Category: 638-07-3

Discovery of the Biginelli hybrids as novel caspase-9 activators in apoptotic machines: Lipophilicity, molecular docking study, influence on angiogenesis gene and miR-21 expression levels was written by Jankovic, Nenad;Trifunovic Ristovski, Jovana;Vranes, Milan;Tot, Aleksandar;Petronijevic, Jelena;Joksimovic, Nenad;Stanojkovic, Tatjana;Djordjic Crnogorac, Marija;Petrovic, Nina;Boljevic, Ivana;Matic, Ivana Z.;Bogdanovic, Goran A.;Mikov, Momir;Bugarcic, Zorica. And the article was included in Bioorganic Chemistry in 2019.Recommanded Product: Ethyl 4-chloro-3-oxobutanoate The following contents are mentioned in the article:

In order to investigate potential therapeutically agents, novel products of Biginelli reaction (4a-l) were synthesized and exposed to cytotoxic and caspase activities, angiogenesis, cell cycle distribution, gene and microRNA expression levels, lipophilicity assessment and docking study. Among the twelve novel compounds (4a-l) evaluated for the cytotoxic activity, five of them (4c, 4d, 4f, 4k and 4l) that showed excellent activity on the tested cell lines (HeLa, LS174 and A549) were selected for further evaluation. Interestingly, compound 4f has up to three times higher selectivity index (SI) towards cancer cells than cisplatin (on HeLa, LS174 and A549 SI = 18.2, 13.5 and 11.2, resp.). The obtained results from cell cycle distribution and caspase activity indicate that tested compounds (4c, 4d, 4f, 4k and 4l) promoted caspase-9 activation, implicated in the intrinsic pathway of apoptosis. Lipophilicity of 4a-l was determinate by using reversed-phase high-performance liquid chromatog. This study involved multiple reactions and reactants, such as Ethyl 4-chloro-3-oxobutanoate (cas: 638-07-3Recommanded Product: Ethyl 4-chloro-3-oxobutanoate).

Ethyl 4-chloro-3-oxobutanoate (cas: 638-07-3) belongs to organic chlorides. Organochlorines are organic compounds having multiple chlorine atoms. They were the first synthetic pesticides that were used in agriculture. They are resistant to most microbial and chemical degradations. Aliphatic organochlorides are often alkylating agents as chlorine can act as a leaving group, which can result in cellular damage.Recommanded Product: Ethyl 4-chloro-3-oxobutanoate

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

Coumarin Grafted Polyethylene Matrix as Colorimetric and Fluorescent Chemosensor for Metal Ions was written by Vonlanthen, Mireille;Rojas-Montoya, Sandra M.;Cuetara-Guadarrama, Fabian;Martinez-Serrano, Ricardo D.;Burillo, Guillermina;Rivera, Ernesto. And the article was included in Macromolecular Chemistry and Physics in 2020.Category: chlorides-buliding-blocks The following contents are mentioned in the article:

A coumarin-based chemosensor is synthesized and grafted onto a polyethylene (PE) surface by means of gamma radiation. The obtained polymeric film results to work as test-paper-like colorimetric sensor for the detection of Cu²⁺ ions. After immersion of the grafted PE film into a solution of Cu²⁺ in chloroform/methanol (8/2), a color change from colorless to green is observed by naked eye together with a quenching of the fluorescence emission. Control experiment with methoxy-grafted PE films shows no response after the immersion in the same Cu²⁺ solution The polymeric sensor can be washed and reused over several cycles for the detection of Cu²⁺. Moreover, the obtained polymeric sensor is used to detect Zn²⁺ by means of photoinduced electron transfer (PET) quenching disrupting mechanism. The fluorescence emission increases about three times after immersion in a solution containing Zn²⁺. A similar behavior is observed in the presence of acidic protons. This study involved multiple reactions and reactants, such as Ethyl 4-chloro-3-oxobutanoate (cas: 638-07-3Category: chlorides-buliding-blocks).

