N-[(2S)-4-methyl-1-[5-(1-methylethylthio)-1,3,4-oxadiazol-2-yl]-1-oxo-2-pentyl]-4-(t-butoxycarbonylamino)-4-methylpentanamide | 477345-85-0

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: N-[(2S)-4-methyl-1-[5-(1-methylethylthio)-1,3,4-oxadiazol-2-yl]-1-oxo-2-pentyl]-4-(t-butoxycarbonylamino)-4-methylpentanamide
• 英文别名: tert-butyl N-[2-methyl-5-[[(2S)-4-methyl-1-oxo-1-(5-propan-2-ylsulfanyl-1,3,4-oxadiazol-2-yl)pentan-2-yl]amino]-5-oxopentan-2-yl]carbamate
• CAS: 477345-85-0
• 化学式: C₂₂H₃₈N₄O₅S
• 分子量: 470.634
• InChiKey: SYWGLXVTYYHHDJ-HNNXBMFYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  32
• 可旋转键数：
  13
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.77
• 拓扑面积：
  149
• 氢给体数：
  2
• 氢受体数：
  8

文献信息

• Oxadiazole derivative compounds and drugs containing these compounds as the active ingredient
  申请人：——

  公开号：US20040204368A1

  公开（公告）日：2004-10-14

  An oxadiazole derivative of formula (I) and a non-toxic salt thereof, 1 wherein all symbols have the same meaning as described in the specification. 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(s) 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.

  公式（I）的一种噁二唑衍生物及其非毒性盐， 其中所有符号的含义与规范中描述的相同。公式（I）的化合物具有对半胱氨酸蛋白酶的抑制活性，因此它可用作预防和/或治疗炎症性疾病、由细胞凋亡引起的疾病、由免疫反应紊乱引起的疾病、自身免疫疾病、由构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、内分泌亢进等方面的药剂。