Category: 3696-23-9

Rothweiler, Ulli published the artcileProbing the ATP-Binding Pocket of Protein Kinase DYRK1A with Benzothiazole Fragment Molecules, Product Details of C7H7ClN2S, the publication is Journal of Medicinal Chemistry (2016), 59(21), 9814-9824, database is CAplus and MEDLINE.

DYRK1A has emerged as a potential target for therapies of Alzheimer’s disease using small mols. Based on the observation of selective DYRK1A inhibition by firefly D-luciferin, we have explored static and dynamic structural properties of fragment sized variants of the benzothiazole scaffold with respect to DYRK1A using X-ray crystallog. and NMR techniques. The compounds have excellent ligand efficiencies and show a remarkable diversity of binding modes in dynamic equilibrium Binding geometries are determined in part by interactions often considered “weak”, including “orthogonal multipolar” types represented by e.g. F-CO, sulfur-aromat, and halogen-aromat interactions, together with hydrogen bonds that are modulated by variation of electron withdrawing groups. These studies show how the benzothiazole scaffold is highly promising for the development of therapeutic DYRK1A inhibitors. In addition, the subtleties of the binding interactions, including dynamics, show how full structural studies are required to fully interpret the essential phys. determinants of binding.

Journal of Medicinal Chemistry published new progress about 3696-23-9. 3696-23-9 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Thiourea,Amine,Benzene,Amide, name is 1-(4-Chlorophenyl)thiourea, and the molecular formula is C7H7ClN2S, Product Details of C7H7ClN2S.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Salvino, Joseph M. published the artcileNovel small molecule guanidine Sigma1 inhibitors for advanced prostate cancer, Related Products of chlorides-buliding-blocks, the publication is Bioorganic & Medicinal Chemistry Letters (2017), 27(10), 2216-2220, database is CAplus and MEDLINE.

Prostate cancer is the most frequently diagnosed malignancy and the leading cause of cancer related death in men. First line therapy for disseminated disease relies on androgen deprivation, leveraging the addiction of these tumors on androgens for both growth and survival. Treatment typically involves antagonizing the androgen receptor (AR) or blocking the synthesis of androgens. Recurrence is common and within 2-3 years patients develop castration resistant tumors that become unresponsive to AR-axis targeted therapies. To provide a more effective treatment, the authors are utilizing an approach that targets a key scaffolding protein, Sigma1 (also known as sigma-1 receptor), a unique 26-kDa integral membrane protein that is critical in stabilizing the AR. Herein the authors report on a new series of Sigma1 compounds for lead optimization derived from a hybrid pharmacophore approach.

Bioorganic & Medicinal Chemistry Letters published new progress about 3696-23-9. 3696-23-9 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Thiourea,Amine,Benzene,Amide, name is 1-(4-Chlorophenyl)thiourea, and the molecular formula is C7H7ClN2S, Related Products of chlorides-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Diwakar, Kirti published the artcileFacile synthesis, molecular docking and toxicity studies of 4-Phenyl-3-phenylamino-4H-[1,2,4]thiadiazol-5-one analogs as GABA_A receptor agonists, Product Details of C7H7ClN2S, the publication is Medicinal Chemistry Research (2016), 25(11), 2631-2642, database is CAplus.

A series of thiadiazol-5-one derivatives I (Ar = 3,4-(Cl)₂C₆H₃, 4-FC₆H₄, 4-MeC₆H₄, etc.) were synthesized by a simple method and their structures were established by phys. and spectroscopic methods. Log P value and in vitro hydrolysis, in simulated gastric fluid and simulated intestinal fluid, of all the compounds were determined by standard methods. Synthesized 1,2,4-thiadiazolines were screened for their anticonvulsant activity against maximal electroshock method and isoniazid induced seizures and all the compounds showed good anticonvulsant activity. The compound I (Ar = 3,4-(Cl)₂C₆H₃) was found to be the most potent member of the series. Mol. docking studies of the synthesized compounds depicted their stable ligand-receptor complex conformation with the typical binding pocket of γ-aminobutyric acid A receptor protein. Compound I (Ar = 3,4-(Cl)₂C₆H₃) confined its effect in the mol. docking studies also by non-covalent interactions with Tyr 157, Phe 200 and Tyr 205, the key interacting residues of γ-aminobutyric acid A receptor protein 4COF. In silico absorption, distribution, metabolism and elimination performance of all the compounds also appear to favor anticonvulsant effect. “LAZAR” and “OSIRIS” property explorer predicted nontoxic, nonmutagenic, noncarcinogenic, etc. nature for all the compounds In conclusion, some γ-aminobutyric acid A receptor agonists have been synthesized in this study with promising drug-like properties, which merit further development.

