Properties and Exciting Facts About C7H4Cl2O2

About 2,4-Dichlorobenzoic acid, If you have any questions, you can contact Zhang, B; Dou, ZD; Xiong, Z; Wang, N; He, S; Yan, XJ; Jin, HX or concate me.. Quality Control of 2,4-Dichlorobenzoic acid

Recently I am researching about DNA-BINDING; ACRIDONE DERIVATIVES; ANTICANCER; INHIBITORS, Saw an article supported by the National Key Research and Development Program of China [2018YFC0310900]; National Natural Science Foundation of ChinaNational Natural Science Foundation of China (NSFC) [81850410553, 41776168]; Natural Science Foundation of Ningbo City [2018A610410]; Foundation of Ningbo University [XYL18004]; National 111 Project of ChinaMinistry of Education, China – 111 Project [D16013]; Li Dak Sum Yip Yio Chin Kenneth Li Marine Biopharmaceutical Development Fund; K.C. Wong Magna Fund in Ningbo University. Quality Control of 2,4-Dichlorobenzoic acid. Published in PERGAMON-ELSEVIER SCIENCE LTD in OXFORD ,Authors: Zhang, B; Dou, ZD; Xiong, Z; Wang, N; He, S; Yan, XJ; Jin, HX. The CAS is 50-84-0. Through research, I have a further understanding and discovery of 2,4-Dichlorobenzoic acid

A series of novel N-phenylbenzamide-4-methylamine acridine derivatives were designed and synthesized based initially on the structure of amsacrine (m-AMSA). Molecular docking suggested that the representative compound 9a had affinity for binding DNA topoisomerase (Topo) II, which was comparable with that of m-AMSA, and furthermore that 9a could have preferential interactions with Topo I. After synthesis of 9a and analogues 9b-9f, these were all tested in vitro and the synthesized compounds displayed potent antiproliferative activity against three different cancer cell lines (K562, CCRF-CEM and U937). Among them, compounds 9b, 9c and 9d exhibiting the highest activity with IC50 value ranging from 0.82 to 0.91 mu M against CCRF-CEM cells. In addition, 9b and 9d also showed high antiproliferative activity against U937 cells, with IC50 values of 0.33 and 0.23 mu M, respectively. The pharmacological mechanistic studies of these compounds were evaluated by Topo I/II inhibition, western blot assay and cell apoptosis detection. In summary, 9b effectively inhibited the activity of Topo I/II and induced DNA damage in CCRF-CEM cells and, moreover, significantly induced cell apoptosis in a concentration-dependent manner. These observations provide new information and guidance for the structural optimization of more novel acridine derivatives.

About 2,4-Dichlorobenzoic acid, If you have any questions, you can contact Zhang, B; Dou, ZD; Xiong, Z; Wang, N; He, S; Yan, XJ; Jin, HX or concate me.. Quality Control of 2,4-Dichlorobenzoic acid

Reference:
Chloride – Wikipedia,
,Chlorides – an overview | ScienceDirect Topics

Chemical Research in 2,4-Dichlorobenzoic acid

Category: chlorides-buliding-blocks. About 2,4-Dichlorobenzoic acid, If you have any questions, you can contact Ambika, VR; Jayalakshmi, D; Narendran, K; Athimoolam, S; Valan, MF; Kamalarajan, P; Ahamed, JI or concate me.

Category: chlorides-buliding-blocks. Authors Ambika, VR; Jayalakshmi, D; Narendran, K; Athimoolam, S; Valan, MF; Kamalarajan, P; Ahamed, JI in ELSEVIER published article about in [Ambika, V. Revathi; Jayalakshmi, D.] Queen Marys Coll, PG & Res Dept Phys, Chennai 600004, Tamil Nadu, India; [Narendran, K.] Saveetha Engn Coll, Dept Chem, Chennai 602105, Tamil Nadu, India; [Athimoolam, S.] Anna Univ, Dept Phys, Univ Coll Engn, Konam 629004, Nagercoil, India; [Valan, M. F.; Kamalarajan, P.; Ahamed, J. Irshad] Univ Madras, Dept Chem, LIFE Loyola Inst Frontier Energy, Loyola Coll, Chennai 600034, Tamil Nadu, India; [Ahamed, J. Irshad] Amity Univ, Amity Inst Click Chem Res & Studies AICCRS, Noida 201303, India in 2021, Cited 103. The Name is 2,4-Dichlorobenzoic acid. Through research, I have a further understanding and discovery of 50-84-0

