SJA710-6 - ≥98% , CAS No.1397255-09-2

CAS: 1397255-09-2 Cat. No.: S412225 Formula: C₂₂H₂₀BrFN₄ Molecular Weight: 439.32 PubChem CID: 71466685

GRADE & PURITY ≥98%

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Information

SJA710-6 is a small molecule that can selectively differentiate MSCs toward hepatocyte-like cells.

Specifications

Specifications & Purity

≥98%

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

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

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 528767103
• Canonical Smiles: CCCN1C2=C(C=CC(=N2)NCC3=CC=C(C=C3)F)N=C1C4=CC=C(C=C4)Br
• IUPAC Name: 2-(4-bromophenyl)-N-[(4-fluorophenyl)methyl]-3-propylimidazo[4,5-b]pyridin-5-amine
• InChIKey: RPNQWWSSADJSGS-UHFFFAOYSA-N
• INCHI: 1S/C22H20BrFN4/c1-2-13-28-21(16-5-7-17(23)8-6-16)26-19-11-12-20(27-22(19)28)25-14-15-3-9-18(24)10-4-15/h3-12H,2,13-14H2,1H3,(H,25,27)
• Isomeric SMILES: CCCN1C2=C(C=CC(=N2)NCC3=CC=C(C=C3)F)N=C1C4=CC=C(C=C4)Br
• PubChem CID: 71466685
• Molecular Weight: 439.32

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: 2-benzylaminopyridines
• Alternative Parents: Phenylimidazoles Imidazopyridines Fluorobenzenes Bromobenzenes Aminopyridines and derivatives N-substituted imidazoles Imidolactams Aryl fluorides Aryl bromides Heteroaromatic compounds Azacyclic compounds Organofluorides Organobromides Hydrocarbon derivatives Amines
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 2-benzylaminopyridine - 2-phenylimidazole - Imidazopyridine - Aminopyridine - Bromobenzene - Fluorobenzene - Halobenzene - Aryl bromide - Aryl fluoride - Aryl halide - Imidolactam - Pyridine - N-substituted imidazole - Heteroaromatic compound - Azole - Imidazole - Organoheterocyclic compound - Azacycle - Organofluoride - Organonitrogen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organobromide - Organohalogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 2-benzylaminopyridines. These are aromatic compounds containing pyridine ring substituted at the 2-position by a benzylamine group.
• 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

• Solubility: DMSO: 250 mg/mL (569.06 mM)
• Sensitivity: Light sensitive
• Molecular Weight: 439.300 g/mol
• XLogP3: 5.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 438.086 Da
• Monoisotopic Mass: 438.086 Da
• Topological Polar Surface Area: 42.700 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 479.000
• 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