CRT0066101, protein kinase D inhibitor

Key facts

CAS number

1883545-60-5

Purity

>99%

Form

Solid

form

Molecular weight

411.3 Da

Molecular formula

C₁₈H₂₄Cl₂N₆O

PubChem

136664697

Nature

Synthetic

Solubility

Soluble in water to 100 mM

Biochemical name

(R)-2-(4-((2-aminobutyl)amino)pyrimidin-2-yl)-4-(1-methyl-1H-pyrazol-4-yl)phenol dihydrochloride

Biological description

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.

Also available in simple stock solutions (ab146740) - add 1 ml of water to get an exact, ready-to-use concentration.

Canonical smiles

CCC(CNC1=NC(=NC=C1)C2=C(C=CC(=C2)C3=CN(N=C3)C)O)N.Cl.Cl

Isomeric smiles

CC[C@H](CNC1=NC(=NC=C1)C2=C(C=CC(=C2)C3=CN(N=C3)C)O)N.Cl.Cl

InChi

InChI=1S/C18H22N6O.2ClH/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);2*1H/t14-;;/m1../s1

InChiKey

CXYCRYGNFKDPRH-FMOMHUKBSA-N

IUPAC Name

2-[4-[[(2R)-2-aminobutyl]amino]pyrimidin-2-yl]-4-(1-methylpyrazol-4-yl)phenol;dihydrochloride