NTRC-0066-0

Name: NTRC-0066-0
CAS#: 1817791-73-3
Chemical Formula: C33H39N7O2
Exact Mass: 565.3165
Molecular Weight: 565.722
Elemental Analysis: C, 70.06; H, 6.95; N, 17.33; O, 5.66

Description: NTRC-0066-0 is a a highly potent and selective small molecule inhibitor of TTK. In cell lines and in mice, NTRC 0066-0 inhibits the phosphorylation of a TTK substrate and induces chromosome missegregation. NTRC 0066-0 inhibits tumor growth in MDA-MB-231 xenografts as a single agent after oral application. The combination of NTRC 0066-0 with a therapeutic dose of docetaxel resulted in doubling of mouse survival and extended tumor remission, without toxicity.

IUPAC/Chemical Name: 8-[2-Methoxy-4-(4-methyl-piperazin-1-yl)-phenylamino]-4,5-dihydro-7,9,9b-triaza-cyclopenta[a]naphthalene-3-carboxylic acid (2,6-diethyl-phenyl)-amide

InChi Key: HGEIUFJVGHMGRR-UHFFFAOYSA-N

InChi Code: InChI=1S/C33H39N7O2/c1-5-22-8-7-9-23(6-2)30(22)36-32(41)26-14-15-40-28(26)13-10-24-21-34-33(37-31(24)40)35-27-12-11-25(20-29(27)42-4)39-18-16-38(3)17-19-39/h7-9,11-12,14-15,20-21H,5-6,10,13,16-19H2,1-4H3,(H,36,41)(H,34,35,37)

SMILES Code: O=C(C(C=C1)=C2N1C3=NC(NC4=CC=C(N5CCN(C)CC5)C=C4OC)=NC=C3CC2)NC6=C(CC)C=CC=C6CC

Appearance: Solid powder