A novel third-nonlinear optical (NLO) crystal, piperazine-1,4-diium bis(2,4-dichlorobenzoate) (abbreviated as PBDCB) was successfully synthesized and grown good quality crystal by slow evaporation solution growth technique by methanol as a solvent at room temperature. The formation of the grown crystal was carried out by single-crystal X-ray diffraction analysis. The analysis of a single crystal X-ray diffraction reveals that the title compound was crystallized in the monoclinic system with centrosymmetric space group P21/c and thereof lattice parameter are a = 11.166(6) angstrom, b = 8.160(5) angstrom, c = 12.085(6) angstrom, beta= 113.18(3) degrees, Z = 4. Crystallographic studies also reveal that the molecules are linked via N-HO and C-H Cl hydrogen bonds. Pairs of intermolecular N-HO hydrogen bonds generate R 4 4 (12) ring motifs. The powder X-ray diffraction study was completed and the peaks were indexed. UV-Vis spectral studies were revealed that the grown crystal is transparent in the entire visible region with a lower cut off the wavelength of 286 nm. The optical band gap of the title compound was measured by Tauc’s plot method, and it was obtained to be 3.9 eV, which shows suitable applications of the optoelectronic device. In the photoluminescence study, the grown crystal was revealed violet emission radiation, and thereof peak has appeared at 312 nm. The functional groups of the grown crystal have been determined by Fourier Transform Infra-Red (FTIR) spectroscopy technique. In thermogravimetric (TGA) and differential thermal analysis (DTA) analysis, the title material was determined as thermally as stable up to 163 degrees C. The Vickers Microhardness test ascertained the mechanical properties of the grown crystal material, and it belongs to a soft material category. The dielectric measurements of the developed crystal material were also ascertained at various frequencies. The dielectric constant, dielectric loss, and A.C. the conductivity of title material was studied with different frequencies and temperatures. The laser damage threshold (LDT) of the grown crystal was then calculated by using Nd: YAG laser. The grown crystal has given the measured (LDT) value of 8.97 GW/cm2. The third-order nonlinear optical (NLO) properties characteristics, such as absorption coefficient (beta similar to 0.02 x 10 -4 cm/W), the refractive index (n(2) similar to 4.06 x 10(-8) cm(2)/W), and their susceptibility range values of (chi((3)) similar to 2.17 x 10(-6)esu) of the grown crystal was estimated by Z-scan technique, suggests that the grown crystal material PBDCB was served as a promising source for nonlinear optical devices. (C) 2020 Elsevier B.V. All rights reserved.

Category: chlorides-buliding-blocks. About 2,4-Dichlorobenzoic acid, If you have any questions, you can contact Ambika, VR; Jayalakshmi, D; Narendran, K; Athimoolam, S; Valan, MF; Kamalarajan, P; Ahamed, JI or concate me.

Reference:
Chloride – Wikipedia,
,Chlorides – an overview | ScienceDirect Topics

The Shocking Revelation of 50-84-0

Formula: C7H4Cl2O2. About 2,4-Dichlorobenzoic acid, If you have any questions, you can contact Yazdani, E; Heydari, A or concate me.

