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Palbociclib

CAT: 0931-T1785-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0931-T1785-01Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
571190-30-2
Target
CDK
Related Pathways
Cell Cycle/Checkpoint
Purity
0.999
Bioactivity
Palbociclib (PD 0332991) is a CDK inhibitor that inhibits CDK4 and CDK6 (IC50=11/16 nM) and is orally active. Palbociclib has anti-tumorigenic activity and has investigational potential for use in ER-positive and HER2-negative breast cancer.
Smiles
O=C1N(C=2C(C(C)=C1C(C)=O)=CN=C(NC3=CC=C(C=N3)N4CCNCC4)N2)C5CCCC5
Molecular Formula
C24H29N7O2
Molecular Weight
447.53
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Palbociclib

Palbociclib is a member of the class of pyridopyrimidines that is 2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}pyrido[2,3-d]pyrimidin-7-one bearing additional methyl, acetyl and cyclopentyl substituents at positions 5, 6 and 8 respectively. It is used in combination with letrozole for the treatment of metastatic breast cancer. It has a role as an antineoplastic agent and an EC 2.7.11.22 (cyclin-dependent kinase) inhibitor. It is a member of cyclopentanes, a member of piperidines, an aminopyridine, a pyridopyrimidine, a secondary amino compound, a tertiary amino compound and an aromatic ketone.

CAS Number571190-30-2
PubChem CID5330286
IUPAC Name6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
Molecular FormulaC24H29N7O2
Molecular Weight447.5
XLogP1.8
Topological Polar Surface Area103
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count33
Formal Charge0
Complexity775
SMILES
CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C
InChI
InChI=1S/C24H29N7O2/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)
InChIKey
AHJRHEGDXFFMBM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Palbociclib
CAS: 571190-30-2
CID: 5330286
Formula: C24H29N7O2
MW: 447.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight447.5
XLogP31.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass447.23827319
Monoisotopic Mass447.23827319
Topological Polar Surface Area103 Ų
Heavy Atom Count33
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 Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS3605080-01Palbociclib

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