401567-00-8

Basic information

• Product Name: 1H-Benzimidazole-5-carbonitrile,2-chloro-(9CI)
• Synonyms: 1H-Benzimidazole-5-carbonitrile,2-chloro-(9CI);2-chloro-1H-1,3-benzodiazole-5-carbonitrile;1H-BenziMidazole-6-carbonitrile,2-chloro-;2-Chloro-1H-benzimidazole-5-carbonitrile;2-Chloro-1H-benzimidazole-6-carbonitrile;2-chlorobenziMidazole-5-carbonitrile;2-Chloro-1H-benzo[d]iMidazole-5-carbonitrile
• CAS NO: 401567-00-8
• Molecular Formula: C₈H₄ClN₃
• Molecular Weight: 177.594
• Product Categories: BENZIMIDAZOLE
• Mol File: 401567-00-8.mol
• Article Data: 8

Chemical Properties

• Boiling Point: 423.518 °C at 760 mmHg
• Flash Point: 209.936 °C
• Appearance: /
• Density: 1.505 g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.696
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• CAS DataBase Reference: 1H-Benzimidazole-5-carbonitrile,2-chloro-(9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: 1H-Benzimidazole-5-carbonitrile,2-chloro-(9CI)(401567-00-8)
• EPA Substance Registry System: 1H-Benzimidazole-5-carbonitrile,2-chloro-(9CI)(401567-00-8)

Safety Data

• Hazardous Substances Data: 401567-00-8(Hazardous Substances Data)

Usage

General Description

"1H-Benzimidazole-5-carbonitrile,2-chloro-(9CI)" is a specific type of organic compound that falls under the category of benzimidazoles, which are notable for their ring-like molecular structure. The presence of carbonitrile indicates the compound contains a cyanide group (-C≡N), which conventionally contributes to its reactivity. The "2-chloro" prefix in its name denotes the presence of a chlorine atom that is attached to the second carbon atom in the benzimidazole structure. Although its specific applications and properties can vary widely depending on how it's utilized, chemicals like this one are often used for research purposes or in the development of pharmaceuticals or other types of synthetic substances. However, the detailed safety aspects and the exact use of this specific chemical compound are not thoroughly disclosed in the available resources.

InChI:InChI=1/C8H4ClN3/c9-8-11-6-2-1-5(4-10)3-7(6)12-8/h1-3H,(H,11,12)

Upstream product

• 221289-88-9 2-oxo-2,3-dihydro-1H-benzo[d]imidazole-5-carbonitrile 
• 17626-40-3 4-cyano-1,2-phenylenediamine 
• 221289-88-9 2-hydroxybenzimidazole-5-carbonitrile 

Downstream Products

• 1219813-91-8 6-(7-cyano-2,3-dihydrobenzo[d]oxazolo[3,2-a]imidazol-2-yl)hexyl 4-methylbenzenesulfonate 
• 1219813-92-9 6-(6-cyano-2,3-dihydrobenzo[d]oxazolo[3,2-a]imidazol-2-yl)hexyl 4-methylbenzenesulfonate 
• 1397706-30-7 C₁₈H₁₇FN₄ 
• 1397706-32-9 C₁₈H₂₁N₃ 
• 1397706-31-8 C₁₉H₂₀N₄ 
• 401567-01-9 3-{(2S,4S)-1-benzyloxycarbonyl-4-[4-(5-cyanobenzimidazol-2-yl)piperazin-1-yl]pyrrolidin-2-ylcarbonyl}thiazolidine 

Relevant articles and documents

BENZIMIDAZOLE DERIVATIVES AND THEIR USES

The present invention relates to inhibitors of Transient Receptor Potential Channel 6 (TRPC6) protein activity. The present invention provides a compound of formula (I) or a pharmaceutically acceptable salt thereof, pharmaceutical compositions comprising

Fused bicyclic heteroarylpiperazine-substituted l-prolylthiazolidines as highly potent DPP-4 inhibitors lacking the electrophilic nitrile group

Hypoglycemic agents with a mechanism of depeptidyl peptidase IV (DPP-4) inhibition are suitable for once daily oral dosing. It is difficult to strike a balance between inhibitory activity and duration of action in plasma for inhibitors bearing an electrophilic nitrile group. We explored fused bicyclic heteroarylpiperazine substituted at the γ-position of the proline structure in the investigation of l-prolylthiazolidines lacking the electrophilic nitrile. Among them, 2-trifluoroquinolyl compound 8g is the most potent, long-lasting DPP-4 inhibitor (IC50 = 0.37 nmol/L) with high selectivity against other related peptidases. X-ray crystal structure determination of 8g indicates that CH-π interactions generated between the quinolyl ring and the guanidinyl group of Arg358 enhances the DPP-4 inhibitory activity and selectivity.

Design, syntheses, and structure-activity relationships of novel NPY Y5 receptor antagonists: 2-{3-Oxospiro[isobenzofuran-1(3H),4′-piperidin]-1′-yl}benzimidazole derivatives

Design, syntheses, and structure-activity relationships of a novel class of 2-{3-oxospiro[isobenzofuran-1(3H),4′-piperidin]-1′-yl}benzimidazole NPY Y5 receptor antagonists are described. The benzimidazole structures were newly designed based on the urea linkage of our prototype Y5 receptor antagonists (2 and 3). By optimizing substituents on the benzimidazole core part of the lead compound 5a, we were able to develop a potent, orally available, and brain-penetrable Y5 selective antagonist (5k). Crown Copyright