Recently I am researching about OXIDANT-FREE DEHYDROGENATION; FERRITE NANOPARTICLES; N-ALKYLATION; AMINES; CONVERSION; COMPLEXES; EFFICIENT; SALTS; WATER; H-2, Saw an article supported by the Tarbiat Modares University. Formula: C7H4Cl2O2. Published in ELSEVIER SCIENCE SA in LAUSANNE ,Authors: Yazdani, E; Heydari, A. The CAS is 50-84-0. Through research, I have a further understanding and discovery of 2,4-Dichlorobenzoic acid

A novel silver nano magnetic catalyst was devised for dehydrogenative oxidation of aromatic and aliphatic alcohols to the corresponding acid with water as the sole oxygen source and hydrogen gas as the only byproduct. The designed catalytic system advantages from easy recovery of magnetic materials i.e. magnetic decantation, being economically viable and environmentally friendly. Furthermore, the catalytic reaction is able to reduce aryl nitro compounds in the absence of any reducing agent. (C) 2020 Elsevier B.V. All rights reserved.

Formula: C7H4Cl2O2. About 2,4-Dichlorobenzoic acid, If you have any questions, you can contact Yazdani, E; Heydari, A or concate me.

Reference:
Chloride – Wikipedia,
,Chlorides – an overview | ScienceDirect Topics

Machine Learning in Chemistry about C7H4Cl2O2

About 2,4-Dichlorobenzoic acid, If you have any questions, you can contact Thakral, S; Singh, V or concate me.. Quality Control of 2,4-Dichlorobenzoic acid

An article 2,4-Dichloro-5-[(N-aryl/alkyl)sulfamoyl]benzoic Acid Derivatives: In Vitro Antidiabetic Activity, Molecular Modeling and In silico ADMET Screening WOS:000458408600007 published article about GLUCOSIDASE INHIBITORY-ACTIVITY; ALPHA-GLUCOSIDASE; BIOLOGICAL EVALUATION; BENZOTHIAZOLE DERIVATIVES; SULFONAMIDE; DOCKING; AMYLASE; BENZENESULFONAMIDE; AGENTS; POTENT in [Thakral, Samridhi; Singh, Vikramjeet] Guru Jambheshwar Univ Sci & Technol, Dept Pharmaceut Sci, Hisar 125001, Haryana, India in 2019, Cited 55. The Name is 2,4-Dichlorobenzoic acid. Through research, I have a further understanding and discovery of 50-84-0. Quality Control of 2,4-Dichlorobenzoic acid

Background: Postprandial hyperglycemia can be reduced by inhibiting major carbohydrate hydrolyzing enzymes, such as alpha-glucosidase and alpha-amylase which is an effective approach in both preventing and treating diabetes. Objective: The aim of this study was to synthesize a series of 2,4-dichloro-5-[(N-and/alkyl)sulfamoyl]benzoic acid derivatives and evaluate alpha-glucosidase and alpha-amylase inhibitory activity along with molecular docking and in silico ADMET property analysis. Method: Chlorosulfonation of 2,4-dichloro benzoic acid followed by reaction with corresponding anilines/amines yielded 2,4-dichloro-5-[(N-aryl/alkyl)sulfamoyl]benzoic acid derivatives. For evaluating their antidiabetic potential alpha-glucosidase and alpha-amylase inhibitory assays were carried out. In silico molecular docking studies of these compounds were performed with respect to these enzymes and a computational study was also carried out to predict the drug-likeness and ADMET properties of the title compounds. Results: Compound 3c (2,4-clichloro-5-[(2-nitrophenyl)sulfamoyl]benzoic acid) was found to be highly active having 3 fold inhibitory potential against alpha-amylase and 5 times inhibitory activity against alpha-glucosidase in comparison to standard drug acarbose. Conclusion: Most of the synthesized compounds were highly potent or equipotent to standard drug acarbose for inhibitory potential against alpha-glucosidase and alpha-amylase enzyme and hence this may indicate their antidiabetic activity. The docking study revealed that these compounds interact with active site of enzyme through hydrogen bonding and different pi interactions.

