3,6-二氯-2-苯并噻吩羧酸
| 中文名称 | 3,6-二氯-2-苯并噻吩羧酸 |
|---|---|
| 中文同义词 | 3,6-二氯苯并[B]噻吩-2-羧酸;3,6-二氯-1-苯并噻吩-2-羧酸;3,6-二氯-2-苯并噻吩羧酸;3,6-二氯苯并噻吩-2-羧酸;3,6-二氯苯并噻吩-2-甲酸;3,6-二氯苯并[B]噻吩-2-甲酸;3,6-二氯-2-苯并噻吩羧酸,10 MM DMSO 溶液;化合物:BT2 CAS:34576-94-8 |
| 英文名称 | 3,6-DICHLORO-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID |
| 英文同义词 | 3,6-dichloro-2-benzothiophenecarboxylic acid;3,6-dichlorobenzothiophene-2-carboxylic acid;BT2;JR-6478, 3,6-Dichlorobenzo[b]thiophene-2-carboxylic acid, 97%;Benzo[b]thiophene-2-carboxylic acid, 3,6-dichloro-;3,6-Dichloro-1-benzothiophene-2-carboxylicaci;3,6-DICHLORO-BENZO[B]THIOPHENE-2-CARBOXY;Bcl-2 Family,BT2,Inhibitor,BT-2,inhibit,BT 2 |
| CAS号 | 34576-94-8 |
| 分子式 | C9H4Cl2O2S |
| 分子量 | 247.1 |
| EINECS号 | |
| 相关类别 | |
| Mol文件 | 34576-94-8.mol |
| 结构式 |  |
3,6-二氯-2-苯并噻吩羧酸 性质
| 沸点 | 426.4±40.0 °C(Predicted) |
|---|---|
| 密度 | 1.653±0.06 g/cm3(Predicted) |
| 储存条件 | 2-8°C |
| 溶解度 | 可溶于DMSO（高达至少20mg/ml） |
| 形态 | 固体 |
| 酸度系数(pKa) | 2.09±0.30(Predicted) |
| 颜色 | 米白色 |
| 稳定性 | 可在-20°C的DMSO中的溶液下储存长达3个月。 |
| InChI | 1S/C9H4Cl2O2S/c10-4-1-2-5-6(3-4)14-8(7(5)11)9(12)13/h1-3H,(H,12,13) |
| InChIKey | AAHPIJMQJAZYTM-UHFFFAOYSA-N |
| SMILES | [s]1c2c(c(c1C(=O)O)Cl)ccc(c2)Cl |
3,6-二氯-2-苯并噻吩羧酸用作研究用化合物。BT2 是 BCKDC 激酶 (BDK) 抑制剂，IC50 值为 3.19 μM。BT2 与 BDK 的结合会触发支链 α-酮酸脱氢酶复合物 (BCKDC) 的 N 末端结构域的螺旋运动，从而导致 BDK 与 BCKDC 分离。BT2 (compound 4) 也是一种有效的选择性的 Mcl-1 抑制剂，Ki 值为 59 μM。
|
BDK 3.19 μM (IC 50 ) |
Mcl-1 59 μM (Ki) |
BT2 (20 mg/kg/day; intraperitoneal injection; daily; for 7 days; C57BL/6J male mice) treatment robustly enhances BCKDC activity in the heart (12.3-fold) compared with the vehicle-treated animals. Less activation is obtained in muscle and kidney at 3.6- and 3.8-fold, respectively. The -fold activation of BCKDC activity in the above tissues correlates with decreased phosphorylation in heart, muscle, and kidney after the long term BT2 treatment. BT2 treatment reduces the protein levels of BDK in kidneys and heart.
| Animal Model: | C57BL/6J male mice (8-10-week-old) |
| Dosage: | 20 mg/kg/day |
| Administration: | Intraperitoneal injection; daily; for 1 week |
| Result: | BCKDC activity was robustly (12.3-fold) enhanced in the heart compared with the vehicle-treated animals. Less activation was obtained in muscle and kidney at 3.6- and 3.8-fold, respectively. The protein levels of BDK in kidneys and heart were reduced to averages of 39 and 24%, respectively. |
安全信息
| WGK Germany | WGK 3 |
|---|---|
| 存储类别 | 11 - 可燃固体 |
| 更新日期 | 产品编号 | 产品名称 | CAS号 | 包装 | 价格 |
|---|---|---|---|---|---|
| 2025/12/22 | HY-114855 | 3,6-二氯-2-苯并噻吩羧酸 BT2 | 34576-94-8 | 1mg | 200元 |
| 2025/12/22 | HY-114855 | 3,6-二氯-2-苯并噻吩羧酸 BT2 | 34576-94-8 | 5mg | 500元 |