Palbociclib

CAT: 0804-HY-50767-04Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-50767-04Size:100 mg

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Description

Palbociclib (PD 0332991) is an orally active selective CDK4 and CDK6 inhibitor with IC50 values of 11 and 16 nM, respectively. Palbociclib has potent anti-proliferative activity and induces cell cycle arrest in cancer cells, which can be used in the research of HR-positive and HER2-negative breast cancer and hepatocellular carcinoma[1][3][4].

CAS Number

571190-30-2

Product Name Alternative

PD 0332991

UNSPSC

12352005

Hazard Statement

H341, H361, H373, H411

Target

CDK

Type

Reference compound

Related Pathways

Cell Cycle/DNA Damage

Applications

Cancer-Kinase/protease

Field of Research

Cancer

Assay Protocol

https://www.medchemexpress.com/Palbociclib.html

Purity

99.97

Solubility

0.1 M HCl : 25 mg/mL (ultrasonic; warming; heat to 60°C) |DMSO : 5 mg/mL (ultrasonic; adjust pH to 5 with HCl)

Smiles

O=C1C(C(C)=O)=C(C2=CN=C(N=C2N1C3CCCC3)NC4=CC=C(N5CCNCC5)C=N4)C

Molecular Formula

C24H29N7O2

Molecular Weight

447.53

Precautions

H341, H361, H373, H411

References & Citations

[1]Fry DW, et al. Specific inhibition of cyclin-dependent kinase 4/6 by PD 0332991 and associated antitumor activity in human tumor xenografts. Mol Cancer Ther. 2004 Nov;3 (11) :1427-38. |[2]Goel S, et al. CDK4/6 inhibition triggers anti-tumour immunity. Nature. 2017 Aug 24;548 (7668) :471-475. |[3]Richard S Finn, et al. PD 0332991, a selective cyclin D kinase 4/6 inhibitor, preferentially inhibits proliferation of luminal estrogen receptor-positive human breast cancer cell lines in vitro. Breast Cancer Res. 2009;11 (5) :R77. |[4]Bollard J, et al. Palbociclib (PD-0332991), a selective CDK4/6 inhibitor, restricts tumour growth in preclinical models of hepatocellular carcinoma. Gut. 2017 Jul;66 (7) :1286-1296.

Shipping Conditions

Room Temperature

Storage Conditions

4°C (Powder, protect from light)

Scientific Category

Reference compound1

Clinical Information

Launched

Isoform

CDK4; CDK6

Citation 01

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 Number	571190-30-2
PubChem CID	5330286
IUPAC Name	6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
Molecular Formula	C24H29N7O2
Molecular Weight	447.5
XLogP	1.8
Topological Polar Surface Area	103
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	5
Heavy Atom Count	33
Formal Charge	0
Complexity	775

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

CAS: 571190-30-2

CID: 5330286

Formula: C24H29N7O2

MW: 447.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	447.5
XLogP3	1.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	5
Exact Mass	447.23827319
Monoisotopic Mass	447.23827319
Topological Polar Surface Area	103 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	775
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Catalog	Name
BA3750-1000	Palbociclib

Palbociclib

Chemical Information

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