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Palbociclib Isethionate

CAT: 0013-GTR19172041-05Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19172041-05Size:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Palbociclib Isethionate (PD 0332991 isethionate) is a potent and selective CDK4/6 inhibitor with IC50 values of 11 and 16 nM, respectively, and demonstrates high selectivity across kinases. It is widely used in cancer research, particularly for studying cell cycle arrest in breast cancer models, both in vitro and in vivo.
CAS Number
827022-33-3
Product Name Alternative
Inhibitor, inhibit, Palbociclib, Palbociclib (PD0332991) Isethionate, Palbociclib Isethionate, PD0332991, PD-0332991, PD 0332991, PD 0332991 isethionate, hepatocellular carcinoma, HER2, HCC, estrogen receptor, Cyclin dependent kinase, Breast cancer, CDK6/CyclinD2, CDK, CDK4/CyclinD1, CDK4/CyclinD3, cell cycle
Field of Research
Cell Biology, Pharmacology & Drug Discovery
Purity
99.01% (May vary between batches)
Solubility
DMSO:40 mg/mL (69.73 mM) ; H2O:57.4 mg/mL (100.06 mM)
Smiles
OCCS (O) (=O) =O.CC (=O) c1c (C) c2cnc (Nc3ccc (cn3) N3CCNCC3) nc2n (C2CCCC2) c1=O
Molecular Formula
C24H29N7O2·C2H6O4S
Molecular Weight
573.66
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Palbociclib Isethionate

Palbociclib Isethionate is the isethionate salt form of palbociclib, an orally available cyclin-dependent kinase (CDK) inhibitor with potential antineoplastic activity. Palbociclib selectively inhibits cyclin-dependent kinase 4 (CDK4) and 6 (CDK6), thereby inhibiting retinoblastoma (Rb) protein phosphorylation early in the G1 phase leading to cell cycle arrest. This suppresses DNA replication and decreases tumor cell proliferation. CDK4 and 6 are serine/threonine kinases that are upregulated in many tumor cell types and play a key role in the regulation of cell cycle progression.

CAS Number827022-33-3
PubChem CID11478676
IUPAC Name6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one;2-hydroxyethanesulfonic acid
Molecular FormulaC26H35N7O6S
Molecular Weight573.7
Topological Polar Surface Area186
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count12
Rotatable Bond Count7
Heavy Atom Count40
Formal Charge0
Complexity892
SMILES
CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C.C(CS(=O)(=O)O)O
InChI
InChI=1S/C24H29N7O2.C2H6O4S/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;3-1-2-7(4,5)6/h7-8,13-14,17,25H,3-6,9-12H2,1-2H3,(H,26,27,28,29);3H,1-2H2,(H,4,5,6)
InChIKey
LYYVFHRFIJKPOV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Palbociclib Isethionate
CAS: 827022-33-3
CID: 11478676
Formula: C26H35N7O6S
MW: 573.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight573.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count12
Rotatable Bond Count7
Exact Mass573.23695304
Monoisotopic Mass573.23695304
Topological Polar Surface Area186 Ų
Heavy Atom Count40
Formal Charge0
Complexity892
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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