Sorafenib Impurity 2 - CAS 220000-87-3

Name: Sorafenib Impurity 2
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB017264
Product Name:	Sorafenib Impurity 2
CAS:	220000-87-3
Synonyms:	4-Chloro-N-methyl-2-pyridinecarboxamide; 4-Chloro-N-methylpicolinamide; 4-Chloropyridine-2-carboxylic acid methylamide; N-Methyl-4-chloro-2-pyridinecarboxamide; N-Methyl-4-chloropicolinamide

Technical Data

IUPAC Name:	4-chloro-N-methylpyridine-2-carboxamide
Description:	Sorafenib Impurity 2 is an impurity of Sorafenib, which is a kinase inhibitor drug used for the treatment of primary kidney cancer (advanced renal cell carcinoma), advanced primary liver cancer (hepatocellular carcinoma), FLT3-ITD positive AML and radioactive iodine resistant advanced thyroid carcinoma.
Molecular Weight:	170.60
Molecular Formula:	C7H7ClN2O
Canonical SMILES:	CNC(=O)C1=NC=CC(=C1)Cl
InChI:	InChI=1S/C7H7ClN2O/c1-9-7(11)6-4-5(8)2-3-10-6/h2-4H,1H3,(H,9,11)
InChI Key:	BGVBBMZMEKXUTR-UHFFFAOYSA-N
Boiling Point:	317.8±27.0 °C (Predicted)
Melting Point:	41-43 °C
Purity:	≥95%
Density:	1.264±0.06 g/cm³ (Predicted)
Solubility:	Soluble in Chloroform (Slightly), Dichloromethane (Slightly), Ethyl Acetate (Slightly), Methanol (Very Slightly)
Appearance:	Off-white to light yellow low-melting solid
Storage:	Store at -20°C
MDL:	MFCD02185921
LogP:	1.48550

GHS Hazard Statement:	H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
US-2021275518-A1	Methods of using rebastinib in the treatment of disorders	20200306
WO-2021178789-A1	Methods of using rebastinib in the treatment of different cancerous disorders	20200306
CN-112851577-A	Preparation method of regorafenib	20191126
CN-110642837-A	Pyridine amide compound containing triazole or quinolinone structure and application thereof	20191107
CN-112624967-A	Sorafenib mercapto derivative and application thereof	20191008

Complexity:	151
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	170.0246905
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	170.0246905
Rotatable Bond Count:	1
Topological Polar Surface Area:	42 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1