FLT3-IN-2 - Moligand™,≥98% , CAS No.923562-23-6

CAS: 923562-23-6 Cat. No.: F647810 Peso molecular: 416.83

GRADE & PURITY Moligand™, ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

FLT3-IN-2 (Compound P-0266) is a FLT3 inhibitor with an IC50 of < 1 μM. FLT3-IN-2 can be used in acute myeloid leukemia research

Specifications

Especificaciones y pureza

Moligand™, ≥98%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

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

Grado

Moligand™

Tipo de acción

INHIBITOR

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: C1=CC(=CC=C1CNC2=NC=C(C=C2)CC3=CNC4=C3C=C(C=N4)Cl)C(F)(F)F
• IUPAC Name: 5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-amine
• InChIKey: MFXPJGJSKHZZGC-UHFFFAOYSA-N
• INCHI: 1S/C21H16ClF3N4/c22-17-8-18-15(11-28-20(18)29-12-17)7-14-3-6-19(27-10-14)26-9-13-1-4-16(5-2-13)21(23,24)25/h1-6,8,10-12H,7,9H2,(H,26,27)(H,28,29)
• Isómeros SMILES: C1=CC(=CC=C1CNC2=NC=C(C=C2)CC3=CNC4=C3C=C(C=N4)Cl)C(F)(F)F
• Peso molecular: 416.83

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: 2-benzylaminopyridines
• Alternative Parents: Trifluoromethylbenzenes Pyrrolopyridines Secondary alkylarylamines Aminopyridines and derivatives Substituted pyrroles Imidolactams Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organofluorides Organochlorides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 2-benzylaminopyridine - Trifluoromethylbenzene - Pyrrolopyridine - Aminopyridine - Secondary aliphatic/aromatic amine - Aryl chloride - Aryl halide - Pyridine - Imidolactam - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Azacycle - Organoheterocyclic compound - Secondary amine - Alkyl halide - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Alkyl fluoride - Hydrocarbon derivative - Organic nitrogen compound - Amine - Aromatic heteropolycyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: DMSO : ≥ 30 mg/mL (71.97 mM)
• Peso molecular: 416.800 g/mol
• XLogP3: 5.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 416.102 Da
• Monoisotopic Mass: 416.102 Da
• Topological Polar Surface Area: 53.600 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 527.000
• 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