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90322-71-7

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Identification of novel PARP-1 inhibitors: Drug design, synthesis and biological evaluation
A series of AG014699 derivatives containing a novel scaffold of 2,3-dihydro-1H-[1,2]diazepino[4,5,6-cd]indole-1,4(6H)-dione were synthesized and evaluated for their inhibitory activities toward PARP-1 enzyme and two cell lines, MCF-7 cells and the BRCA1-deficient MDA-MB-436 cells. Our results demonstrated that of all AG014699 derivatives synthesized in this work, compounds 6 and 7 showed strong PARP-1 inhibitory activity (IC50 = 3.5 nM and 2.4 nM, respectively), only four and three times less potent than AG014699. Compound 6 also had significantly cell inhibitory activity against both MCF-7 cells (CC50 = 25.8 μM) and the BRCA1-deficient MDA-MB-436 cells (CC50 = 5.4 μM), nearly as good as AG014699, indicating that it can be a promising compound for further evaluation.
Xie, Zhouling,Zhou, Youli,Zhao, Wei,Jiao, He,Chen, Yu,Yang, Yong,Li, Zhiyu
p. 4557 - 4561
(2015/10/12)

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93534-73-7
3-Nitro-homophthalsaeure-dimethylester

Chemical Properties

Boiling Point: 398.638°C at 760 mmHg
Flash Point:194.889°C
Density: 1.594
Vapor Pressure: 0mmHg at 25°C
PKA: 2.66±0.15(Predicted)
PSA: 109.42000
LogP: 1.99290

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