N-[2-[N-tert-butoxycarbonyl-N-[3-[4-(N-tert-butoxycarbonylaminomethyl)phenyl]propyl]amino]ethyl]-5-indanesulfonamide

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚满类
• 英文名称: N-[2-[N-tert-butoxycarbonyl-N-[3-[4-(N-tert-butoxycarbonylaminomethyl)phenyl]propyl]amino]ethyl]-5-indanesulfonamide
• 英文别名: tert-butyl N-[2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)ethyl]-N-[3-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]propyl]carbamate
• 化学式: C₃₁H₄₅N₃O₆S
• 分子量: 587.781
• InChiKey: BBZLOHMSUGRDOF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  41
• 可旋转键数：
  15
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  122
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  N-[2-[N-tert-butoxycarbonyl-N-[3-[4-(N-tert-butoxycarbonylaminomethyl)phenyl]propyl]amino]ethyl]-5-indanesulfonamide 在 盐酸 作用下， 生成 N-(2-(3-(4-(aminomethyl)phenyl)propylamino)ethyl)-2,3-dihydro-1H-indene-5-sulfonamide
  参考文献：
  名称：

  Synthesis and evaluation of 4-substituted benzylamine derivatives as β-tryptase inhibitors

  摘要：

  Since P-tryptase is considered a critical mediator of asthma, potent tryptase inhibitors may be useful as new agents for the treatment of asthma. We investigated 4-substituted benzylamine derivatives and obtained M58539 (15h) as a potent inhibitor of beta-tryptase (IC50 = 5.0 nM) with high selectivity against other serine proteases, low molecular weight, clog P value less than 5, lack of amidino and guanidino groups, and independence of Zn2+ ion. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.02.064
• 作为产物：
  描述：

  2-[N-tert-butoxycarbonyl-N-[3-[4-(N-tert-butoxycarbonylaminomethyl)phenyl]propyl]amino]ethylamine 、 茚满-5-磺酰氯 在 三乙胺 作用下， 生成 N-[2-[N-tert-butoxycarbonyl-N-[3-[4-(N-tert-butoxycarbonylaminomethyl)phenyl]propyl]amino]ethyl]-5-indanesulfonamide
  参考文献：
  名称：

  Synthesis and evaluation of 4-substituted benzylamine derivatives as β-tryptase inhibitors

  摘要：

  Since P-tryptase is considered a critical mediator of asthma, potent tryptase inhibitors may be useful as new agents for the treatment of asthma. We investigated 4-substituted benzylamine derivatives and obtained M58539 (15h) as a potent inhibitor of beta-tryptase (IC50 = 5.0 nM) with high selectivity against other serine proteases, low molecular weight, clog P value less than 5, lack of amidino and guanidino groups, and independence of Zn2+ ion. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.02.064

文献信息

• NOVEL AMINE DERIVATIVE HAVING HUMAN BETA-TRYPTASE INHIBITORY ACTIVITY AND DRUGS CONTAINING THE SAME
  申请人：MOCHIDA PHARMACEUTICAL CO., LTD.

  公开号：EP1445250A1

  公开（公告）日：2004-08-11

  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.

  本发明旨在提供一种新型低分子量胺衍生物，该衍生物被很好地吸收，毒性低，并且具有极高选择性的优异人类β-色氨酸蛋白酶抑制活性，其药学上可接受的盐，以及含有该衍生物作为活性成分的药物。本发明的药物可作为一种预防/治疗剂，用于被认为是由β-色氨酸蛋白酶引起的危机和发展的疾病，例如呼吸道疾病、过敏性疾病、炎症性肠病、皮肤过度增生疾病、血管水肿和类风湿性关节炎。
• 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.
• Synthesis and evaluation of 4-substituted benzylamine derivatives as β-tryptase inhibitors
  作者：Yutaka Miyazaki、Yutaka Kato、Tadashi Manabe、Hiroyasu Shimada、Masashi Mizuno、Takayuki Egusa、Munetaka Ohkouchi、Ikuya Shiromizu、Tomokazu Matsusue、Ichiro Yamamoto

  DOI：10.1016/j.bmcl.2006.02.064

  日期：2006.6

  Since P-tryptase is considered a critical mediator of asthma, potent tryptase inhibitors may be useful as new agents for the treatment of asthma. We investigated 4-substituted benzylamine derivatives and obtained M58539 (15h) as a potent inhibitor of beta-tryptase (IC50 = 5.0 nM) with high selectivity against other serine proteases, low molecular weight, clog P value less than 5, lack of amidino and guanidino groups, and independence of Zn2+ ion. (c) 2006 Elsevier Ltd. All rights reserved.