1-cyclohexyl-N-[(2S)-4-methyl-1-(5-(1-methylethylthio)-1,2,4-oxadiazol-3-yl)-1-oxo-2-pentyl]carboxamide | 345216-63-9

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 1-cyclohexyl-N-[(2S)-4-methyl-1-(5-(1-methylethylthio)-1,2,4-oxadiazol-3-yl)-1-oxo-2-pentyl]carboxamide
• 英文别名: N-[(2S)-4-methyl-1-oxo-1-(5-propan-2-ylsulfanyl-1,2,4-oxadiazol-3-yl)pentan-2-yl]cyclohexanecarboxamide
• CAS: 345216-63-9
• 化学式: C₁₈H₂₉N₃O₃S
• 分子量: 367.513
• InChiKey: RHSHRKJTZJWZPO-AWEZNQCLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  25
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  110
• 氢给体数：
  1
• 氢受体数：
  6

文献信息

• Oxadiazole derivatives and drugs containing these derivatives as the active ingredient
  申请人：Ohmoto Kazuyuki

  公开号：US20070004642A1

  公开（公告）日：2007-01-04

  An oxadiazole derivative of formula (I) and a non-toxic salt thereof, wherein R is hydrogen, alkyl, CycA, etc.; AA 1 is a single bond, amino acid residue, etc.; AA 2 is a single bond, amino acid residue, etc.; R 7 and R 8 are hydrogen, alkyl, etc.; R 9 is hydrogen, alkyl, etc.; R 10 is hydrogen, alkyl, etc.). The compound of formula (I) has an inhibitory activity against cysteine protease and therefore it is useful as an agent for the prophylaxis and/or treatment of inflammatory diseases, diseases induced by apoptosis, diseases induced by disorders of immune responses, autoimmune diseases, diseases induced by decomposition of proteins which compose organism, shock, circulatory system disorders, blood coagulation system disorders, malignant tumors, acquired immune deficiency syndrome (AIDS) and AIDS-related complex (ARC), parasitic diseases, nerve degeneration diseases, pulmonary disorders, bone resorption diseases, endocrinesthenia, etc.

  式(I)的一种噁唑二氮杂环衍生物及其无毒盐，其中R为氢、烷基、CycA等；AA1为单键、氨基酸残基等；AA2为单键、氨基酸残基等；R7和R8为氢、烷基等；R9为氢、烷基等；R10为氢、烷基等。式(I)化合物具有对半胱氨酸蛋白酶的抑制活性，因此可用作预防和/或治疗炎症性疾病、由凋亡引起的疾病、由免疫反应紊乱引起的疾病、自身免疫疾病、由组成生物体的蛋白质分解引起的疾病、休克、循环系统紊乱、血液凝固系统紊乱、恶性肿瘤、获得性免疫缺陷综合症（AIDS）和AIDS相关综合症（ARC）、寄生虫病、神经退行性疾病、肺部疾病、骨吸收疾病、内分泌亢进等药物。