Palbociclib Isethionate (PD 0332991 isethionate) is a highly selective CDK4/6 inhibitor with IC50 of 11 nM and 16 nM. It has no inhibitory effect on a group of 36 additional protein kinases.

 

Brand: BCM

 

Target: CDK

 

Signaling Pathways: Cell Cycle/Checkpoint

 

In Vitro: PD 0332991 is a highly specific inhibitor of Cdk4 (IC50, 0.011 micromol/L) and Cdk6 (IC50, 0.016 micromol/L). It is a potent antiproliferative agent against retinoblastoma (Rb)-positive tumor cells in vitro, inducing an exclusive G1 arrest, with a concomitant reduction of phospho-Ser780/Ser795 on the Rb protein. In all of the cell lines except KP-MRT-YM, PD 0332991 inhibited cell proliferation >50% (IC50 values 0.01 to 0.6 μM), and induced G1-phase cell cycle arrest. The sensitivity of the MRT cell lines to PD 0332991 was inversely correlated with p16 expression. KP-MRT-YM cells overexpress p16 and were resistant to the growth inhibitory effect of PD 0332991. Cell lines representing luminal estrogen receptor-positive (ER+) subtype (including those that are HER2 amplified) were most sensitive to growth inhibition by PD 0332991 while nonluminal/basal subtypes were most resistant.

 

In Vivo: Oral administration of PD 0332991 to mice bearing the Colo-205 human colon carcinoma produces marked tumor regression. Therapeutic doses of PD 0332991 cause elimination of phospho-Rb and the proliferative marker Ki-67 in tumor tissue and down-regulation of genes under the transcriptional control of E2F.

 

Solubility: Soluble in Water. Insoluble in DMSO; Insoluble in Ethanol.

 

GHS: GHS06

 

Isomeric 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  

 

InChIKey: LYYVFHRFIJKPOV-UHFFFAOYSA-N  

 

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) 

 

Attribute
[CAS No.]	827022-33-3
[Formula]	C24H29N7O2.C2H6O4S
[Molecular]	573.66
[Chem Name]	6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperazin-1-ylpyridin-2-yl)amino]pyrido[2,3-d]pyrimidin-7-one;2-hydroxyethanesulfonic acid
[Synonym]	Palbociclib isethionate; Palbociclib (PD0332991) Isethionate
[Storage]	Sealed in dry. Room Temperature
[EINECS]	804-556-2
[MDL No.]	MFCD22666589
[Form]	White to beige powder

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