About 2,4-Dichlorobenzoic acid, If you have any questions, you can contact Thakral, S; Singh, V or concate me.. Quality Control of 2,4-Dichlorobenzoic acid

Reference:
Chloride – Wikipedia,
,Chlorides – an overview | ScienceDirect Topics

Downstream Synthetic Route Of 87-63-8

Recommanded Product: 87-63-8. About 2-Chloro-6-methylaniline, If you have any questions, you can contact Ye, TY; Han, YF; Wang, RX; Yan, PZ; Chen, SW; Hou, YL; Zhao, YF or concate me.

Authors Ye, TY; Han, YF; Wang, RX; Yan, PZ; Chen, SW; Hou, YL; Zhao, YF in ACADEMIC PRESS INC ELSEVIER SCIENCE published article about I PI3 KINASE; INHIBITORS; IDENTIFICATION; SAR; THIENOPYRIMIDINE; DISCOVERY in [Ye, Tianyu; Han, Yufei; Wang, Ruxin; Yan, Pingzhen; Chen, Shaowei; Hou, Yunlei; Zhao, Yanfang] Shenyang Pharmaceut Univ, Sch Pharmaceut Engn, 103 Wenhua Rd, Shenyang 110016, Peoples R China in 2020, Cited 30. Recommanded Product: 87-63-8. The Name is 2-Chloro-6-methylaniline. Through research, I have a further understanding and discovery of 87-63-8

To develop novel therapeutic agents with anticancer activities, two series of novel 2,4-bismorpholinyl-thieno [3,2-d]pyrimidine and 2-morpholinothieno[3,2-d]pyrimidinone derivatives were designed, synthesized and evaluated for their biological activities. Among them, compound A(12) showed the most potent antitumor activities against HCT116, PC-3, MCF-7, A549 and MDA-MB-231 cell lines with IC50 values of 3.24 mu M, 14.37 mu M, 7.39 mu M, 7.10 mu M, and 16.85 mu M, respectively. Further explorations in bioactivity were conducted to clarify the anticancer mechanism of compound A(12). The results showed that compound A(12) obviously inhibited the proliferation of A549 cell lines and decreased mitochondrial membrane potential, which led to the apoptosis of cancer cells and suppressed the migration of tumor cells.

Recommanded Product: 87-63-8. About 2-Chloro-6-methylaniline, If you have any questions, you can contact Ye, TY; Han, YF; Wang, RX; Yan, PZ; Chen, SW; Hou, YL; Zhao, YF or concate me.

Reference:
Patent; ASTRAZENECA AB; NPS PHARMACEUTICALS, INC.; WO2006/20879; (2006); A1;,
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Chemical Properties and Facts of C7H4Cl2O2

About 2,4-Dichlorobenzoic acid, If you have any questions, you can contact Reddy, MLC; Khan, FRN; Saravanan, V or concate me.. Name: 2,4-Dichlorobenzoic acid

In 2019 ORG BIOMOL CHEM published article about METAL-FREE SYNTHESIS; ONE-POT SYNTHESIS; SELECTIVE INHIBITORS; COPPER; 1,2,4-OXADIAZOLES; ARYLATION; DESIGN; MILD; DISCOVERY; LIGANDS in [Reddy, Chenna M. L.; Saravanan, Vadivelu] Jubilant Biosys Ltd, Med Chem, 96 Ind Suburb,2nd Stage, Bangalore 560022, Karnataka, India; [Reddy, Chenna M. L.; Khan, Faztur Rahman Nawaz] VIT, Dept Chem, SAS, Vellore 632014, Tamil Nadu, India in 2019, Cited 101. The Name is 2,4-Dichlorobenzoic acid. Through research, I have a further understanding and discovery of 50-84-0. Name: 2,4-Dichlorobenzoic acid

A divergent approach has been successfully developed for the synthesis of N-1,2,4-oxadiazole substituted sulfoximines starting from N-cyano sulfoximines. This method has a wide degree of substrate scope that includes aryl, heteroaryl, alkyl, fluoroalkyl and saturated heterocyclic compounds. Excellent functional group tolerability was also observed. Extension of this methodology to nucleosides, amino acids and dipeptides was found to be successful. A gram scale reaction was also established. The major part of this method is metal free and the utility of environmentally friendly solvents such as 2-methyl THF and ionic liquids is an added advantage.

