94164-88-2
中文名稱
COMPOUND 3K
英文名稱
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 結(jié)構(gòu)式
基本信息
中文別名
PKM2抑制劑(化合物3K)PKM2抑制劑(PKM2-IN-1)
英文別名
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
物理化學性質(zhì)
沸點496.5±55.0 °C(Predicted)
密度1.302±0.06 g/cm3(Predicted)
儲存條件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
酸度系數(shù)(pKa)0.81±0.20(Predicted)
形態(tài)固體
顏色Light yellow to yellow
InChI1S/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
InChIKeySTAFOGVMELKGRI-UHFFFAOYSA-N
SMILESS(CC2=C(C(=O)c3c(cccc3)C2=O)C)C(=S)N1CCCCC1
安全數(shù)據(jù)
COMPOUND 3K價格(試劑級)
| 報價日期 | 產(chǎn)品編號 | 產(chǎn)品名稱 | CAS號 | 包裝 | 價格 |
| 2026/06/05 | HY-103617 | PKM2-IN-1 | 94164-88-2 | 1 mg | 320元 |
| 2026/06/05 | HY-103617 | COMPOUND 3K PKM2-IN-1 | 94164-88-2 | 5mg | 800元 |
| 2026/06/05 | HY-103617 | COMPOUND 3K PKM2-IN-1 | 94164-88-2 | 10mM * 1mLin DMSO | 880元 |
常見問題列表
生物活性
PKM2-IN-1 是一種丙酮酸激酶 M2 (PKM2) 抑制劑，其 IC50 值為 2.95 μM。靶點
IC50: 2.95 μM (PKM2)
體外研究
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.