N-cyclopentylethanesulfonamide

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磺酸及其衍生物
• 英文名称: N-cyclopentylethanesulfonamide
• 化学式: C₇H₁₅NO₂S
• mdl: MFCD02606246
• 分子量: 177.27
• InChiKey: NFTAFUWNXHOXTA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  54.6
• 氢给体数：
  1
• 氢受体数：
  3

文献信息

• TRIAZOLE COMPOUNDS, AND PREPARATION METHOD THEREOF AND USE
  申请人：Wuhan LL Science And Technology Development Co., Ltd.

  公开号：EP3912974A1

  公开（公告）日：2021-11-24

  Disclosed are triazole compounds, and a preparation method thereof and use. The triazole compounds in the present invention have good LPAR1 antagonistic activity and selectivity, low toxicity, and good metabolic stability, and can be used for preventing or treating the LPAR1-related disease or disorder. The IC50 value of some compounds in the present invention can be below 300 nM, even 50 nM. All the compounds in the present invention have good safety, and the range of CC50 thereof can be greater than 200 µM. The compounds in the present invention have good metabolic stability in human, fancy rats, and house mice. The preparation method for the compounds in the present invention is simple, requires mild operation conditions, has high product yield, and is suitable for industrial production.

  本发明公开了三唑类化合物及其制备方法和用途。本发明中的三唑类化合物具有良好的 LPAR1 拮抗活性和选择性，毒性低，代谢稳定性好，可用于预防或治疗 LPAR1 相关疾病或紊乱。本发明中某些化合物的 IC50 值可以低于 300 nM，甚至 50 nM。本发明中的所有化合物都具有良好的安全性，其 CC50 的范围可以大于 200 µM。本发明中的化合物在人、花鼠和家鼠体内具有良好的代谢稳定性。本发明化合物的制备方法简单，操作条件温和，产品收率高，适合工业化生产。