2-((4-(环丙烷羰基)哌嗪-1-基)甲基)苯并[D]异噻唑-3(2H)-酮
| 中文名称 | 2-((4-(环丙烷羰基)哌嗪-1-基)甲基)苯并[D]异噻唑-3(2H)-酮 |
|---|---|
| 中文同义词 | 2-[[[4-(环丙基羰基)-1-哌嗪基]甲基] -1,2-苯并异噻唑-3(2H) - 酮;化合物LOC14;2-((4-(环丙烷羰基)哌嗪-1-基)甲基)苯并[D]异噻唑-3(2H)-酮;LOC14,蛋白质二硫键异构酶(PDI)调节剂 |
| 英文名称 | LOC-14 |
| 英文同义词 | 2-[(4-cyclopropanecarbonylpiperazin-1-yl)methyl]-2,3-dihydro-1,2-benzothiazol-3-one;1,2-Benzisothiazol-3(2H)-one, 2-[[4-(cyclopropylcarbonyl)-1-piperazinyl]methyl]-;2-((4-(cyclopropanecarbonyl)piperazin-1-yl)methyl)benzo[d]isothiazol-3(2H)-one;LOC14, ≥98%;LOC 14;LOC14;2-[[4-(Cyclopropylcarbonyl)-1-piperazinyl]methyl]-1,2-benzisothiazol-3(2H)-one;LOC-14;OC14 |
| CAS号 | 877963-94-5 |
| 分子式 | C16H19N3O2S |
| 分子量 | 317.41 |
| EINECS号 | |
| 相关类别 | |
| Mol文件 | 877963-94-5.mol |
| 结构式 | ![2-((4-(环丙烷羰基)哌嗪-1-基)甲基)苯并[D]异噻唑-3(2H)-酮 结构式](CAS/20200611/GIF/877963-94-5.gif) |
2-((4-(环丙烷羰基)哌嗪-1-基)甲基)苯并[D]异噻唑-3(2H)-酮 性质
| 沸点 | 528.5±60.0 °C(Predicted) |
|---|---|
| 密度 | 1.390±0.06 g/cm3(Predicted) |
| 储存条件 | 2-8°C |
| 溶解度 | DMF：10mg/mL； DMF:PBS (pH 7.2) (1:1)：0.5mg/mL；二甲基亚砜：3mg/mL；乙醇：3mg/mL；乙醇:PBS (pH 7.2) (1:6): 0.14mg/mL |
| 形态 | 结晶固体 |
| 酸度系数(pKa) | 6.16±0.10(Predicted) |
LOC14 是一种有效的 protein disulfide isomerase (PDI) 的抑制剂，EC50值为500 nM和Kd值为62 nM。
Kd: 62 nM (PDI)
LOC14 (0.01-100 μM; 24 hours) exhibits the capacity to inhibit recombinant (r)PDIA3 at an IC50 of approximately 5 μM.
Cell Viability Assay
| Cell Line: | MTEC cells |
| Concentration: | 0.01 μM; 0.1 μM; 0.5 μM; 1 μM; 5 μM; 10 μM; 100 μM |
| Incubation Time: | 24 hours |
| Result: | Inhibited recombinant (r)PDIA3 activity. |
LOC14 (orally administered by gavage; 20 mg/kg; once daily; 12-28 weeks) significantly improves motor function, attenuated brain atrophy and extended survival in the N171–82Q HD mice.
| Animal Model: | Male N171–82Q HD mice |
| Dosage: | 20 mg/kg |
| Administration: | Orally administered by gavage; 20 mg/kg; once daily; 12-28 weeks |
| Result: | Improved motor function in HD mice. |
安全信息
| 更新日期 | 产品编号 | 产品名称 | CAS号 | 包装 | 价格 |
|---|---|---|---|---|---|
| 2024/04/30 | HY-100432 | LOC14 | 1 mg | 360元 | |
| 2024/04/30 | HY-100432 | 2-((4-(环丙烷羰基)哌嗪-1-基)甲基)苯并[D]异噻唑-3(2H)-酮 LOC14 | 877963-94-5 | 5mg | 1000元 |