(2S)-N-[(2S)-4-methyl-1-oxo-1-(3-ethoxymethyl-2-oxo-1,3,4-oxadiazolin-5-yl)-2-pentyl]-2-benzyloxycarbonylamino-4-methylpentanamide | 345214-92-8

• 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: (2S)-N-[(2S)-4-methyl-1-oxo-1-(3-ethoxymethyl-2-oxo-1,3,4-oxadiazolin-5-yl)-2-pentyl]-2-benzyloxycarbonylamino-4-methylpentanamide
• 英文别名: benzyl N-[(2S)-1-[[(2S)-1-[4-(ethoxymethyl)-5-oxo-1,3,4-oxadiazol-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
• CAS: 345214-92-8
• 化学式: C₂₅H₃₆N₄O₇
• 分子量: 504.583
• InChiKey: MNEIKQDXMUPKRN-PMACEKPBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  36
• 可旋转键数：
  15
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  136
• 氢给体数：
  2
• 氢受体数：
  8

文献信息

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

  公开号：US20030166573A1

  公开（公告）日：2003-09-04

  An oxadiazole derivative of formula (I) and a non-toxic salt thereof, 1 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.

  公式（I）的一种噁二唑衍生物及其非毒性盐，其中R为氢、烷基、环烷A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。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、细胞凋亡诱导的疾病、免疫反应紊乱诱导的疾病、自身免疫疾病、由组成生物体的蛋白质分解诱导的疾病、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、内分泌虚弱等方面的药物。
• OXADIAZOLE DERIVATIVES AND DRUGS CONTAINING THESE DERIVATIVES AS THE ACTIVE INGREDIENT
  申请人：ONO PHARMACEUTICAL CO., LTD.

  公开号：EP1234820A1

  公开（公告）日：2002-08-28

  An oxadiazole derivative of formula (I) and a non-toxic salt thereof, wherein R is hydrogen, alkyl, CycA, etc.; AA1 is a single bond, amino acid residue, etc.; AA2 is a single bond, amino acid residue, etc.; R7 and R8 are hydrogen, alkyl, etc.; R9 is hydrogen, alkyl, etc.; R10 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.

  一种式(I)的噁二唑衍生物及其无毒盐、 其中 R 是氢、烷基、CycA 等；AA1 是单键、氨基酸残基等；AA2 是单键、氨基酸残基等；R7 和 R8 是氢、烷基等；R9 是氢、烷基等；R10 是氢、烷基等）。 式（I）化合物对半胱氨酸蛋白酶具有抑制活性，因此可用作预防和/或治疗炎症性疾病、由细胞凋亡诱发的疾病、由免疫反应紊乱诱发的疾病、自身免疫性疾病、组成机体的蛋白质分解引起的疾病、休克、循环系统疾病、血液凝固系统疾病、恶性肿瘤、获得性免疫缺陷综合征（AIDS）和 AIDS 相关综合征（ARC）、寄生虫病、神经变性疾病、肺部疾病、骨吸收疾病、内分泌失调等。
• US7144901B2
  申请人：——

  公开号：US7144901B2

  公开（公告）日：2006-12-05