Medicinal Chemistry Research published new progress about 3696-23-9. 3696-23-9 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Thiourea,Amine,Benzene,Amide, name is 1-(4-Chlorophenyl)thiourea, and the molecular formula is C7H7ClN2S, Product Details of C7H7ClN2S.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

El-Sakka, Sahar Said published the artcileBehaviour of 4-[4-methoxy-3-methylphenyl]-4-oxobutenoic acid towards nitrogen-containing nucleophiles, SDS of cas: 3696-23-9, the publication is Journal of Chemical Sciences (Bangalore, India) (2014), 126(6), 1883-1891, database is CAplus.

A series of novel amino acid derivatives has been synthesized by the reaction of 4-[4-methoxy-3-methylphenyl]-4-oxobutenoic acid with primary and secondary amines. The treatment of amino acids with hydrazine afforded pyridazine. Phenylhydrazone was obtained from the reaction of the acid with Ph hydrazine in ethanol. On the other hand, the acid underwent heterocyclization upon the treatment with 2-aminopyridine, o-phenylenediamine, aryldithiocarbamates and thiourea derivatives to give the corresponding pyridopyrimidine, quinoxalone, 2-thioxo-1,3-thiazole and 4-hydroxy-1,3-thiazole, resp. The thiazolopyridazine derivatives were obtained from the reaction of 4-hydroxy-1,3-thiazole with hydrazine and phenylhydrazine, resp. The behavior of the 4-hydroxy-1,3-thiazole toward acetic anhydride and bromine was also studied. Some of the synthesized compounds also exhibited anti-microbial activities.

Journal of Chemical Sciences (Bangalore, India) published new progress about 3696-23-9. 3696-23-9 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Thiourea,Amine,Benzene,Amide, name is 1-(4-Chlorophenyl)thiourea, and the molecular formula is C7H7ClN2S, SDS of cas: 3696-23-9.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Sagar, Sneha R. published the artcilePharmacological investigation of quinoxaline-bisthiazoles as multitarget-directed ligands for the treatment of Alzheimer’s disease, Formula: C7H7ClN2S, the publication is Bioorganic Chemistry (2019), 102992, database is CAplus and MEDLINE.

Alzheimer’s disease (AD) is the most prevalent disease of old age leading to dementia. Complex AD pathogenesis involves multiple factors viz. amyloid plaque formation, neurofibrillary tangles and inflammation. Herein we report of a new series of quinoxaline-bisthiazoles as multitarget-directed ligands (MTDLs) targeting BACE-1 and inflammation concurrently. Virtual screening of a library of novel quinoxaline-bisthiazoles was performed by docking studies. The most active mols. from the docking library were taken up for synthesis and characterized by spectral data. Compounds 8a-8n showed BACE-1 inhibition in micro molar range. One of the compounds, 8n showed BACE-1 inhibition at IC₅₀ of 3 ± 0.07 μM. Rat paw edema inhibition in acute and chronic models of inflammation were obtained at 69 ± 0.45% and 55 ± 0.7%, resp. Compound 8n also showed noteworthy results in AlCl₃ induced AD model. The treated rats exhibited excellent antiamnesic, antiamyloid, antioxidant, and neuroprotective properties. Behavioral parameters suggested improved cognitive functions which further validates the testimony of present study. Moreover, compound 8n was found to have inherent gastrointestinal safety. This new string of quinoxaline-bisthiazoles were identified as effective lead for the generation of potent MTDLs and compound 8n was found to showcase qualities to tackle AD pathogenesis.

