N-[2-[N-[3-[2-(N-tert-butoxycarbonylaminomethyl)-5-pyridyl]propyl]-N-methylamino]ethyl]-(1-chloro-2-naphthalene)sulfonamide | 496946-08-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: N-[2-[N-[3-[2-(N-tert-butoxycarbonylaminomethyl)-5-pyridyl]propyl]-N-methylamino]ethyl]-(1-chloro-2-naphthalene)sulfonamide
• 英文别名: tert-butyl N-[[5-[3-[2-[(1-chloronaphthalen-2-yl)sulfonylamino]ethyl-methylamino]propyl]pyridin-2-yl]methyl]carbamate
• CAS: 496946-08-8
• 化学式: C₂₇H₃₅ClN₄O₄S
• 分子量: 547.118
• InChiKey: BWRKCVHKNICXHA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  37
• 可旋转键数：
  13
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  109
• 氢给体数：
  2
• 氢受体数：
  7

文献信息

• Novel amine derivative having human beta-tryptase inhibitory activity and drugs containing the same
  申请人：Kato Yutaka

  公开号：US20050043304A1

  公开（公告）日：2005-02-24

  It is intended to provide a novel low-molecular weight amine derivative, that is absorbed well, has low toxicity, and has an excellent human β-tryptase inhibitory activity with extremely high selectivity, a pharmaceutically acceptable salt thereof, and a medicine containing the same as an active ingredient. The medicine of the present invention is efficacious as a prophylactic/therapeutic agent for diseases in the crisis and evolution of which are considered to be attributed to β-tryptase, for example, respiratory diseases, allergic diseases, inflammatory bowel diseases, hyperprolliferative skin diseases, vascular edema and rheumatoid arthritis.