AI-10-47 - ≥98% , CAS No.1256094-31-1

CAS: 1256094-31-1 Cat. No.: A413399 Formule: C₁₃H₈F₃N₃O Poids moléculaire: 279.22 PubChem CID: 49804932

GRADE & PURITY ≥98%

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

Information

AI-10-47 is an inhibitor of CBFβ-RUNX binding with IC50 of 3.2 μM.

Specifications

Spécifications et pureté

≥98%

Mécanismes biochimiques et physiologiques

AI-10-47 is an inhibitor of CBFβ-RUNX binding with IC50 of 3.2 μM.

Conditions de stockage de stockage

Protected from light,Store at -20°C

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.

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 528763061
• Sourires canoniques: C1=CC=NC(=C1)C2=NC3=C(N2)C=C(C=C3)OC(F)(F)F
• IUPAC Name: 2-pyridin-2-yl-6-(trifluoromethoxy)-1H-benzimidazole
• InChIKey: JSNWHSDKJSOXET-UHFFFAOYSA-N
• INCHI: 1S/C13H8F3N3O/c14-13(15,16)20-8-4-5-9-11(7-8)19-12(18-9)10-3-1-2-6-17-10/h1-7H,(H,18,19)
• Isomères SMILES: C1=CC=NC(=C1)C2=NC3=C(N2)C=C(C=C3)OC(F)(F)F
• PubChem CID: 49804932
• Poids moléculaire: 279.22

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: Phenol ethers Pyridines and derivatives Imidazoles Heteroaromatic compounds Trihalomethanes Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzimidazole - Phenol ether - Pyridine - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Trihalomethane - Azacycle - Halomethane - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl halide - Organic nitrogen compound - Alkyl fluoride - Hydrocarbon derivative - 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

Cibles associées (humaines)

CBFB Tchem Core-binding factor subunit beta (1 Activities)

Discover Target: CBFB

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Mécanismes d'action

Propriétés chimiques et physiques

• Sensibilité: Light sensitive
• Poids moléculaire: 279.220 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 279.062 Da
• Monoisotopic Mass: 279.062 Da
• Topological Polar Surface Area: 50.800 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 339.000
• 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