CDK2-IN-13 - Moligand™,≥98% , CAS No.101622-53-1

CAS: 101622-53-1 Cat. No.: C728540 Fórmula: C₁₃H₁₂ClN₅ Peso molecular: 273.72

GRADE & PURITY Moligand™, ≥98%

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Visão geral

CDK2-IN-13 is a CDK2 inhibitor with an IC50 of 12 µM. CDK2-IN-13 can be used in research of cancer.

Specifications

Especificações e pureza

Moligand™,≥98%

Condições de armazenamento de armazenamento

Store at 2-8°C,Argon charged

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Grau

Moligand™

Tipo de ação

INHIBITOR

Pureza

≥98%

Nomes e identificadores

Sorrisos canónicos

CN1C=NC2=C(N=C(N=C21)Cl)NCC3=CC=CC=C3

IUPAC Name

N-benzyl-2-chloro-9-methylpurin-6-amine

InChIKey

QNKNBVBQFILDGJ-UHFFFAOYSA-N

INCHI

1S/C13H12ClN5/c1-19-8-16-10-11(17-13(14)18-12(10)19)15-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,15,17,18)

SMILES isoméricas

CN1C=NC2=C(N=C(N=C21)Cl)NCC3=CC=CC=C3

CAS alternativo

101622-53-1

Peso molecular

273.72

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Imidazopyrimidines
      • Subclass Purines and purine derivatives
        • Level5 6-aminopurines
          • Level6 6-alkylaminopurines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Imidazopyrimidines
• Subclass: Purines and purine derivatives
• Intermediate Tree Nodes: 6-aminopurines
• Direct Parent: 6-alkylaminopurines
• Alternative Parents: Benzylamines Aminopyrimidines and derivatives 2-halopyrimidines N-substituted imidazoles Imidolactams Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organochlorides Hydrocarbon derivatives Amines
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 6-alkylaminopurine - Benzylamine - Aminopyrimidine - 2-halopyrimidine - Halopyrimidine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Imidolactam - Benzenoid - Pyrimidine - N-substituted imidazole - Heteroaromatic compound - Azole - Imidazole - Azacycle - Organonitrogen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as 6-alkylaminopurines. These are compounds that contain an alkylamine group attached at the 6-position of a purine. Purine is a bicyclic aromatic compound made up of a pyrimidine ring fused to an imidazole 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

Mecanismos de ação

Propriedades químicas e físicas

• Sensibilidade: light & Moisture sensitive
• Peso molecular: 273.720 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 273.078 Da
• Monoisotopic Mass: 273.078 Da
• Topological Polar Surface Area: 55.600 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 297.000
• 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