N-[3(S)-1-(5-phenyltetrazol-2-yl)-2-oxo-5-methyl-3-hexyl] cyclohexanecarboxamide | 352003-28-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: N-[3(S)-1-(5-phenyltetrazol-2-yl)-2-oxo-5-methyl-3-hexyl] cyclohexanecarboxamide
• 英文别名: N-[(3S)-5-methyl-2-oxo-1-(5-phenyltetrazol-2-yl)hexan-3-yl]cyclohexanecarboxamide
• CAS: 352003-28-2
• 化学式: C₂₁H₂₉N₅O₂
• 分子量: 383.494
• InChiKey: XHPIWIAHFWRFBF-SFHVURJKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  28
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  89.8
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  1-chloroethyl formate 、 环己甲酸 在 N-甲基吗啉 、 sodium chloride 、 碳酸氢钠 、 柠檬酸 作用下， 以 ice-water 、 水 、 乙酸乙酯 、 N,N-二甲基甲酰胺 为溶剂， 生成 N-[3(S)-1-(5-phenyltetrazol-2-yl)-2-oxo-5-methyl-3-hexyl] cyclohexanecarboxamide
  参考文献：
  名称：

  Nitrogen-containing 5-membered cyclic compounds and drugs containing these compounds as the active ingredient

  摘要：

  式（I）的N-含有五元环化合物，其中所有符号如规范中所述，并且其非毒性盐。式（I）的化合物对半胱氨酸蛋白酶具有抑制活性，因此它可用作预防和/或治疗炎症性疾病、凋亡诱导的疾病、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、血液凝血系统紊乱、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、内分泌衰弱等方面具有用途。

  公开号：

  US20030153508A1

文献信息

• N-containing five-membered ring compounds and pharmaceutical agents comprising the same as active ingredient
  申请人：Ohmoto Kazuyuki

  公开号：US20050164954A1

  公开（公告）日：2005-07-28

  An N-containing five-membered ring compound of formula (I) wherein all symbols are the same as described in the specification, and a non-toxic salt thereof. 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 systems 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)表示的含氮五元环化合物，其中所有符号与说明书中描述的相同，并且其非毒性盐。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、细胞凋亡引起的疾病、免疫反应紊乱引起的疾病、自身免疫性疾病、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、内分泌疲劳等药剂。
• NITROGEN-CONTAINING 5-MEMBERED CYCLIC COMPOUNDS AND DRUGS CONTAINING THESE COMPOUNDS AS THE ACTIVE INGREDIENT
  申请人：ONO PHARMACEUTICAL CO., LTD.

  公开号：EP1254901A1

  公开（公告）日：2002-11-06

  An N-containing five-membered ring compound of formula (I) wherein all symbols are the same as described in the specification, and a non-toxic salt thereof. 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 systems 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) 的含 N 五元环化合物 其中所有符号与说明书中所述相同，及其无毒盐。 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。
• US6900207B2
  申请人：——

  公开号：US6900207B2

  公开（公告）日：2005-05-31
• US7390804B2
  申请人：——

  公开号：US7390804B2

  公开（公告）日：2008-06-24
• Nitrogen-containing 5-membered cyclic compounds and drugs containing these compounds as the active ingredient
  申请人：——

  公开号：US20030153508A1

  公开（公告）日：2003-08-14

  An N-containing five-membered ring compound of formula (I) 1 wherein all symbols are the same as described in the specification, and a non-toxic salt thereof. 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 systems 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N-含有五元环化合物，其中所有符号如规范中所述，并且其非毒性盐。式（I）的化合物对半胱氨酸蛋白酶具有抑制活性，因此它可用作预防和/或治疗炎症性疾病、凋亡诱导的疾病、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、血液凝血系统紊乱、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、内分泌衰弱等方面具有用途。