34576-94-8
中文名称
3,6-二氯-2-苯并噻吩羧酸
英文名称
3,6-DICHLORO-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID
CAS
34576-94-8
分子式
C9H4Cl2O2S
分子量
247.1
MOL 文件
34576-94-8.mol
34576-94-8 结构式
基本信息
中文别名
3,6-二氯苯并噻吩-2-甲酸3,6-二氯苯并噻吩-2-羧酸
3,6-二氯-2-苯并噻吩羧酸
3,6-二氯-1-苯并噻吩-2-羧酸
3,6-二氯苯并[B]噻吩-2-羧酸
英文别名
BT23,6-dichlorobenzothiophene-2-carboxylic acid
3,6-dichloro-2-benzothiophenecarboxylic acid
3,6-Dichloro-1-benzothiophene-2-carboxylicaci
Benzo[b]thiophene-2-carboxylic acid, 3,6-dichloro-
JR-6478, 3,6-Dichlorobenzo[b]thiophene-2-carboxylic acid, 97%
所属类别
有机原料：杂环化合物物理化学性质
沸点426.4±40.0 °C(Predicted)
密度1.653±0.06 g/cm3(Predicted)
储存条件Sealed in dry,2-8°C
溶解度可溶于DMSO（高达至少20mg/ml）
酸度系数(pKa)2.09±0.30(Predicted)
形态固体
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。
常见问题列表
用途
3,6-二氯-2-苯并噻吩羧酸用作研究用化合物。生物活性
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。靶点
|
BDK 3.19 μM (IC 50 ) |
Mcl-1 59 μM (Ki) |
体内研究
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. |