CRT0066101 (hydrochloride)

• CAT Number: R065034
• CAS Number: 1290629-45-6
• Molecular Formula: C18H23ClN6O
• Molecular Weight: 374.873
• Purity: ≥95%
• Synonyms: 2-[4-[[(2R)-2-aminobutyl]amino]-2-pyrimidinyl]-4-(1-methyl-1H-pyrazol-4-yl)-phenol, trihydrochloride
• Storage: -20°C
• IUPAC Name: (6E)-6-[6-[[(2R)-2-aminobutyl]amino]-1H-pyrimidin-2-ylidene]-4-(1-methylpyrazol-4-yl)cyclohexa-2,4-dien-1-one;hydrochloride
• InChI: InChI=1S/C18H22N6O.ClH/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;/h4-9,11,14,21,23H,3,10,19H2,1-2H3;1H/b18-15-;/t14-;/m1./s1
• InChIKey: UILBKFORRWWROM-VPEJCPKTSA-N
• SMILES: CCC(CNC1=CC=NC(=C2C=C(C=CC2=O)C3=CN(N=C3)C)N1)N.Cl

Protein kinase D (PKD) is a serine/threonine protein kinase that is activated by diacylglycerol, commonly downstream of PKC signaling. The three human PKD isoforms target a variety of proteins to alter cell proliferation, survival, invasion, and protein transport. CRT0066101 is an inhibitor of all three PKD isoforms (IC50s = 1, 2.5, and 2 nM for PKD1, PKD2, and PKD3, respectively). It exhibits selectivity for PKD against a panel of >90 protein kinases, including PKCα, PKBα, MEK, ERK, c-Raf, c-Src, and c-Abl. It can block cell proliferation, induce apoptosis, and reduce the viability of pancreatic cancer cells both in vitro and in vivo.

Reference

1.Harikumar, K.B.,Kunnumakkara, A.B.,Ochi, N., et al. A novel small-molecule inhibitor of protein kinase D blocks pancreatic cancer growth in vitro and in vivo. Molecular Cancer Therapeutics 9(5), 1136-1146 (2010).