Cdk4/6-IN-2 - ≥99% , CAS No.1800506-48-2

CAS: 1800506-48-2 Cat. No.: C964425 PubChem CID: 91820696

CALIDAD & PUREZA ≥99%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Especificaciones

Especificaciones y pureza

≥99%

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.

Tipo de acción

INHIBITOR

Pureza

≥99%

Nombres e identificadores

Sonrisas canónicas

CCN1CCN(CC1)CC2=CN=C(N=C2)NC3=NC=C(C(=C3)C4=CC5=C(C(=C4)F)N=C(N5C(C)C)C)F

IUPAC Name

5-[(4-ethylpiperazin-1-yl)methyl]-N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyridin-2-yl]pyrimidin-2-amine

InChIKey

CMOYPFUEZDEQEH-UHFFFAOYSA-N

INCHI

1S/C27H32F2N8/c1-5-35-6-8-36(9-7-35)16-19-13-31-27(32-14-19)34-25-12-21(23(29)15-30-25)20-10-22(28)26-24(11-20)37(17(2)3)18(4)33-26/h10-15,17H,5-9,16H2,1-4H3,(H,30,31,32,34)

Isómeros SMILES

CCN1CCN(CC1)CC2=CN=C(N=C2)NC3=NC=C(C(=C3)C4=CC5=C(C(=C4)F)N=C(N5C(C)C)C)F

PubChem CID

91820696

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyridines and derivatives
      • Subclass Phenylpyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridines and derivatives
• Subclass: Phenylpyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyridines
• Alternative Parents: Benzimidazoles N-alkylpiperazines Aralkylamines Aminopyrimidines and derivatives Aminopyridines and derivatives N-substituted imidazoles Imidolactams Benzenoids Aryl fluorides Heteroaromatic compounds Trialkylamines Azacyclic compounds Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 4-phenylpyridine - Benzimidazole - Aminopyridine - Aminopyrimidine - Aralkylamine - N-alkylpiperazine - Aryl fluoride - Aryl halide - Imidolactam - Benzenoid - 1,4-diazinane - Pyrimidine - Piperazine - N-substituted imidazole - Heteroaromatic compound - Azole - Imidazole - Tertiary amine - Tertiary aliphatic amine - Azacycle - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organonitrogen compound - Organohalogen compound - Organofluoride - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond.
• 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

• Peso molecular: 506.600 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 7
• Exact Mass: 506.272 Da
• Monoisotopic Mass: 506.272 Da
• Topological Polar Surface Area: 75.000 Ų
• Heavy Atom Count: 37
• Formal Charge: 0
• Complexity: 715.000
• 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1800506-48-2. InChIKey CMOYPFUEZDEQEH-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.