2194903-42-7
中文名称
H3B-120
英文名称
H3B-120
CAS
2194903-42-7
分子式
C19H24N4O2S
分子量
372.48
MOL 文件
2194903-42-7.mol
更新日期
2024/09/03 15:27:18
2194903-42-7 结构式
基本信息
中文别名
化合物H3B-120N1-苄基-N1-甲基-N4-(4-甲基噻唑-2-基)哌啶-1,4-二甲酰胺
英文别名
H3B-120N1-Benzyl-N1-methyl-N4-(4-methylthiazol-2-yl)piperidine-1,4-dicarboxamide
物理化学性质
密度1.280±0.06 g/cm3(Predicted)
储存条件-20°C储存
溶解度DMSO: 62.5 mg/mL (167.79 mM)
酸度系数(pKa)8.28±0.70(Predicted)
形态Solid
颜色Off-white to yellow
常见问题列表
生物活性
H3B-120 是一种竞争性的、选择性的 carbamoyl phosphate synthetase 1 (CPS1) 变构抑制剂，其IC50值为1.5 μM，其Ki值为1.4 μM。H3B-120 表现出抗肿瘤活性。靶点
| Target | Value |
|
CPS1
(Cell-free assay) | 1.4 μM(Ki) |
|
CPS1
(Cell-free assay) | 1.5 μM |
体外研究
H3B-120 has no inhibition of CPS2 activity of CAD (CPS2, aspartyl transcarbamylase, dihydroorotase).
H3B-120 achieves inhibition by binding to an allosteric pocket situated between the integrating and ATP A domains.
H3B-120 (25, 50, 75, 100 μM) inhibits urea production in a dose-dependent manner, although the cellular potency decreases significantly compared with enzymatic assays.
The half-life of H3B-120 is only 40 min.