NTRC 0066-0

• CAT Number: I033669
• CAS Number: 1817791-73-3
• Molecular Formula: C33H39N7O2
• Molecular Weight: 565.71
• Purity: ≥95%
• Synonyms: N-(2,6-diethylphenyl)-2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]-5,6-dihydropyrimido[4,5-e]indolizine-7-carboxamide
• InChI: 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)
• InChIKey: HGEIUFJVGHMGRR-UHFFFAOYSA-N
• SMILES: CCC1=C(C(=CC=C1)CC)NC(=O)C2=C3CCC4=CN=C(N=C4N3C=C2)NC5=C(C=C(C=C5)N6CCN(CC6)C)OC

NTRC 0066-0 is a selective threonine tyrosine kinase (TTK) inhibitor (IC50=0.9 nM). NTRC 0066-0 can be used for the research of cancer[1].
NTRC 0066-0 has a low selectivity entropy and a relatively long target residence time on TTK and inhibits the proliferation of diverse cancer cell lines with a potency in the same range as that of classic chemotherapeutic agents such as doxorubicin. NTRC 0066-0, has subnanomolar potency in a TTK enzyme assay and inhibits the proliferation of cancer cell lines from diverse tumor tissue origin with IC50 from 11 to 290 nM at 5-day incubation time[1].
NTRC 0066-0 inhibited tumor growth in a mouse xenograft model of the human triple-negative breast cancer (TNBC) cell line MDA-MB-231[1].

Reference

[1]. Uitdehaag JCM, et al. Target Residence Time-Guided Optimization on TTK Kinase Results in Inhibitors with Potent Anti-Proliferative Activity. J Mol Biol. 2017;429(14):2211-2230.
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