Name: Name:N-[4-(1-Cyanocyclopentyl)phenyl]-2-[(4-pyridinylmethyl)amino]-3-pyridinecarboxamide
Brand: Angene
SKU: AG003A5W
Rating: 90 (10 reviews)

N-[4-(1-Cyanocyclopentyl)phenyl]-2-[(4-pyridinylmethyl)amino]-3-pyridinecarboxamide

CAS No.:

811803-05-1

Catalog Number:

AG003A5W

Molecular Formula:

C24H23N5O

Molecular Weight:

397.4723

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Product Description

Catalog Number:

AG003A5W

Chemical Name:

N-[4-(1-Cyanocyclopentyl)phenyl]-2-[(4-pyridinylmethyl)amino]-3-pyridinecarboxamide

CAS Number:

811803-05-1

Molecular Formula:

C24H23N5O

Molecular Weight:

397.4723

MDL Number:

MFCD21648511

IUPAC Name:

N-[4-(1-cyanocyclopentyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide

InChI:

InChI=1S/C24H23N5O/c25-17-24(11-1-2-12-24)19-5-7-20(8-6-19)29-23(30)21-4-3-13-27-22(21)28-16-18-9-14-26-15-10-18/h3-10,13-15H,1-2,11-12,16H2,(H,27,28)(H,29,30)

InChI Key:

WPEWQEMJFLWMLV-UHFFFAOYSA-N

SMILES:

N#CC1(CCCC1)c1ccc(cc1)NC(=O)c1cccnc1NCc1ccncc1

UNII:

5S371K6132

Properties

Complexity:

608

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

397.19g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

397.482g/mol

Monoisotopic Mass:

397.19g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

90.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.1

Literature

Title	Journal
Simultaneous determination of apatinib and its four major metabolites in human plasma using liquid chromatography-tandem mass spectrometry and its application to a pharmacokinetic study.	Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20120501
YN968D1 is a novel and selective inhibitor of vascular endothelial growth factor receptor-2 tyrosine kinase with potent activity in vitro and in vivo.	Cancer science 20110701
Apatinib (YN968D1) reverses multidrug resistance by inhibiting the efflux function of multiple ATP-binding cassette transporters.	Cancer research 20101015
Safety and pharmacokinetics of novel selective vascular endothelial growth factor receptor-2 inhibitor YN968D1 in patients with advanced malignancies.	BMC cancer 20100101

Properties