Analyte Name

Cdk4/6 Inhibitor IV-labelled

Molecular Formula

C27 D7 H25 N6 O

Molecular Weight

463.626

Accurate Mass

463.308

SMILES

[2H]c1c([2H])c([2H])c(c([2H])c1[2H])C([2H])([2H])n2ccc3cc(Nc4nc(NCC)cc(N[C@@H]5CC[C@@H](O)CC5)n4)ccc23

InChI

InChI=1S/C27H32N6O/c1-2-28-25-17-26(29-21-8-11-23(34)12-9-21)32-27(31-25)30-22-10-13-24-20(16-22)14-15-33(24)18-19-6-4-3-5-7-19/h3-7,10,13-17,21,23,34H,2,8-9,11-12,18H2,1H3,(H3,28,29,30,31,32)/t21-,23-/i3D,4D,5D,6D,7D,18D2

IUPAC

4-[[2-[[1-[dideuterio-(2,3,4,5,6-pentadeuteriophenyl)methyl]indol-5-yl]amino]-6-(ethylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol

Unlabelled CAS Number

359886-84-3

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat