NS-638 - ≥96% , CAS No.150493-34-8

CAS: 150493-34-8 Cat. No.: N302954 Peso molecular: 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

Descripción general

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

Sinónimos

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)-

Especificaciones y pureza

≥96%

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Argon charged

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Tipo de acción

INHIBITOR

Pureza

≥96%

Nombres e identificadores

• Pubchem Sid: 504756981
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756981
• Sonrisas canónicas: 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)
• Isómeros SMILES: C1=CC(=CC=C1CN2C3=C(C=C(C=C3)C(F)(F)F)N=C2N)Cl
• Peso molecular: 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
    • Clase Benzimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: Soluble in DMSO ≥ 34 mg/mL (104.38 mM)
• Peso molecular: 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