Bioorganic Chemistry published new progress about 3696-23-9. 3696-23-9 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Thiourea,Amine,Benzene,Amide, name is 1-(4-Chlorophenyl)thiourea, and the molecular formula is C7H7ClN2S, Formula: C7H7ClN2S.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Samet, Alexander V. published the artcileAn Efficient Synthesis of Fused 2-Aryliminothiazolines via a Solvent-Free Cyclopropyliminium Rearrangement, Recommanded Product: 1-(4-Chlorophenyl)thiourea, the publication is ChemistrySelect (2016), 1(10), 2373-2376, database is CAplus.

A series of (Z)-3-aryliminopyrrolo[1,2-c]thiazoles I (Ar = Ph, 4-chlorophenyl, 4-methylphenyl, 4-methoxyphenyl, 3,4,5-trimethoxyphenyl, 3-trifluoromethylphenyl) was synthesized by a base-induced dehydrobromination of 3-arylaminopyrrolo[1,2-c]thiazolium bromides II, which in turn, was obtained via an efficient solvent-free cyclopropyliminium rearrangement of the corresponding 4-cyclopropylthiazole hydrobromides III proceeding in melt at high rate and in excellent yields. Biol. evaluation using phenotypic sea urchin embryo assay showed that 2-arylamino-4-cyclopropylthiazoles IV displayed an antimitotic tubulin-unrelated activity, whereas fused-ring rearrangement products III were proposed to inhibit Ca-Zn-dependent metalloproteases.

ChemistrySelect published new progress about 3696-23-9. 3696-23-9 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Thiourea,Amine,Benzene,Amide, name is 1-(4-Chlorophenyl)thiourea, and the molecular formula is C7H7ClN2S, Recommanded Product: 1-(4-Chlorophenyl)thiourea.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Sousa-Pereira, Danilo published the artcileSynthetic (E)-3-phenyl-5-(phenylamino)-2-styryl-1,3,4-thiadiazol-3-ium chloride derivatives as promising chemotherapy agents on cell lines infected with HTLV-1, Product Details of C7H7ClN2S, the publication is Molecules (2020), 25(11), 2537, database is CAplus and MEDLINE.

Synthesis of four compounds belonging to mesoionic class, (E)-3-phenyl-5-(phenylamino)-2-styryl-1,3,4-thiadiazol-3-ium chloride derivatives (5a-d) and their biol. evaluation against MT2 and C92 cell lines infected with human T-cell lymphotropic virus type-1, which causes adult T-cell leukemia/lymphoma (ATLL), and non-infected cell lines (Jurkat) are reported. The compounds were obtained by convergent synthesis under microwave irradiation and the cytotoxicity was evaluated using 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide (MTT) assays. Results showed IC50 values of all compounds in the range of 1.51-7.70μM in HTLV-1-infected and non-infected cells. Furthermore, it was observed that 5b could induce necrosis after 24 h for Jurkat and MT2 cell lines. The exptl. (fluorimetric method) and theor. (mol. docking) results suggested that the mechanism of action for 5b could be related to its capacity to intercalate into DNA. Moreover, the preliminary pharmacokinetic profile of the studied compounds (5a-d) was obtained through human serum albumin (HSA) binding affinity using multiple spectroscopic techniques (CD, steady-state and time-resolved fluorescence), zeta potential and mol. docking calculations The interaction HSA:5a-d is spontaneous and moderate (Ka ~104 M-1) via a ground-state association, without significantly perturbing both the secondary and surface structures of the albumin in the subdomain IIA (site I), indicating feasible biodistribution in the human bloodstream.