Ethyl 4-chloro-3-oxobutanoate (cas: 638-07-3) belongs to organic chlorides. An organic chloride is an organic compound containing at least one covalently bonded atom of chlorine. Their wide structural variety and divergent chemical properties lead to a broad range of names and applications. Aryl chlorides may be prepared by the Friedel-Crafts halogenation, using chlorine and a Lewis acid catalyst.Category: chlorides-buliding-blocks

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

Potent SARS-CoV-2 mRNA Cap Methyltransferase Inhibitors by Bioisosteric Replacement of Methionine in SAM Cosubstrate was written by Bobileva, Olga;Bobrovs, Raitis;Kanepe, Iveta;Patetko, Liene;Kalnins, Gints;Sisovs, Mihails;Bula, Anna L.;Grinberga, Solveiga;Boroduskis, Martins;Ramata-Stunda, Anna;Rostoks, Nils;Jirgensons, Aigars;Tars, Kaspars;Jaudzems, Kristaps. And the article was included in ACS Medicinal Chemistry Letters in 2021.Electric Literature of C6H9ClO3 The following contents are mentioned in the article:

Viral mRNA cap methyltransferases (MTases) are emerging targets for the development of broad-spectrum antiviral agents. In this work, we designed potential SARS-CoV-2 MTase Nsp14 and Nsp16 inhibitors by using bioisosteric substitution of the sulfonium and amino acid substructures of the cosubstrate S-adenosylmethionine (SAM), which serves as the Me donor in the enzymic reaction. The synthetically accessible target structures were prioritized using mol. docking. Testing of the inhibitory activity of the synthesized compounds showed nanomolar to submicromolar IC₅₀ values for 5 compounds To evaluate selectivity, enzymic inhibition of the human glycine N-methyltransferase involved in cellular SAM/SAH ratio regulation was also determined, which indicated that the discovered compounds are nonselective inhibitors of the studied MTases with slight selectivity for Nsp16. No cytotoxic effects were observed; however, this is most likely a result of the poor cell permeability of all evaluated compounds This study involved multiple reactions and reactants, such as Ethyl 4-chloro-3-oxobutanoate (cas: 638-07-3Electric Literature of C6H9ClO3).

Ethyl 4-chloro-3-oxobutanoate (cas: 638-07-3) belongs to organic chlorides. Chlorination modifies the physical properties of hydrocarbons in several ways. These compounds are typically denser than water due to the higher atomic weight of chlorine versus hydrogen. Alkyl chlorides readily react with amines to give substituted amines. Alkyl chlorides are substituted by softer halides such as the iodide in the Finkelstein reaction.Electric Literature of C6H9ClO3

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

Significantly enhancing the biocatalytic synthesis of chiral alcohols by semi-rationally engineering an anti-Prelog carbonyl reductase from Acetobacter sp. CCTCC M209061 was written by Wei, Ping;Guo, Ze-Wang;Wu, Xiao-Ling;Liang, Shan;Ou, Xiao-Yang;Xu, Pei;Zong, Min-Hua;Yang, Ji-Guo;Lou, Wen-Yong. And the article was included in Molecular Catalysis in 2019.Computed Properties of C6H9ClO3 The following contents are mentioned in the article:

Chiral alcs. and their derivatives are vital building blocks to synthesize pharmaceutical drugs and high-valued chems. Wild-type carbonyl reductase AcCR from Acetobacter sp. has ideal enantioselectivity toward 11 prochiral substrates (e.e.>99%) but poor activity. In this work, a semi-rational engineering was performed to enhance the activity of AcCR. Fortunately, three pos. double-mutants (mut-E144A/G152L, mut-G152L/Y189 N, and mut-I147 V/G152L) with specific activity 17-61 folds higher than that of enzyme without modified were achieved. Kinetic studies suggested that the catalytic efficiencies (k_cat/K_m) of these mutants were also well enhanced. Finally, these modified mut-AcCRs were successfully applied in asym. reductions of 11 structurally diverse prochiral substrates (200 mM) with excellent product yields (76.8%-99.1%) and enantiomeric excess (e.e.>99%), which provides an alternative strategy for efficient synthesis of chiral alcs. for pharmaceuticals industry with ideal yield and enantioselectivity. This study involved multiple reactions and reactants, such as Ethyl 4-chloro-3-oxobutanoate (cas: 638-07-3Computed Properties of C6H9ClO3).

