420089-51-6
420089-51-6 結(jié)構(gòu)式
基本信息
英文別名
Thiophene-2Thiophene-2 >=98% (HPLC)
Methyl 2-(perfluorobenzamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
物理化學(xué)性質(zhì)
沸點(diǎn)463.5±45.0 °C(Predicted)
密度1.490±0.06 g/cm3(Predicted)
儲(chǔ)存條件2-8°C
溶解度DMSO：可溶10mg/mL，澄清
酸度系數(shù)(pKa)10.33±0.20(Predicted)
形態(tài)粉末
顏色白色至米色
InChI1S/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)
InChIKeyAVRWEULSKHQETA-UHFFFAOYSA-N
SMILESO=C(OC)C1=C(NC(C2=C(F)C(F)=C(F)C(F)=C2F)=O)SC3=C1CCCCC3
常見(jiàn)問(wèn)題列表
生物活性
Thiophene-2 (TP2) 是一種特定的 Pks13 抑制劑。Thiophene-2 抑制分枝酸的生物合成，并迅速導(dǎo)致分枝桿菌細(xì)胞死亡。Thiophene-2 對(duì)結(jié)核分枝桿菌具有活性，MIC 值為 1 μM，并具有有效的抗結(jié)核活性。靶點(diǎn)
MIC: 1 μM ( Mycobacterium tuberculosis )
體外研究
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.