About 2,4-Dichlorobenzoic acid, If you have any questions, you can contact Reddy, MLC; Khan, FRN; Saravanan, V or concate me.. Name: 2,4-Dichlorobenzoic acid

Reference:
Chloride – Wikipedia,
,Chlorides – an overview | ScienceDirect Topics

Get Up to Speed Quickly on Emerging Topics:2,4-Dichlorobenzoic acid

About 2,4-Dichlorobenzoic acid, If you have any questions, you can contact Khalil, A; Jaradat, N; Hawash, M; Issa, L or concate me.. Safety of 2,4-Dichlorobenzoic acid

Safety of 2,4-Dichlorobenzoic acid. Authors Khalil, A; Jaradat, N; Hawash, M; Issa, L in SPRINGER HEIDELBERG published article about in [Khalil, Amjad] King Fahad Univ Petr & Minerals, Dept Life Sci, Dhahran, Saudi Arabia; [Jaradat, Nidal; Hawash, Mohammed; Issa, Linda] An Najah Natl Univ, Fac Med & Hlth Sci, Dept Pharm, POB 7, Nablus 00970, Palestine in 2021, Cited 30. The Name is 2,4-Dichlorobenzoic acid. Through research, I have a further understanding and discovery of 50-84-0

The 1,3-benzodioxol moiety present in safrole, apiole, and myristicin essential oils and benzodioxol derivatives have shown a wide range of biological activities including antiepileptic, analgesic, antituberculosis, and antimicrobial potentials. Here, we have tested the antibacterial and antioxidant activities of a series of benzodioxol derivatives. Twelve compounds of aryl acetate and acetic acid benzodioxol were evaluated against different types of bacterial strains, including Staphylococcus aureus, Escherichia coli, Enterococcus faecalis, and Pseudomonas aeruginosa using the broth dilution method, and the most potent compound was 3e, which exhibited the bacterial growth of with MICs of 125 (S. aureus), 250 (E. coli), 220 (E. faecalis), and 100 mu g/mL (P. aeruginosa). Our positive control, cinoxacin, had MICs of 250 (S. aureus), 250 (E. coli), 250 (E. faecalis), and 500 mu g/mL (P. aeruginosa). Antioxidant activity was evaluated for the synthesized compounds utilizing the DPPH assay. The 3a compound was the most active with an IC50 value of 21.44 mu g/mL, while the IC50 values of compounds 3b, 3e, and 3f were 96.07, 58.45, and 72.17 mu g/mL, respectively. In contrast, all compounds with the acetic acid functional group had weaker activity, with an IC50 range of 193.52-289.78 mu g/mL compared with the potent antioxidant agent Trolox (IC50 = 1.93 mu g/mL). In the present paper, new benzodioxol-based aryl acetate and acetic acid derivatives were evaluated for their antibacterial and antioxidant activities. The outcomes revealed that the antibacterial and antioxidant properties of some of the synthesized benzodioxol aryl acetate and acetic acid derivatives can be considered as valuable materials for the pharmaceutical industry. Thus, these molecules should be further evaluated in vivo as lead compounds for the discovery of new drug candidates.

About 2,4-Dichlorobenzoic acid, If you have any questions, you can contact Khalil, A; Jaradat, N; Hawash, M; Issa, L or concate me.. Safety of 2,4-Dichlorobenzoic acid

Reference:
Chloride – Wikipedia,
,Chlorides – an overview | ScienceDirect Topics

Awesome and Easy Science Experiments about C7H4Cl2O2

Safety of 2,4-Dichlorobenzoic acid. About 2,4-Dichlorobenzoic acid, If you have any questions, you can contact Zhou, JS; Lou, ZM; Yang, KL; Xu, J; Li, YZ; Liu, YL; Baig, SA; Xu, XH or concate me.

