COMPOUND 3K
| 中文名称 | COMPOUND 3K |
|---|---|
| 中文同义词 | PKM2抑制剂(化合物3K);PKM2抑制剂(PKM2-IN-1);化合物PKM2 INHIBITOR;(3-甲基-1,4-二氧代-1,4-二氢萘-2-基)甲基 哌啶-1-二硫代甲酸酯;化合物PKM2 INHIBITOR,10 MM DMSO 溶液 |
| 英文名称 | PKM2 inhibitor |
| 英文同义词 | PKM2 inhibitor;PKM2-IN-1;compound 3k;PKM2 inhibitor(compound 3k);PKM2-IN-1;COMPOUND 3K;piperidine-1-carbodithioic acid 3-methyl-1,4-dioxo-1,4-dihydronaphthalen-2-ylmethyl ester;PKM2 inhibitor 1;1-Piperidinecarbodithioic acid, (1,4-dihydro-3-methyl-1,4-dioxo-2-naphthalenyl)methyl ester |
| CAS号 | 94164-88-2 |
| 分子式 | C18H19NO2S2 |
| 分子量 | 345.48 |
| EINECS号 | |
| 相关类别 | 细胞生物学试剂 |
| Mol文件 | 94164-88-2.mol |
| 结构式 |  |
COMPOUND 3K 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：1mg/mL； DMSO: 不溶；乙醇：insol； PBS (pH 7.2)：不溶 |
| 形态 | 固体 |
| 酸度系数(pKa) | 0.81±0.20(Predicted) |
| 颜色 | 浅黄至黄色 |
| InChI | 1S/C18H19NO2S2/c1-12-15(11-23-18(22)19-9-5-2-6-10-19)17(21)14-8-4-3-7-13(14)16(12)20/h3-4,7-8H,2,5-6,9-11H2,1H3 |
| InChIKey | STAFOGVMELKGRI-UHFFFAOYSA-N |
| SMILES | S(CC2=C(C(=O)c3c(cccc3)C2=O)C)C(=S)N1CCCCC1 |
PKM2-IN-1 是一种丙酮酸激酶 M2 (PKM2) 抑制剂，其 IC50 值为 2.95 μM。
IC50: 2.95 μM (PKM2)
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.
安全信息
| WGK Germany | WGK 3 |
|---|---|
| 存储类别 | 11 - 可燃固体 |
| 危险性类别 | 急性毒性 类别4 经口 |
| 更新日期 | 产品编号 | 产品名称 | CAS号 | 包装 | 价格 |
|---|---|---|---|---|---|
| 2025/12/22 | HY-103617 | PKM2-IN-1 | 94164-88-2 | 1 mg | 320元 |
| 2025/12/22 | HY-103617 | COMPOUND 3K PKM2-IN-1 | 94164-88-2 | 5mg | 800元 |