6-Bromo-8-cyclopentyl-2-[[5-(4-Boc-1-piperazinyl)-2-pyridyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7(8H)-one - CAS 571188-82-4

Catalog:	BB029587
Product Name:	6-Bromo-8-cyclopentyl-2-[[5-(4-Boc-1-piperazinyl)-2-pyridyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7(8H)-one
CAS:	571188-82-4
Synonyms:	4-[6-[(6-bromo-8-cyclopentyl-5-methyl-7-oxo-2-pyrido[2,3-d]pyrimidinyl)amino]-3-pyridinyl]-1-piperazinecarboxylic acid tert-butyl ester; tert-butyl 4-[6-[(6-bromo-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridin-3-yl]piperazine-1-carboxylate

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Catalog	Size	Price	Stock	Quantity
BB029587	100 mg	$329	In stock

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IUPAC Name:	tert-butyl 4-[6-[(6-bromo-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridin-3-yl]piperazine-1-carboxylate
Description:	An impurity of Palbociclib, a selective inhibitor of cyclin-dependent kinases CDK4 and CDK6. Palbociclib is developed for the treatment of ER-positive and HER2-negative breast cancer.
Molecular Weight:	584.51
Molecular Formula:	C27H34BrN7O3
Canonical SMILES:	CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCN(CC4)C(=O)OC(C)(C)C)C5CCCC5)Br
InChI:	InChI=1S/C27H34BrN7O3/c1-17-20-16-30-25(32-23(20)35(24(36)22(17)28)18-7-5-6-8-18)31-21-10-9-19(15-29-21)33-11-13-34(14-12-33)26(37)38-27(2,3)4/h9-10,15-16,18H,5-8,11-14H2,1-4H3,(H,29,30,31,32)
InChI Key:	UTSOLZWQDXJQRH-UHFFFAOYSA-N
Boiling Point:	720 °C at 760 mmHg
Density:	1.439 g/cm³
MDL:	MFCD09834002
LogP:	5.24910

Publication Number	Title	Priority Date
CN-108283940-B	Preparation method of palbociclib intermediate	20180122
WO-2018073574-A1	Polymorphic forms of palbociclib	20161020
WO-2018065999-A1	Novel polymorph of an intermediate for palbociclib synthesis	20161007
US-2019241561-A1	Process for preparation of palbociclib	20160704
WO-2018007927-A1	Process for preparation of palbociclib	20160704

Complexity:	911
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	583.19065
Formal Charge:	0
Heavy Atom Count:	38
Hydrogen Bond Acceptor Count:	8
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	583.19065
Rotatable Bond Count:	6
Topological Polar Surface Area:	104
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.1

6-Bromo-8-cyclopentyl-2-[[5-(4-Boc-1-piperazinyl)-2-pyridyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7(8H)-one - CAS 571188-82-4

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