Ethyl 4-chloro-3-oxobutanoate (cas: 638-07-3) belongs to organic chlorides. Organic chlorides can be used in production of: PVC, pesticides, chloromethane, teflon, insulators. The haloform reaction, using chlorine and sodium hydroxide, is also able to generate alkyl halides from methyl ketones, and related compounds. Chloroform was formerly produced thus.Computed Properties of C6H9ClO3

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

Exploring Mitochondria-Mediated Intrinsic Apoptosis by New Phytochemical Entities: An Explicit Observation of Cytochrome c Dynamics on Lung and Melanoma Cancer Cells was written by Arya, Jayadev S.;Joseph, Manu M.;Sherin, Daisy R.;Nair, Jyothi B.;Manojkumar, Thanathu K.;Maiti, Kaustabh K.. And the article was included in Journal of Medicinal Chemistry in 2019.Application of 638-07-3 The following contents are mentioned in the article:

Hydnocarpin (Hy) is a flavonoid isolated and purified from the seeds of Hydnocarpus wightiana Blume. Herein, we have developed a built-in semi-synthetic modification on Hy by one-pot multi-component reaction and a [3 + 2] cycloaddition strategy to append five membered isoxazole and isoxazolone as new phytochem. entities (NPCEs). Two selected NPCEs viz Hy-ISO-VIII and Hy-ISO-G from the library of 20 newly synthesized derivatives after in vitro screening unveiled promising cytotoxicity and induced caspase-mediated apoptosis against the human lung and melanoma cancer cells which were well supported by virtual screening based on ligand binding affinity and mol. dynamic simulations. As a new insight, we introduced surface-enhanced Raman spectroscopy to identify the chemo-marker mol. fingerprint to confirm the cellular uptake, cytochrome c release, and DNA fragmentation in a label-free manner. The present findings throw up a surfeit of seminal reasons behind the semi-synthetic modification of Hy, stepping forward to cancer chemotherapy. This study involved multiple reactions and reactants, such as Ethyl 4-chloro-3-oxobutanoate (cas: 638-07-3Application of 638-07-3).

Ethyl 4-chloro-3-oxobutanoate (cas: 638-07-3) belongs to organic chlorides. Organic chlorides can be used in production of: PVC, pesticides, chloromethane, teflon, insulators. The haloform reaction, using chlorine and sodium hydroxide, is also able to generate alkyl halides from methyl ketones, and related compounds. Chloroform was formerly produced thus.Application of 638-07-3

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

Design, synthesis, and evaluation of novel CXCR4 antagonists based on an aminoquinoline template was written by Lin, Yu;Li, Zhanhui;Xu, Chen;Xia, Kaijiang;Wu, Shuwei;Hao, Yongjin;Yang, Qing;Ma, Haikuo;Zheng, Jiyue;Luo, Lusong;Zhu, Fang;He, Sudan;Zhang, Xiaohu. And the article was included in Bioorganic Chemistry in 2020.Safety of Ethyl 4-chloro-3-oxobutanoate The following contents are mentioned in the article:

The chemokine receptor CXCR4 has been explored as a drug target due to its involvement in pathol. conditions such as HIV infection and cancer metastasis. Here we report the structure-activity relationship study of novel CXCR4 antagonists based on an aminoquinoline template. This template is devoid of the chiral center in the classical tetrahydroquinoline (THQ) ring moiety and therefore can be easily synthesized. A number of potent CXCR4 antagonists were identified, exemplified by compound 3(I), which demonstrated excellent binding affinity with CXCR4 receptor (IC₅₀ = 57 nM) and inhibited CXCL12 induced cytosolic calcium increase (IC₅₀ = 0.24 nM). Furthermore, compound 3 potently inhibited CXLC12/CXCR4 mediated cell migration in a transwell invasion assay. The simplified synthetic approach combined with good physicochem. properties (e.g. MW 362, clogP 2.1, PSA 48, pKa 7.0 for compound 3) demonstrate the potential of this aminoquinoline template as a novel scaffold to develop CXCR4 antagonists. This study involved multiple reactions and reactants, such as Ethyl 4-chloro-3-oxobutanoate (cas: 638-07-3Safety of Ethyl 4-chloro-3-oxobutanoate).

