CRT0066101 (mM/ml), protein kinase D inhibitor

Key facts

精製度

>99%

製品の状態

Solid

form

分子量

411.33 g/mol

分子式

C₁₈H₂₂N₆O.₂HCl

由来

Synthetic

溶解性

Soluble in 1ml of water to give specified mM/ml concentration

生物学的記述

Potent and selective protein kinase D inhibitor (IC₅₀ values are 1, 2 and 2.5 nM at PKD1, PKD3 and PKD2, respectively). Reduces proliferation of pancreatic cancer cells. Orally active. Antitumor agent. Active in vivo and in vitro.

Isomeric smiles

CL.CL.CN1CC(CN1)C3CC(C2NC(NC[C@H](N)CC)CCN2)C(O)CC3

InChi

InChI=1S/C18H22N6O/c1-3-14(19)10-21-17-6-7-20-18(23-17)15-8-12(4-5-16(15)25)13-9-22-24(2)11-13/h4-9,11,14,25H,3,10,19H2,1-2H3,(H,20,21,23)/t14-/m1/s1

InChiKey

SCJXQZZYGYLKJG-CQSZACIVSA-N

IUPAC名

2-[4-[[(2R)-2-Aminobutyl]amino]pyrimidin-2-yl]-4-(1-methyl-1H-pyrazol-4-yl)phenol dihydrochloride