2057420-00-3

中文名称化合物 T26900

英文名称 BRD-7539

CAS 2057420-00-3

分子式 C23H22FN3O2

分子量 391.44

MOL 文件 2057420-00-3.mol

2057420-00-3 结构式

基本信息物理化学性质应用领域常见问题列表

基本信息

中文别名

化合物 T26900

英文别名

BRD7539
BRD-7539
BRD 7539

物理化学性质

沸点643.3±55.0 °C(Predicted)

密度1.29±0.1 g/cm3(Predicted)

酸度系数(pKa)13.89±0.70(Predicted)

应用领域

用途一

BRD7539B is a Dihydroorotate dehydrogenase (DHODH) inhibitor . RD7539 had shown to target PfDHODH (IC50 = 0.033 μM) selectively over human (Hs) DHODH (IC50 > 50 μM). BRD7539 was reported to have potent activity against both multidrug-resistant asexual blood-stage (P. falciparum, Dd2_x000D_ strain, EC50 = 0.010 μM) and liver-stage (P. berghei, EC50 =0.015 μM) parasites but no activity against sexual blood-stage (P. falciparum, stages IV?V, EC50 > 20 μM) parasites. BRD7539 is an azetidine carbonitrile with three contiguous stereocenters (2S,3S,4S), and stereochemistry-based structure?_x000D_ activity relationships (SSARs) showed that only two of eight possible stereoisomers are active.

常见问题列表

概述

BRD7539 是一种 PfDHODH 抑制剂（IC50 = 0.033 μM）。BRD7539 对多重耐药无性血液阶段 (恶性疟原虫 (P. falciparum), Dd2 株，EC50 = 0.010 μM) 和肝阶段 (伯氏疟原虫 (P. berghei), EC50 = 0.015 μM) 寄生虫均具有强效活性。