Molecules published new progress about 3696-23-9. 3696-23-9 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Thiourea,Amine,Benzene,Amide, name is 1-(4-Chlorophenyl)thiourea, and the molecular formula is C3H8N2S, Product Details of C7H7ClN2S.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Mangte, Anvita D. published the artcileSynthesis and antimicrobial evaluation of protected lactosyl isothiourea derivatives, COA of Formula: C7H7ClN2S, the publication is Asian Journal of Chemical and Environmental Research (2014), 7(1-4), 50-54, database is CAplus.

Protected lactosyl isothiourea were synthesized by nucleophilic addition of per-O-acetyl lactosyl aryl isothiourea to tolyl isothiocyanate. Structures of these compounds were confirmed on the basis of IR, NMR, Mass spectra and elemental anal. These compounds were also screened for their in vitro antimicrobial activities against bacteria S. aureus, E. coli, P. vulgaris, P. aeruginosa and fungi A. niger, Penicillium.

Asian Journal of Chemical and Environmental Research published new progress about 3696-23-9. 3696-23-9 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Thiourea,Amine,Benzene,Amide, name is 1-(4-Chlorophenyl)thiourea, and the molecular formula is C7H7ClN2S, COA of Formula: C7H7ClN2S.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Feng, Yian published the artcileFormation of 1,4,2-Dithiazolidines or 1,3-Thiazetidines from 1,1-Dichloro-2-nitroethene and Phenylthiourea Derivatives, Recommanded Product: 1-(4-Chlorophenyl)thiourea, the publication is Journal of Organic Chemistry (2016), 81(21), 10321-10327, database is CAplus and MEDLINE.

A method for preparation of 1,4,2-dithiazolidine or 1,3-thiazetidine heterocycles was developed by reactions of phenylthioureas with 1,1-dichloro-2-nitroethene. The solvent has a significant influence on the type of product formation. 1,4,2-Dithiazolidines were formed in the aprotic solvent chloroform, while in the protic solvent ethanol, 1,3-thiazetidines were the main products.

Journal of Organic Chemistry published new progress about 3696-23-9. 3696-23-9 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Thiourea,Amine,Benzene,Amide, name is 1-(4-Chlorophenyl)thiourea, and the molecular formula is C7H7ClN2S, Recommanded Product: 1-(4-Chlorophenyl)thiourea.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Wang, Ming-bo published the artcileSynthesis and structure-activity relationship of novel tetrahydrobenzo[d]thiazole as androgen receptor modulator, Related Products of chlorides-buliding-blocks, the publication is Zhongguo Shengwu Huaxue Yu Fenzi Shengwu Xuebao (2018), 34(9), 962-971, database is CAplus.

Prostate cancer is one of the most commonly diagnosed cancer in men, and androgen receptor (AR) is an important target for the treatment of prostate cancer. For many reasons, existing AR antagonists fail to treat prostate cancer after long-term use. Therefore, the development of novel AR antagonists is still of great significance. A series of tetrahydrobenzo[d]thiazole compounds were synthesized by condensation reaction of α,β-epoxycyclohexanones and appropriate substituted thioureas 8, which were obtained from the corresponding anilines 7. Their antiandrogenic activities were tested using an yeast two-hybrid (Y2H) system, and several compounds exhibited androgen receptor (AR) antagonistic behavior equal or stronger than that of flutamide (IC₅₀ ≤ 2.48 mmol/L). Further cell viability assay demonstrated that some active compounds effectively inhibited the proliferation of androgen-sensitive LNCaP cells values with IC₅₀ values of 17.1-41.4 mmol/L. Mol. docking study provide a possible model of ligand receptor interactions, which was consistent with the initial structure-activity relationship (SAR) studies. Taken together, tetrahydrobenzo[d]thiazoles act as effective AR modulators may represent promising leads for further development of novel and improved AR antagonists.

Zhongguo Shengwu Huaxue Yu Fenzi Shengwu Xuebao published new progress about 3696-23-9. 3696-23-9 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Thiourea,Amine,Benzene,Amide, name is 1-(4-Chlorophenyl)thiourea, and the molecular formula is C10H16Br3N, Related Products of chlorides-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics