NS-638 - ≥96% , CAS No.150493-34-8

CAS: 150493-34-8 Cat. No.: N302954 Formule: C₁₅H₁₁ClF₃N₃ Poids moléculaire: 325.72

GRADE & PURITY ≥96%

Synonyms

AKOS032947353 | 2-Amino-1-(4-chlorobenzyl)-5-trifluoromethylbenzimidazole | 1H-Benzimidazol-2-amine, 1-((4-chlorophenyl)methyl)-5-(trifluoromethyl)- | BCP20747 | NS 638 | HY-101428 | 1H-Benzimidazol-2-amine, 1-[(4-chlorophenyl)methyl]-5-(trifluoromethyl)-

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Vue d’ensemble

NS-638 is a small nonpeptide molecule with Ca2+-channel blocking properties. K+-stimulated intracellular Ca2+-elevation is blocked with an IC50 value of 3.4 μM.

Specifications

Synonymes

AKOS032947353 | 2-Amino-1-(4-chlorobenzyl)-5-trifluoromethylbenzimidazole | 1H-Benzimidazol-2-amine, 1-((4-chlorophenyl)methyl)-5-(trifluoromethyl)- | BCP20747 | NS 638 | HY-101428 | 1H-Benzimidazol-2-amine, 1-[(4-chlorophenyl)methyl]-5-(trifluoromethyl)-

Spécifications et pureté

≥96%

Conditions de stockage de stockage

Store at -20°C,Argon charged

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Type d'action

INHIBITOR

Pureté

≥96%

Noms et identifiants

Pubchem Sid

504756981

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504756981

Sourires canoniques

C1=CC(=CC=C1CN2C3=C(C=C(C=C3)C(F)(F)F)N=C2N)Cl

IUPAC Name

1-[(4-chlorophenyl)methyl]-5-(trifluoromethyl)benzimidazol-2-amine

InChIKey

GXQCVUZORDAARJ-UHFFFAOYSA-N

INCHI

1S/C15H11ClF3N3/c16-11-4-1-9(2-5-11)8-22-13-6-3-10(15(17,18)19)7-12(13)21-14(22)20/h1-7H,8H2,(H2,20,21)

Isomères SMILES

C1=CC(=CC=C1CN2C3=C(C=C(C=C3)C(F)(F)F)N=C2N)Cl

Poids moléculaire

325.72

Reaxy-Rn

13437618

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13437618&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Benzimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Benzimidazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzimidazoles
• Alternative Parents: Chlorobenzenes N-substituted imidazoles Aryl chlorides Aminoimidazoles Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Organofluorides Organochlorides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzimidazole - Chlorobenzene - Halobenzene - Aminoimidazole - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Azacycle - Amine - Organonitrogen compound - Primary amine - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Organofluoride - Organohalogen compound - Organochloride - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds).
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propriétés chimiques et physiques

• Solubilité: Soluble in DMSO ≥ 34 mg/mL (104.38 mM)
• Poids moléculaire: 325.710 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 325.059 Da
• Monoisotopic Mass: 325.059 Da
• Topological Polar Surface Area: 43.800 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 385.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1