In 2019 APPL CATAL B-ENVIRON published article about 2,4-DICHLOROPHENOXYACETIC ACID; REDUCTIVE DECHLORINATION; ELECTROCHEMICAL PROCESS; WASTE-WATER; HYDRODECHLORINATION; REMOVAL; PARTICLES; EFFICIENT; IRON; PERFORMANCE in [Zhou, Jiasheng; Lou, Zimo; Yang, Kunlun; Li, Yizhou; Liu, Yuanli; Xu, Xinhua] Zhejiang Univ, Dept Environm Engn, Coll Environm & Resource Sci, Hangzhou 310058, Zhejiang, Peoples R China; [Lou, Zimo; Xu, Jiang] Carnegie Mellon Univ, Dept Civil & Environm Engn, Pittsburgh, PA 15213 USA; [Baig, Shams Ali] Abdul Wali Khan Univ, Dept Environm Sci, Mardan 23200, Pakistan in 2019, Cited 52. The Name is 2,4-Dichlorobenzoic acid. Through research, I have a further understanding and discovery of 50-84-0. Safety of 2,4-Dichlorobenzoic acid

In the present study, carbon black (CB), multi walled carbon nanotubes (MWCNTs), and granular activated carbon (GAC) were employed to support palladium (Pd) catalyst. The prepared Pd/CB, Pd/MWCNTs and Pd/GAC moveable catalysts were aimed to address the common issues (easy loss of catalyst and poor long-term performance) of normal fixed catalysts. The results of various characterizations (e.g., TEM, XRD, and XPS) clearly show that the Pd nanopartides were successfully loaded onto the carbon-supports, especially CB and MWCNTs. And more importantly, the morphologies, Pd distribution, and chemical structure of these moveable catalysts were almost not changed after 3 h reaction. The moveable Pd/CB, Pd/MWCNTs, and Pd/GAC catalysts had good reactivity for 2,4-dichlorobenzoic acid (2,4-DCBA) dechlorination, and Pd/CB exhibited the best performance. The Pd/CB also shows the best adsorption capacity of 2,4-DCBA and dechlorination product (benzoic acid, BA), and the adsorption of BA was significantly inhibited in the presence of current due to the repulsion between the both negatively charged compounds and adsorbents. The removal of 2,4-DCBA and the generation rate of BA was improved with a pre-adsorption process, which was a promising strategy with higher dechlorination rate and shortened electrolysis time. Moreover, the loss of Pd catalyst was negligible during the 10 consecutive cycles experiment, and the improved longevity could be expected. These results suggested the good reactivity, stability, and reusability of moveable Pd/CB catalyst.

Safety of 2,4-Dichlorobenzoic acid. About 2,4-Dichlorobenzoic acid, If you have any questions, you can contact Zhou, JS; Lou, ZM; Yang, KL; Xu, J; Li, YZ; Liu, YL; Baig, SA; Xu, XH or concate me.

Reference:
Chloride – Wikipedia,
,Chlorides – an overview | ScienceDirect Topics

Extended knowledge of C7H7Cl

Category: chlorides-buliding-blocks. About 1-Chloro-2-methylbenzene, If you have any questions, you can contact Breitner, LN; Howe, KJ; Minakata, D or concate me.

I found the field of Engineering; Environmental Sciences & Ecology very interesting. Saw the article Effect of Functional Chemistry on the Rejection of Low-Molecular Weight Neutral Organics through Reverse Osmosis Membranes for Potable Reuse published in 2019. Category: chlorides-buliding-blocks, Reprint Addresses Howe, KJ (corresponding author), Univ New Mexico, Civil Construct & Environm Engn, Albuquerque, NM 87131 USA.. The CAS is 95-49-8. Through research, I have a further understanding and discovery of 1-Chloro-2-methylbenzene

