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Palbociclib isethionate - 10mM in Water, high purity , CAS No.827022-33-3

COA

Grade & Purity:

10mM in Water

Cas Number: 827022-33-3
Molecular Weight: 573.66
PubChem CID: 11478676

In stock

Item Number

P426140

Grouped product items
SKU	Size	Availability	Price	Qty
P426140-1ml	1ml	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$69.90

Highly selective CDK4/6 inhibitor

View related series

Cell Cycle (2830) Compound libraries (12325)

Basic Description

Synonyms	tert-butoxycarbonyl homopiperazine \| 6-acetyl-8-cyclopentyl-5-methyl-2-((5-(piperazin-1-yl)pyridin-2-yl)amino)pyrido[2,3-d]pyrimidin-7(8H)-one 2-hydroxyethanesulfonate \| SCHEMBL9885062 \| Palbociclib (PD0332991) Isethionate \| 827022-33-3 (isethionate) \| PS
Specifications & Purity	10mM in Water
Biochemical and Physiological Mechanisms	PD 0332991 is a potent selective inhibitor of cyclin dependent kinases CDK4 and CDK6 with in vitro IC50 = 11 nM (CDK4) and 16 nM (CDK6). PD 0332991 induces G1 arrest in retinoblastoma (Rb)-positive tumor cells. PD 0332991 might act as a chemsensitizer. It
Storage Temp	Store at -80°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	Palbociclib (PD0332991) Isethionate is a highly selective inhibitor of CDK4/6 with IC50 of 11 nM/16 nM. It shows no activity against CDK1/2/5, EGFR, FGFR, PDGFR, InsR, etc. Phase 3.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Diazinanes
    - Subclass Piperazines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Diazinanes
Subclass	Piperazines
Intermediate Tree Nodes	Not available
Direct Parent	Pyridinylpiperazines
Alternative Parents	N-arylpiperazines Pyrido[2,3-d]pyrimidines Dialkylarylamines Aryl alkyl ketones Pyridinones Aminopyridines and derivatives Methylpyridines Aminopyrimidines and derivatives Imidolactams Vinylogous amides Sulfonyls Alkanesulfonic acids Organosulfonic acids Heteroaromatic compounds Lactams Dialkylamines Azacyclic compounds Hydrocarbon derivatives Primary alcohols Organic oxides
Molecular Framework	Not available
Substituents	Pyridinylpiperazine - N-arylpiperazine - Pyrido[2,3-d]pyrimidine - Pyridopyrimidine - Dialkylarylamine - Aryl alkyl ketone - Aryl ketone - Tertiary aliphatic/aromatic amine - Aminopyridine - Aminopyrimidine - Methylpyridine - Pyridinone - Pyridine - Pyrimidine - Imidolactam - Heteroaromatic compound - Vinylogous amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Alkanesulfonic acid - Tertiary amine - Ketone - Lactam - Azacycle - Secondary aliphatic amine - Secondary amine - Amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Primary alcohol - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Alcohol - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as pyridinylpiperazines. These are compounds containing a pyridinylpiperazine skeleton, which consists of a pyridine linked (not fused) to a piperazine by a bond by a single bond that is not part of a ring.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC 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
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
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
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
WGK Germany	3
Molecular Weight	573.66
Reaxy-Rn	13079983
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13079983&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	573.700 g/mol
XLogP3
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	7
Exact Mass	573.237 Da
Monoisotopic Mass	573.237 Da
Topological Polar Surface Area	186.000 Å²
Heavy Atom Count	40
Formal Charge	0
Complexity	892.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	2

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