中文名 | COMPOUND 3K |
英文名 | PKM2 inhibitor;PKM2-IN-1 |
别名 | PKM2抑制剂(化合物3K) 化合物PKM2 INHIBITOR PKM2抑制剂(PKM2-IN-1) |
英文别名 | PKM2-IN-1 compound 3k COMPOUND 3K PKM2 inhibitor PKM2 inhibitor 1 PKM2 inhibitor;PKM2-IN-1 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 |
CAS | 94164-88-2 |
化学式 | C18H19NO2S2 |
分子量 | 345.48 |
密度 | 1.302±0.06 g/cm3(Predicted) |
沸点 | 496.5±55.0 °C(Predicted) |
溶解度 | DMSO : 5.56 mg/mL (16.09 mM; 需要超声波);H2O: < 0.1 mg/mL (不溶) |
酸度系数 | 0.81±0.20(Predicted) |
存储条件 | Sealed in dry,Store in freezer, under -20°C |
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. |
1mg | 5mg | 10mg | |
---|---|---|---|
1 mM | 2.895 ml | 14.473 ml | 28.945 ml |
5 mM | 0.579 ml | 2.895 ml | 5.789 ml |
10 mM | 0.289 ml | 1.447 ml | 2.895 ml |
5 mM | 0.058 ml | 0.289 ml | 0.579 ml |
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