Ethyl 4-chloro-3-oxobutanoate (cas: 638-07-3) belongs to organic chlorides. Chlorinated organic compounds are found in nearly every class of biomolecules and natural products including alkaloids, terpenes, amino acids, flavonoids, steroids, and fatty acids. Aliphatic organochlorides are often alkylating agents as chlorine can act as a leaving group, which can result in cellular damage.Safety of Ethyl 4-chloro-3-oxobutanoate

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

Synthesis and evaluation of RNase L-binding 2-aminothiophenes as anticancer agents was written by Hwang, Jimin;Qiu, Xiaqiu;Borgelt, Lydia;Haacke, Neele;Kanis, Laurin;Petroulia, Stavroula;Gasper, Raphael;Schiller, Damian;Lampe, Philipp;Sievers, Sonja;Imig, Jochen;Wu, Peng. And the article was included in Bioorganic & Medicinal Chemistry in 2022.Category: chlorides-buliding-blocks The following contents are mentioned in the article:

Aminothiophene is a scaffold that is widely present in drugs and biol. active small mols. as chem. probes. In this study, 43 compounds sharing a 2-aminothiophenone-3-carboxylate (ATPC) scaffold, known to activate the RNase L (RNase L), were synthesized and selected ATPCs showed enhancement of thermal stability of RNase L upon binding. Screening of antiproliferation activities against human cancer cell lines revealed that ATPCs represented by compounds 4l and 50 showed potent single-digit micromolar antiproliferation activity against human cancer cell lines. Compounds 4l and 50 exhibited time- and dose-dependent proliferation inhibition, induced cellular apoptosis measured by cleaved PARP and via flow cytometry, inhibited cell migration, and inhibited cell colony formation. Combining the results reported in this work, ATPCs were evaluated as potential anticancer agents mediated by RNase L-binding and apoptosis induction. The work contributes to the study on the polypharmacol. properties of aminothiophene-containing small mols. This study involved multiple reactions and reactants, such as Ethyl 4-chloro-3-oxobutanoate (cas: 638-07-3Category: chlorides-buliding-blocks).

Ethyl 4-chloro-3-oxobutanoate (cas: 638-07-3) belongs to organic chlorides. Organic chlorides are compounds containing a carbon-chlorine bond, which are widely used in the oil field as a wax dissolver. Alkyl chlorides are versatile building blocks in organic chemistry. While alkyl bromides and iodides are more reactive, alkyl chlorides tend to be less expensive and more readily available.Category: chlorides-buliding-blocks

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

Optimization of P2Y₁₂ Antagonist Ethyl 6-(4-((Benzylsulfonyl)carbamoyl)piperidin-1-yl)-5-cyano-2-methylnicotinate (AZD1283) Led to the Discovery of an Oral Antiplatelet Agent with Improved Druglike Properties was written by Kong, Deyu;Xue, Tao;Guo, Bin;Cheng, Jianjun;Liu, Shunyin;Wei, Jianhai;Lu, Zhengyu;Liu, Haoran;Gong, Guoqing;Lan, Tian;Hu, Wenhao;Yang, Yushe. And the article was included in Journal of Medicinal Chemistry in 2019.Application of 638-07-3 The following contents are mentioned in the article:

P2Y₁₂ antagonists are widely used as antiplatelet agents for the prevention and treatment of arterial thrombosis. Based on the scaffold of a known P2Y₁₂ antagonist AZD1283 (I), a series of novel bicyclic pyridine derivatives were designed and synthesized. The cyclization of the ester substituent on the pyridine ring to the ortho-Me group led to lactone analogs of AZD1283 that showed significantly enhanced metabolic stability in subsequent structure-pharmacokinetic relationship studies. The metabolic stability was further enhanced by adding a 4-Me substituent to the piperidinyl moiety. Compound II displayed potent inhibition of platelet aggregation in vitro as well as antithrombotic efficacy in a rat ferric chloride model. Moreover, II showed a safety profile that was superior to what was observed for clopidogrel in a rat tail-bleeding model. These results support the further evaluation of compound II as a promising drug candidate. This study involved multiple reactions and reactants, such as Ethyl 4-chloro-3-oxobutanoate (cas: 638-07-3Application of 638-07-3).