Potable reuse facilities must be designed and operated to minimize the presence of contaminants of emerging concern (CECs) and other trace organics in the product water. Reverse osmosis (RO) is incorporated into the process train of many potable reuse facilities and has been demonstrated to achieve excellent removal of many, but not all, organic compounds. Organics that may be poorly removed by RO include low-molecular weight (MW) neutral compounds. This laboratory study examined the rejection of 73 low-MW neutral organics through a commercial RO membrane that is commonly used in potable reuse applications. The organics were selected using a reductionist approach so that the effect of individual functional groups on rejection could be ascertained. The research demonstrated that halogens, carbonyl functional groups, C=C double bonds, and aromaticity decrease rejection, that methyl and hydroxyl functional groups increase rejection, and that the position of functional groups in structural isomers has a significant effect on rejection. The results help explain the discrepancies and inconsistencies in RO rejection of neutral organics that are observed when considered from the conventional perspective of molecular size and hydrophobicity.

Category: chlorides-buliding-blocks. About 1-Chloro-2-methylbenzene, If you have any questions, you can contact Breitner, LN; Howe, KJ; Minakata, D or concate me.

Reference:
Patent; Nanjing Zhongteng Chemical Co., Ltd.; Zhong Hua; Lu Minshan; Chen Xiuzhen; Liu Qiaobao; Yin Hengbo; Wang Aili; (8 pag.)CN104876790; (2017); B;,
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Get Up to Speed Quickly on Emerging Topics:2-Chloro-6-methylaniline

About 2-Chloro-6-methylaniline, If you have any questions, you can contact Sydow, D; Schmiel, P; Mortier, J; Volkamer, A or concate me.. Formula: C7H8ClN

In 2020 J CHEM INF MODEL published article about MEDICINAL CHEMISTRY; PROTEIN-KINASES; DRUG DISCOVERY; DESIGN; POWERFUL; DATABASE; MUTANT; KLIFS in [Sydow, Dominique; Schmiel, Paula; Volkamer, Andrea] Charite, Inst Physiol, Silico Toxicol & Struct Bioinformat, D-10117 Berlin, Germany; [Mortier, Jeremie] Bayer AG, Digital Technol Computat Mol Design, D-13342 Berlin, Germany in 2020, Cited 49. The Name is 2-Chloro-6-methylaniline. Through research, I have a further understanding and discovery of 87-63-8. Formula: C7H8ClN

Protein kinases play a crucial role in many cell signaling processes, making them one of the most important families of drug targets. In this context, fragment-based drug design strategies have been successfully applied to develop novel kinase inhibitors. These strategies usually follow a knowledge-driven approach to optimize a focused set of fragments to a potent kinase inhibitor. Alternatively, KinFragLib explores and extends the chemical space of kinase inhibitors using data-driven fragmentation and recombination. The method builds on available structural kinome data from the KLIFS database for over 2500 kinase DFG-in structures cocrystallized with noncovalent kinase ligands. The computational fragmentation method splits the ligands into fragments with respect to their 3D proximity to six predefined functionally relevant subpocket centers. The resulting fragment library consists of six subpocket pools with over 7000 fragments, available at https://github.com/volkamerlab/KinFragLib. KinFragLib offers two main applications: on the one hand, in-depth analyses of the chemical space of known kinase inhibitors, subpocket characteristics, and connections, and on the other hand, subpocket-informed recombination of fragments to generate potential novel inhibitors. The latter showed that recombining only a subset of 624 representative fragments generated 6.7 million molecules. This combinatorial library contains, besides some known kinase inhibitors, more than 99% novel chemical matter compared to ChEMBL and 63% molecules compliant with Lipinski’s rule of five.

About 2-Chloro-6-methylaniline, If you have any questions, you can contact Sydow, D; Schmiel, P; Mortier, J; Volkamer, A or concate me.. Formula: C7H8ClN

Reference:
Patent; ASTRAZENECA AB; NPS PHARMACEUTICALS, INC.; WO2006/20879; (2006); A1;,
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics