PD0332991 HCl - ≥98% , CAS No.827022-32-2

CAS: 827022-32-2 Cat. No.: E129959 Fórmula: C₂₄H₂₉N₇O₂·HCl Peso molecular: 483.99

GRADE & PURITY ≥98%

Synonyms

FT-0700370 | Palbociclib (hydrochloride) | PD-0332991 hydrochloride | AKOS000120736 | Pyrido(2,3-d)pyrimidin-7(8H)-one, 6-acetyl-8-cyclopentyl-5-methyl-2-((5-(1-piperazinyl)-2-pyridinyl)amino)-, hydrochloride (1:1) | MFCD22420809 | EX-A025 | 827022-32-2,

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Palbociclib (PD-0332991) HCl is a highly selective inhibitor of CDK4/6 with IC50 of 11 nM/16 nM respectively. It shows no activity against CDK1/2/5, EGFR, FGFR, PDGFR, InsR, etc. Phase 3.
A highly selective inhibitor of Cdk4/cyclin D1 and Cdk6/cyclin D2.

Specifications

Sinónimos

FT-0700370 | Palbociclib (hydrochloride) | PD-0332991 hydrochloride | AKOS000120736 | Pyrido(2,3-d)pyrimidin-7(8H)-one, 6-acetyl-8-cyclopentyl-5-methyl-2-((5-(1-piperazinyl)-2-pyridinyl)amino)-, hydrochloride (1:1) | MFCD22420809 | EX-A025 | 827022-32-2,

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

PD 0332991 is a highly selective inhibitor of Cdk4/cyclin D1 and Cdk6/cyclin D2 (IC50’s: Cdk4 = 11 nM; Cdk6 = 16 nM). PD 0332991 has little effect on other protein kinases including EGFR, FGFR, PGFR, and IR. PD 0332991 is a non-ATP competitive inhibitor o

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.

Pureza

≥98%

Nombres e identificadores

Pubchem Sid

504766411

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504766411

Sonrisas canónicas

CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C.Cl

IUPAC Name

6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperazin-1-ylpyridin-2-yl)amino]pyrido[2,3-d]pyrimidin-7-one;hydrochloride

InChIKey

STEQOHNDWONVIF-UHFFFAOYSA-N

INCHI

1S/C24H29N7O2.ClH/c1-15-19-14-27-24(28-20-8-7-18(13-26-20)30-11-9-25-10-12-30)29-22(19)31(17-5-3-4-6-17)23(33)21(15)16(2)32;/h7-8,13-14,17,25H,3-6,9-12H2,1-2H3,(H,26,27,28,29);1H

Isómeros SMILES

CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C.Cl

Peso molecular

483.99

Reaxy-Rn

14353643

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14353643&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinylpiperazines
• Alternative Parents: N-arylpiperazines Pyrido[2,3-d]pyrimidines Aryl alkyl ketones Dialkylarylamines Pyridinones Aminopyridines and derivatives Methylpyridines Aminopyrimidines and derivatives Imidolactams Vinylogous amides Heteroaromatic compounds Lactams Azacyclic compounds Dialkylamines Hydrocarbon derivatives Organic oxides Hydrochlorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyridinylpiperazine - N-arylpiperazine - Pyridopyrimidine - Pyrido[2,3-d]pyrimidine - Tertiary aliphatic/aromatic amine - Aryl ketone - Aryl alkyl ketone - Dialkylarylamine - Pyridinone - Aminopyridine - Aminopyrimidine - Methylpyridine - Imidolactam - Pyrimidine - Pyridine - Vinylogous amide - Heteroaromatic compound - Ketone - Tertiary amine - Lactam - Secondary aliphatic amine - Azacycle - Secondary amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Amine - Organic nitrogen compound - Hydrochloride - Organic oxygen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyridinylpiperazines. These are compounds containing a pyridinylpiperazine skeleton, which consists of a pyridine linked (not fused) to a piperazine by a bond by a single bond that is not part of a 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

Objetivos asociados (humanos)

CDK4 Tclin Cyclin-dependent kinase 4/cyclin D1 (2340 Activities)

Discover Target: CDK4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

FGFR3 Tclin Fibroblast growth factor receptor (331 Activities)

Discover Target: FGFR3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CDK2 Tchem CDK2/Cyclin A2 (2260 Activities)

Discover Target: CDK2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Objetivos asociados (no humanos)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in water (30 mg/ml at 25 °C), DMSO (3 mg/ml at 25 °C), and ethanol (< 1 mg/ml at 25 °C).
• Peso molecular: 484.000 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 483.215 Da
• Monoisotopic Mass: 483.215 Da
• Topological Polar Surface Area: 103.000 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 775.000
• 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

XLogP3