Palbociclib Impurity 35 - CAS 775288-71-6

Name: Palbociclib Impurity 35
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB035974
Product Name:	Palbociclib Impurity 35
CAS:	775288-71-6
Synonyms:	1-(6-Nitro-3-pyridinyl)piperazine; 1-(6-Nitropyridin-3-yl)piperazine

Technical Data

IUPAC Name:	1-(6-nitropyridin-3-yl)piperazine
Description:	Palbociclib Impurity 35 is an impurity of Palbociclib, a medication for the treatment of HR-positive and HER2-negative breast cancer. It is a selective inhibitor of the cyclin-dependent kinases CDK4 and CDK6.
Molecular Weight:	208.22
Molecular Formula:	C9H12N4O2
Canonical SMILES:	C1CN(CCN1)C2=CN=C(C=C2)[N+](=O)[O-]
InChI:	InChI=1S/C9H12N4O2/c14-13(15)9-2-1-8(7-11-9)12-5-3-10-4-6-12/h1-2,7,10H,3-6H2
InChI Key:	UBCDLQPOKISIDX-UHFFFAOYSA-N
Boiling Point:	422.8±40.0 °C at 760 mmHg
Density:	1.3±0.1 g/cm3
Solubility:	Soluble in Chloroform
Appearance:	Yellow Solid
Storage:	Store at -20°C
LogP:	1.31640

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-110746418-A	Impurities of thujaplicin and preparation method thereof	20191101
TW-202041510-A	Preparation method of ribociclib and its salt and crystalline form thereof	20190510
TW-I718533-B	Preparation method of ribociclib and its salt and crystalline form thereof	20190510
WO-2020224568-A1	Cdk inhibitors	20190505
WO-2020222256-A1	Polymorphs of 7-cyclopentyl-n,n-dimethyl-2-{[5-(piperazin-1-yl) pyridin-2-yl]-amino}-7h-pyrrolo[2,3-d]pyrimidine-6-carboxamide and its pharmaceutically acceptable salts and process for the preparation thereof	20190429

Complexity:	225
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	208.09602564
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	208.09602564
Rotatable Bond Count:	1
Topological Polar Surface Area:	74 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5