876316-46-0 Usage
Description
1-METHYL-5-THIEN-2-YL-1H-PYRAZOLE-3-CARBONYL CHLORIDE is a chemical compound characterized by the molecular formula C9H7ClN2OS. It features a pyrazole ring fused with a thienyl group and a carbonyl chloride functional group, making it a reactive intermediate in the synthesis of pharmaceuticals and agrochemicals. 1-METHYL-5-THIEN-2-YL-1H-PYRAZOLE-3-CARBONYL CHLORIDE is utilized in organic synthesis as an acylating agent, especially for the preparation of pyrazole-containing compounds. Additionally, it holds potential as a building block in the development of new drugs and biologically active molecules. Due to its reactivity and potential hazards, it is essential to handle and use this compound with caution.
Uses
Used in Pharmaceutical Synthesis:
1-METHYL-5-THIEN-2-YL-1H-PYRAZOLE-3-CARBONYL CHLORIDE is used as an acylating agent for the synthesis of various pharmaceutical compounds. Its unique structure allows for the creation of pyrazole-containing drugs, which can have diverse therapeutic applications.
Used in Agrochemical Development:
In the agrochemical industry, 1-METHYL-5-THIEN-2-YL-1H-PYRAZOLE-3-CARBONYL CHLORIDE is employed as a key intermediate in the synthesis of compounds with pesticidal or herbicidal properties, contributing to the development of effective crop protection agents.
Used in Organic Synthesis:
1-METHYL-5-THIEN-2-YL-1H-PYRAZOLE-3-CARBONYL CHLORIDE is utilized as a building block in organic synthesis, enabling the creation of a wide range of chemical entities with potential applications in various fields, including materials science, medicinal chemistry, and specialty chemicals.
Used in Drug Development:
As a component in the development of new drugs, 1-METHYL-5-THIEN-2-YL-1H-PYRAZOLE-3-CARBONYL CHLORIDE is used for its potential to form biologically active compounds. Its incorporation into drug candidates can lead to the discovery of novel therapeutic agents with improved efficacy and selectivity.
Check Digit Verification of cas no
The CAS Registry Mumber 876316-46-0 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 8,7,6,3,1 and 6 respectively; the second part has 2 digits, 4 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 876316-46:
(8*8)+(7*7)+(6*6)+(5*3)+(4*1)+(3*6)+(2*4)+(1*6)=200
200 % 10 = 0
So 876316-46-0 is a valid CAS Registry Number.
InChI:InChI=1/C9H7ClN2OS/c1-12-7(8-3-2-4-14-8)5-6(11-12)9(10)13/h2-5H,1H3
876316-46-0Relevant articles and documents
Design and Evaluation of Bispidine-Based SARS-CoV-2 Main Protease Inhibitors
Baev, Dmitriy,Belenkaya, Svetlana,Chirkova, Varvara,Dalinger, Alexander,Kalinin, Mikhail,Khvostov, Aleksei,Krut'Ko, Dmitry,Maksyutov, Rinat,Medved'Ko, Aleksei,Salakhutdinov, Nariman,Shanshin, Daniil,Sharlaeva, Elena,Shcherbakov, Dmitriy,Tolstikova, Tatyana,Vatsadze, Sergey,Volosnikova, Ekaterina,Yarovaya, Olga
, (2021/10/21)
For the first time, derivatives of 3,7-diazabicyclo[3.3.1]nonane (bispidine) were proposed as potential inhibitors of the SARS-CoV-2 main viral protease (3-chymotrypsin-like, 3CLpro). Based on the created pharmacophore model of the active site of the protease, a group of compounds were modeled and tested for activity against 3CLpro. The 3CLpro activity was measured using the fluorogenic substrate Dabcyl-VNSTLQSGLRK(FAM)MA; the efficiency of the proposed approach was confirmed by comparison with literature data for ebselen and disulfiram. The results of the experiments performed with bispidine compounds showed that 14 compounds exhibited activity in the concentration range 1-10 μM, and 3 samples exhibited submicromolar activity. The structure-activity relationship studies showed that the molecules containing a carbonyl group in the ninth position of the bicycle exhibited the maximum activity. Based on the experimental and theoretical results obtained, further directions for the development of this topic were proposed.
