94164-88-2
中文名称
COMPOUND 3K
英文名称
PKM2 inhibitor
CAS
94164-88-2
分子式
C18H19NO2S2
分子量
345.48
MOL 文件
94164-88-2.mol
94164-88-2 结构式
基本信息
中文别名
PKM2抑制剂(化合物3K)PKM2抑制剂(PKM2-IN-1)
英文别名
PKM2-IN-1compound 3k
PKM2 inhibitor
PKM2 inhibitor 1
PKM2-IN-1
COMPOUND 3K
PKM2 inhibitor(compound 3k)
piperidine-1-carbodithioic acid 3-methyl-1,4-dioxo-1,4-dihydronaphthalen-2-ylmethyl ester
1-Piperidinecarbodithioic acid, (1,4-dihydro-3-methyl-1,4-dioxo-2-naphthalenyl)methyl ester
物理化学性质
沸点496.5±55.0 °C(Predicted)
密度1.302±0.06 g/cm3(Predicted)
储存条件Sealed in dry,Store in freezer, under -20°C
溶解度DMF: 1 mg/ml; DMSO: insol; Ethanol: insol; PBS (pH 7.2): insol
酸度系数(pKa)0.81±0.20(Predicted)
形态固体
颜色Light yellow to yellow
常见问题列表
生物活性
PKM2-IN-1 是一种丙酮酸激酶 M2 (PKM2) 抑制剂，其 IC50 值为 2.95 μM。靶点
IC50: 2.95 μM (PKM2)
体外研究
PKM2-IN-1 is a pyruvate kinase M2 (PKM2) inhibitor with an IC 50 of 2.95±0.53 μM. Results show that most of the tested compounds exhibit some degree of PKM2 inhibition and some compounds, such as PKM2-IN-1 (compound 3k) and 6d, display more potent activity than the positive control shikonin. The representative compounds PKM2-IN-1, 6d display dose-dependent inhibition of PKM2 with less inhibition of PKM1 and PKL like shikonin. Among all tested compounds, the most potent compounds are 3a, PKM2-IN-1 and 3r, which exhibit IC 50 values against HCT116 and Hela cells ranging from 0.39 to 0.41 μM, 0.18 to 0.29 μM and 0.18 to 0.38 μM, respectively.