877963-94-5
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
英文名称
LOC-14
CAS
877963-94-5
分子式
C16H19N3O2S
分子量
317.41
MOL 文件
877963-94-5.mol
更新日期
2024/06/22 15:23:47
877963-94-5 结构式
基本信息
中文别名
化合物LOC142-((4-(环丙烷羰基)哌嗪-1-基)甲基)苯并[D]异噻唑-3(2H)-酮
2-[[[4-(环丙基羰基)-1-哌嗪基]甲基] -1,2-苯并异噻唑-3(2H) - 酮
英文别名
OC14LOC-14
LOC14, ≥98%
LOC 14
LOC14
LOC 14,inhibit,LOC14,Inhibitor,LOC-14
2-[[4-(Cyclopropylcarbonyl)-1-piperazinyl]methyl]-1,2-benzisothiazol-3(2H)-one
2-((4-(cyclopropanecarbonyl)piperazin-1-yl)methyl)benzo[d]isothiazol-3(2H)-one
1,2-Benzisothiazol-3(2H)-one, 2-[[4-(cyclopropylcarbonyl)-1-piperazinyl]methyl]-
2-[(4-cyclopropanecarbonylpiperazin-1-yl)methyl]-2,3-dihydro-1,2-benzothiazol-3-one
物理化学性质
沸点528.5±60.0 °C(Predicted)
密度1.390±0.06 g/cm3(Predicted)
储存条件Sealed in dry,2-8°C
溶解度DMF: 10mg/mL; DMF:PBS (pH 7.2) (1:1): 0.5mg/mL; DMSO: 3mg/mL; Ethanol: 3mg/mL; Ethanol:PBS (pH 7.2) (1:6): 0.14mg/mL
酸度系数(pKa)6.16±0.10(Predicted)
形态结晶固体
颜色White to off-white
常见问题列表
生物活性
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。靶点
Kd: 62 nM (PDI)
体外研究
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. |
体内研究
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. |