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Asciminib-[13C6]

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General Information
Catalog: BLP-000978
Molecular Formula: C14[13C]6H18ClF2N5O3
Molecular Weight: 455.80

Chemical Structure

Description	Asciminib-[13C6] is the labelled analogue of Asciminib. Asciminib, also known as ABL-001, is a potent and selective allosteric Bcr-Abl inhibitor. Asciminib inhibits Ba/F3 cell growth with an IC50 of 0.25 nM.
Synonyms	[13C6]-Asciminib; [13C6]-ABL001; [13C6]-ABL-001; [13C6]-L1F3R18W77; [13C6]-UNII-L1F3R18W77; (R)-N-(4-(chlorodifluoromethoxy)phenyl-1,2,3,4,5,6-13C6)-6-(3-hydroxypyrrolidin-1-yl)-5-(1H-pyrazol-5-yl)nicotinamide
IUPAC Name	N-[4-[chloro(difluoro)methoxy](1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide
Related CAS	1492952-76-7 (unlabelled)
Canonical SMILES	C1CN(CC1O)C2=C(C=C(C=N2)C(=O)NC3=CC=C(C=C3)OC(F)(F)Cl)C4=CC=NN4
InChI	InChI=1S/C20H18ClF2N5O3/c21-20(22,23)31-15-3-1-13(2-4-15)26-19(30)12-9-16(17-5-7-25-27-17)18(24-10-12)28-8-6-14(29)11-28/h1-5,7,9-10,14,29H,6,8,11H2,(H,25,27)(H,26,30)/t14-/m1/s1/i1+1,2+1,3+1,4+1,13+1,15+1
InChI Key	VOVZXURTCKPRDQ-OIPSRKIYSA-N