TP2
| 中文名称 | TP2 |
|---|---|
| 中文同义词 | |
| 英文名称 | TP2 |
| 英文同义词 | Methyl 2-(perfluorobenzamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate;Thiophene-2;Thiophene-2 >=98% (HPLC);4H-Cyclohepta[b]thiophene-3-carboxylic acid, 5,6,7,8-tetrahydro-2-[(2,3,4,5,6-pentafluorobenzoyl)amino]-, methyl ester |
| CAS号 | 420089-51-6 |
| 分子式 | C18H14F5NO3S |
| 分子量 | 419.37 |
| EINECS号 | |
| 相关类别 | |
| Mol文件 | 420089-51-6.mol |
| 结构式 |  |
TP2 性质
| 沸点 | 463.5±45.0 °C(Predicted) |
|---|---|
| 密度 | 1.490±0.06 g/cm3(Predicted) |
| 储存条件 | 2-8°C |
| 溶解度 | DMSO：可溶10mg/mL，澄清 |
| 形态 | 粉末 |
| 酸度系数(pKa) | 10.33±0.20(Predicted) |
| 颜色 | 白色至米色 |
| InChI | 1S/C18H14F5NO3S/c1-27-18(26)9-7-5-3-2-4-6-8(7)28-17(9)24-16(25)10-11(19)13(21)15(23)14(22)12(10)20/h2-6H2,1H3,(H,24,25) |
| InChIKey | AVRWEULSKHQETA-UHFFFAOYSA-N |
| SMILES | O=C(OC)C1=C(NC(C2=C(F)C(F)=C(F)C(F)=C2F)=O)SC3=C1CCCCC3 |
Thiophene-2 (TP2) 是一种特定的 Pks13 抑制剂。Thiophene-2 抑制分枝酸的生物合成，并迅速导致分枝杆菌细胞死亡。Thiophene-2 对结核分枝杆菌具有活性，MIC 值为 1 μM，并具有有效的抗结核活性。
MIC: 1 μM ( Mycobacterium tuberculosis )
In vitro, TP inhibits fatty acyl-AMP loading onto Pks13. Thiophene-2 (TP2; 0-125 μM) inhibits loading of wild-type
Mycobacterium tuberculosis
(Mtb) Pks13 (Pks13_WT) in a dose-dependent manner. Thiophene-2 also inhibits palmitic acid (FL C16) loading onto the TP-resistant F79S mutant protein.
Thiophene-2 has an IC50 versus monkey kidney Vero cells and human liver carcinoma HepG2 cells of 17.5 and 7.30 μM, respectively. Significant intracellular killing activity within BCG-infected J774A.1 macrophage cells is observed at Thiophene-2 concentrations of 12.8 μM.
安全信息
| WGK Germany | 3 |
|---|---|
| 存储类别 | 11 - 可燃固体 |