benzyl N-[(7S,10S,13S)-7-(1-hydroxyprop-2-ynyl)-10-(2-methylpropyl)-9,12-dioxo-2-oxa-8,11-diazabicyclo[13.2.2]nonadeca-1(17),15,18-trien-13-yl]carbamate

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: benzyl N-[(7S,10S,13S)-7-(1-hydroxyprop-2-ynyl)-10-(2-methylpropyl)-9,12-dioxo-2-oxa-8,11-diazabicyclo[13.2.2]nonadeca-1(17),15,18-trien-13-yl]carbamate
• 化学式: C₃₁H₃₉N₃O₆
• 分子量: 549.7
• InChiKey: WXXYJFFJXLOHAH-AKYHMYKESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  40
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  126
• 氢给体数：
  4
• 氢受体数：
  6

文献信息

• Macrocyclic Cysteine Protease Inhibitors and Compositions Thereof
  申请人：Lincoln University

  公开号：US20140194362A1

  公开（公告）日：2014-07-10

  The present invention provides a novel class of macrocyclic compounds, which are useful as cysteine protease inhibitors. Also provided are novel intermediates and methods of preparing the compounds. The invention also provides pharmaceutical compositions comprising the compounds. The compounds and compositions are useful in methods of treating or preventing one or more diseases associated with cysteine protease activity, particularly those associated with calpain activity.

  本发明提供了一种新型的大环化合物类，可用作半胱氨酸蛋白酶抑制剂。还提供了新型中间体和制备该化合物的方法。本发明还提供了包含该化合物的医药组合物。该化合物和组合物可用于治疗或预防与半胱氨酸蛋白酶活性有关的一种或多种疾病，特别是与钙蛋白酶活性有关的疾病。