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Palbociclib (PD-0332991) Hydrochloride

CAT: 0957-S1116-10mM/1mLSize: 10 mM/1mLDry Ice: YesHazardous: No
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CAT#:0957-S1116-10mM/1mLSize:10 mM/1mL
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
827022-32-2
Target
CDK
Applications
Cell Cycle
Smiles
CC1=C (C (=O) N (C2=NC (=NC=C12) NC3=NC=C (C=C3) N4CCNCC4) C5CCCC5) C (=O) C.Cl
Molecular Formula
C24H29N7O2.HCl
Additionnal Information
Palbociclib (PD-0332991) HCl is a highly selective inhibitor of CDK4/6 with IC50 of 11 nM/16 nM in cell-free assays, respectively. It shows no activity against CDK1/2/5, EGFR, FGFR, PDGFR, InsR, etc. Phase 3.
Storage Conditions
2 years -80 in solvent

Chemical Information

Palbociclib hydrochloride
CAS Number827022-32-2
PubChem CID11431660
IUPAC Name6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one;hydrochloride
Molecular FormulaC24H30ClN7O2
Molecular Weight484.0
Topological Polar Surface Area103
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count34
Formal Charge0
Complexity775
SMILES
CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C.Cl
InChI
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
InChIKey
STEQOHNDWONVIF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Palbociclib hydrochloride
CAS: 827022-32-2
CID: 11431660
Formula: C24H30ClN7O2
MW: 484.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight484.0
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass483.2149509
Monoisotopic Mass483.2149509
Topological Polar Surface Area103 Ų
Heavy Atom Count34
Formal Charge0
Complexity775
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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