449758-25-2

Basic information

• Product Name: 2-(1H-TETRAZOL-1-YL)BENZONITRILE
• Synonyms: 2-(1H-TETRAZOL-1-YL)BENZONITRILE
• CAS NO: 449758-25-2
• Molecular Formula: C₈H₅N₅
• Molecular Weight: 171.16
• Mol File: 449758-25-2.mol

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 2-(1H-TETRAZOL-1-YL)BENZONITRILE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(1H-TETRAZOL-1-YL)BENZONITRILE(449758-25-2)
• EPA Substance Registry System: 2-(1H-TETRAZOL-1-YL)BENZONITRILE(449758-25-2)

Safety Data

• Hazardous Substances Data: 449758-25-2(Hazardous Substances Data)

Usage

Physical form

White to off-white powder

Common uses

Intermediate in the synthesis of pharmaceuticals, agrochemicals, and other organic compounds

Chemical properties

Acts as a ligand in metal-organic coordination chemistry

Potential applications

Anti-cancer agent, treatment of tuberculosis, materials science and nanotechnology

Unique properties

Diverse applications and subject of research in various fields

Upstream product

• 449758-24-1 2-Tetrazol-1-yl-benzamide 
• 116570-12-8 2-Tetrazol-1-yl-benzoic acid 
• 118-92-3 anthranilic acid 

Downstream Products

• 449756-94-9 2-Tetrazol-1-yl-benzylamine 
• 449758-33-2 {(R)-1-Benzyl-2-oxo-2-[(S)-2-(2-tetrazol-1-yl-benzylcarbamoyl)-pyrrolidin-1-yl]-ethyl}-carbamic acid tert-butyl ester 

Relevant articles and documents

1,6 - SUBSTITUTED (3R,6R) -3- (2,3-DIHYDRO-1H-INDEN-2-YL)-2,5-PIPERAZINEDIONE DERIVATIVES AS OXYTOCIN RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PRE-TERM LABOUR, DYSMENORRHEA AND ENDOMETRIOSIS

The present invention relates to compound S of Formula (I).

Discovery and evaluation of potent P1 aryl heterocycle-based thrombin inhibitors

In an effort to discover potent, clinically useful thrombin inhibitors, a rapid analogue synthetic approach was used to explore the P1 region. Various benzylamines were coupled to a pyridine/pyrazinone P2-P 3 template. One compound with an o-thiadiazole benzylic substitution was found to have a thrombin Ki of 0.84 nM. A study of ortho-substituted five-membered-ring heterocycles was undertaken and subsequently demonstrated that the o-triazole and tetrazole rings were optimal. Combination of these potent P1 aryl heterocycles with a variety of P2-P3 groups produced a compound with an extraordinary thrombin inhibitory activity of 1.4 pM. It is hoped that this potency enhancement in P1 will allow for more diversification in the P 2-P3 region to ultimately address additional pharmacological concerns.

Thrombin inhibitors

Compounds of the invention are useful in inhibiting thrombin and associated thrombotic occlusions having the following structure: wherein R1 is, for example, hydrogen, Cl, or cyano, and R2 is, for example, hydrogen,

Thrombin inhibitors

Compounds of the invention are useful in inhibiting thrombin and treating blood coagulation and cardiovascular disorders and have the following structure: wherein R3 is hydrogen or halogen, and u is N or CH.