Ethyl 4-chloro-3-oxobutanoate (cas: 638-07-3) belongs to organic chlorides. Chlorination modifies the physical properties of hydrocarbons in several ways. These compounds are typically denser than water due to the higher atomic weight of chlorine versus hydrogen. Alkyl chlorides readily react with amines to give substituted amines. Alkyl chlorides are substituted by softer halides such as the iodide in the Finkelstein reaction.Application of 638-07-3

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

A New Discovery towards Novel Skeleton of Benzimidazole-Conjugated Pyrimidinones as Unique Effective Antibacterial Agents was written by Yang, Xi;Syed, Rasheed;Fang, Bo;Zhou, Cheng-He. And the article was included in Chinese Journal of Chemistry in 2022.Safety of Ethyl 4-chloro-3-oxobutanoate The following contents are mentioned in the article:

A class of new potential antibacterial agents with distinctive pyrimidinone benzimidazole skeleton was developed through nucleophilic substitution and Biginelli reaction starting from urea, Et 4-chloroacetoacetate and various aldehydes. Some target mols. exhibited strong antibacterial activities, especially pyrimidinone benzimidazole hybrid 9e possessed the strongest inhibitory effects on the growth of E. faecalis and P. aeruginosa with a lower MIC value of 1 μg/mL than norfloxacin. Moreover, compound 9e displayed strong antibiofilm capacity, low drug resistance and excellent biosafety toward human red blood cells. Further research revealed that compound 9e could disrupt membrane integrity and cause leakage of cellular components such as proteins and nucleic acids. Meanwhile, compound 9e could decrease lactate dehydrogenase activity, block cell metabolism and interact with DNA in an intercalation manner. ADMET anal. predicated that mol. 9e possessed promising pharmacokinetic properties and good bioavailability profile. This study involved multiple reactions and reactants, such as Ethyl 4-chloro-3-oxobutanoate (cas: 638-07-3Safety of Ethyl 4-chloro-3-oxobutanoate).

Ethyl 4-chloro-3-oxobutanoate (cas: 638-07-3) belongs to organic chlorides. Chlorination modifies the physical properties of hydrocarbons in several ways. These compounds are typically denser than water due to the higher atomic weight of chlorine versus hydrogen. Alkanes and aryl alkanes may be chlorinated under free radical conditions, with UV light. However, the extent of chlorination is difficult to control.Safety of Ethyl 4-chloro-3-oxobutanoate

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

Identification of Mineralocorticoid Receptor Modulators with Low Impact on Electrolyte Homeostasis but Maintained Organ Protection was written by Granberg, Kenneth L.;Yuan, Zhong-Qing;Lindmark, Bo;Edman, Karl;Kajanus, Johan;Hogner, Anders;Malmgren, Marcus;OMahony, Gavin;Nordqvist, Anneli;Lindberg, Jan;Taangefjord, Stefan;Kossenjans, Michael;Loefberg, Christian;Braanalt, Jonas;Liu, Dongmei;Selmi, Nidhal;Nikitidis, Grigorios;Nordberg, Peter;Hayen, Ahlke;Aagaard, Anna;Hansson, Eva;Hermansson, Majlis;Ivarsson, Ida;Jansson-Loefmark, Rasmus;Karlsson, Ulla;Johansson, Ulrika;William-Olsson, Lena;Hartleib-Geschwindner, Judith;Bamberg, Krister. And the article was included in Journal of Medicinal Chemistry in 2019.HPLC of Formula: 638-07-3 The following contents are mentioned in the article:

The mechanism-based risk for hyperkalemia has limited the use of mineralocorticoid receptor antagonists (MRAs) like eplerenone in cardio-renal diseases. Here the authors describe the structure and property driven lead generation and optimization, which resulted in identification of MR modulators (S)-1 and (S)-33. Both compounds were partial MRAs but still demonstrated equally efficacious organ protection as eplerenone after four weeks treatment in uninephrectomized rats on high salt diet and aldosterone infusion. Importantly, and in sharp contrast to eplerenone, this was achieved without substantial changes to the urine Na⁺/K⁺ ratio after acute treatment in rat, which predicts a reduced risk for hyperkalemia. This work led to selection of (S)-1 (AZD9977) as the clin. candidate for treating MR-mediated cardio-renal diseases including CKD and HF. Based on the authors’ findings the authors propose an empirical model for prediction of compounds with low risk of affecting the urinary Na⁺/K⁺ ratio in vivo. This study involved multiple reactions and reactants, such as Ethyl 4-chloro-3-oxobutanoate (cas: 638-07-3HPLC of Formula: 638-07-3).

Ethyl 4-chloro-3-oxobutanoate (cas: 638-07-3) belongs to organic chlorides. Organic chlorides can be used in production of: PVC, pesticides, chloromethane, teflon, insulators. Aryl chlorides may be prepared by the Friedel-Crafts halogenation, using chlorine and a Lewis acid catalyst.HPLC of Formula: 638-07-3

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