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6957-85-3

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6957-85-3 Usage

General Description

2H-Benzo[4,5]thiazolo[2,3-c][1,2,4]triazole-3-thione is a chemical compound with a complex molecular structure. It is a heterocyclic organic compound that contains both sulfur and nitrogen within its ring system. 2H-BENZO[4,5]THIAZOLO[2,3-C][1,2,4]TRIAZOLE-3-THIONE is known for its potential biological and pharmaceutical application due to its diverse chemical properties. It is also used as a building block in organic synthesis and in the preparation of various derivatives for research purposes. The compound has shown potential as an antitumor and antifungal agent, making it an important target for medicinal chemistry research. Its unique structure and properties make it valuable in the development of new pharmaceuticals and biological studies.

Check Digit Verification of cas no

The CAS Registry Mumber 6957-85-3 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 6,9,5 and 7 respectively; the second part has 2 digits, 8 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 6957-85:
(6*6)+(5*9)+(4*5)+(3*7)+(2*8)+(1*5)=143
143 % 10 = 3
So 6957-85-3 is a valid CAS Registry Number.
InChI:InChI=1/C8H5N3S2/c12-7-9-10-8-11(7)5-3-1-2-4-6(5)13-8/h1-4H,(H,9,12)

6957-85-3SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 14, 2017

Revision Date: Aug 14, 2017

1.Identification

1.1 GHS Product identifier

Product name 2H-[1,2,4]triazolo[3,4-b][1,3]benzothiazole-1-thione

1.2 Other means of identification

Product number -
Other names s-Triazolo(3,4-b)benzothiazol-3-thiol

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:6957-85-3 SDS

6957-85-3Relevant articles and documents

Novel benzo[4,5]thiazolo[2,3-C][1,2,4]triazoles: Design, synthesis, anticancer evaluation, kinase profiling and molecular docking study

Abdelazeem, Ahmed H.,Alqahtani, Alaa M.,Arab, Hany H.,Gouda, Ahmed M.,Safi El-Din, Asmaa G.

, (2021/07/31)

In the current study, we report the synthesis and cytotoxic evaluation of a new series of S-benzo[4,5]thiazolo[2,3-c][1,2,4]triazole-based derivatives 8-12. Cytotoxicity of the new compounds was investigated in A549, MCF-7, and Hep3B cancer cell lines. Among these derivatives, compound 12 bearing an isatin moiety was the most active derivative (IC50 = 2.40-3.53 μM). A mechanistic study of compound 12 was performed using the kinase profiling test to explore its inhibitory activity against 10 types of the oncogenic kinases and the potential activation of caspase 3/7 enzymes. The results revealed that compound 12 showed moderate inhibition of the EGFR and LCK kinases. Moreover, compound 12 also activated caspase-3/7 in A549 cells. The docking study of compound 12 into EGFR ATP-active site revealed that it fits nicely with good binding affinity. Together, the results indicated that compound 12 could serve as a good lead for developing new potential anticancer agents.

Design, synthesis and biological evaluation of novel benzo[4,5]thiazolo[2,3-c][1,2,4]triazole derivatives as potential anticancer agents

Abdelazeem, Ahmed H.,Gouda, Ahmed M.,Omar, Hany A.,Alrobaian, Majed

, p. 625 - 636 (2018/08/03)

In the present study, we have designed and synthesized a novel series of benzothiazolotriazole derivatives as potential anticancer agents. The anticancer activity of the newly synthesized compounds was evaluated against three cancerous cell lines; A549 (human lung adenocarcinoma), MCF-7 (human breast carcinoma) and Hep3B (human hepatocellular carcinoma) using MTT assay. Among this series, compounds 15 and 16 showed the most promising anticancer activity with IC50 values between 11.1 to 21.5 μM. Kinase profiling was performed for the most potent compounds 15 and 16 and it revealed weak inhibitory activity against 10 various kinases, where the highest inhibition was against CDK2/Cyclin A1 by compound 15. Furthermore, caspase-3/7 assay also indicated that the same compound 15 has the ability to induce apoptosis through the activation of effector caspase-3/7 family. Therefore, it could be deduced that the S-benzo[4,5]thiazolo[2,3-c][1,2,4]triazole is a promising novel anticancer scaffold with antiproliferative and apoptosis-inducing activities deserves to be taken up as a lead for further structural optimization.

Synthesis of new triazolo and pyrazolo benzothiazoles

Deshmukh,Patil,Jadhav,Shejwal

, p. 163 - 166 (2013/09/23)

Benzothiazole-2-thiol 1 on heating with excess of hydrazine hydrate yields 2-hydrazino-1,3-benzothiazole (2). Compound 2 on reaction with carbon disulfide in alkaline medium affords [1,2,4] triazolo [3,4-b] [1,3] benzothiazole-3-thiol (3). Condensation of 2 with various substituted aryl aldehydes yields corresponding hydrazine derivatives (4), which on cyclisation with acetic anhydride gave corresponding [1,2,4] triazolo [3,4-6] [1,3] benzothiazoles (5). Some other triazolo derivatives (6,7,8) of benzothiazole were obtained by the cyclization of 2 with benzoyl chloride, acetyl chloride and formic acid respectively. Again compound 2 on condensation with acetyl acetone and ethylacetoacetate gives pyrazolo derivatives (9,10) respectively. The synthesized compounds were characterized by elemental and spectral analysis.

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