Akt-I-1,2 HCl , CAS No.473382-50-2

CAS: 473382-50-2 Cat. No.: A995576 Molecular Weight: 339.433646 PubChem CID: 73014064

Storage

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Shipped In

Ice chest + Ice pads

Specifications

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Names and Identifiers

• Canonical Smiles: CC(C)(C1=CC=C(C=C1)C2=NC3=CC=CC=C3N=C2C4=CC=CC=C4)N.Cl
• IUPAC Name: 2-[4-(3-phenylquinoxalin-2-yl)phenyl]propan-2-amine;hydrochloride
• InChIKey: NXSKOEXUDZHMAL-UHFFFAOYSA-N
• INCHI: 1S/C23H21N3.ClH/c1-23(2,24)18-14-12-17(13-15-18)22-21(16-8-4-3-5-9-16)25-19-10-6-7-11-20(19)26-22;/h3-15H,24H2,1-2H3;1H
• Isomeric SMILES: CC(C)(C1=CC=C(C=C1)C2=NC3=CC=CC=C3N=C2C4=CC=CC=C4)N.Cl
• PubChem CID: 73014064
• Molecular Weight: 339.433646

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazanaphthalenes
      • Subclass Benzodiazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazanaphthalenes
• Subclass: Benzodiazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinoxalines
• Alternative Parents: Phenylpropanes Aralkylamines Pyrazines Heteroaromatic compounds Azacyclic compounds Monoalkylamines Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinoxaline - Phenylpropane - Aralkylamine - Monocyclic benzene moiety - Pyrazine - Benzenoid - Heteroaromatic compound - Azacycle - Amine - Primary amine - Hydrocarbon derivative - Organonitrogen compound - Primary aliphatic amine - Organic nitrogen compound - Hydrochloride - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as quinoxalines. These are compounds containing a quinoxaline moiety, a bicyclic heterocycle made up of a benzene ring fused to a pyrazine ring.
• 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

Chemical and Physical Properties

• Molecular Weight: 375.900 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 375.15 Da
• Monoisotopic Mass: 375.15 Da
• Topological Polar Surface Area: 51.800 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 448.000
• 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: 2

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