1-[5-(N-t-butoxycarbonyl-N-propylaminoethylthio)-1,3,4-oxadiazol-2-yl]-2-(tetrahydropyran-4-yl)-2-cyclohexylcarbonylaminoethanol | 620615-02-3

• 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-[5-(N-t-butoxycarbonyl-N-propylaminoethylthio)-1,3,4-oxadiazol-2-yl]-2-(tetrahydropyran-4-yl)-2-cyclohexylcarbonylaminoethanol
• 英文别名: tert-butyl N-[2-[[5-[2-(cyclohexanecarbonylamino)-1-hydroxy-2-(oxan-4-yl)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]-N-propylcarbamate
• CAS: 620615-02-3
• 化学式: C₂₆H₄₄N₄O₆S
• 分子量: 540.725
• InChiKey: AYFYRECACJVSSK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  37
• 可旋转键数：
  13
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  152
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  1-[5-(N-t-butoxycarbonyl-N-propylaminoethylthio)-1,3,4-oxadiazol-2-yl]-2-(tetrahydropyran-4-yl)-2-cyclohexylcarbonylaminoethanol 生成 1-[5-(N-t-butoxycarbonyl-N-propyl amino ethylthio)-1,3,4-oxadiazol-2-yl]-2-(tetrahydropyran-4-yl)-2-cyclohexylcarbonylamino-1-oxoethane
  参考文献：
  名称：

  DIKETOHYDRAZINE DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THE COMPOUNDS AS THE ACTIVE INGREDIENT

  摘要：

  公开号：

  EP1498411B1
• 作为产物：
  描述：

  N-(t-butoxycarbonyl)-N-(2-chloroethyl)-N-propylamine 、 5-(1-hydroxy-2-cyclohexylcarbonylamino-2-tetrahydropyran-4-ylethyl)-2-thioxo-1,3,4-oxadiazoline 在 potassium carbonate 、 sodium iodide 作用下， 以 DMF (N,N-dimethyl-formamide) 为溶剂， 生成 1-[5-(N-t-butoxycarbonyl-N-propylaminoethylthio)-1,3,4-oxadiazol-2-yl]-2-(tetrahydropyran-4-yl)-2-cyclohexylcarbonylaminoethanol
  参考文献：
  名称：

  DIKETOHYDRAZINE DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THE COMPOUNDS AS THE ACTIVE INGREDIENT

  摘要：

  公开号：

  EP1498411B1

文献信息

• Diketohydrazine derivative compounds and drugs contaiing the compounds as the active ingredient
  申请人：Hatayama Akira

  公开号：US20060111303A1

  公开（公告）日：2006-05-25

  The present invention relates to a diketohydrazine derivative of formula (I) and a pharmaceutically acceptable salt thereof (the symbols in the formula have the same meaning as described in the specification). The compound of formula (I) has an inhibitory activity against cysteine protease, and it is useful for the treatment of inflammatory diseases, immune diseases, ischemic diseases, respiratory diseases, circulatory diseases, blood diseases, neuronal diseases, hepatic or biliary diseases, osseous or articular diseases, metabolic diseases, etc. And the compound has inhibitory activity against elastase and it is also useful for the treatment of COPD (chronic obstacle pulmonary diseases).

  本发明涉及一种公式（I）的二酮肼衍生物及其药学上可接受的盐（公式中的符号与说明书中描述的含义相同）。公式（I）的化合物具有对半胱氨酸蛋白酶的抑制活性，可用于治疗炎症性疾病、免疫性疾病、缺血性疾病、呼吸系统疾病、循环系统疾病、血液疾病、神经系统疾病、肝胆系统疾病、骨骼或关节疾病、代谢性疾病等。该化合物具有对弹性蛋白酶的抑制活性，也可用于慢性阻塞性肺疾病（COPD）的治疗。
• DIKETOHYDRAZINE DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THE COMPOUNDS AS THE ACTIVE INGREDIENT
  申请人：Hatayama Akira

  公开号：US20100087442A1

  公开（公告）日：2010-04-08

  The present invention relates to a diketohydrazine derivative of formula (I) and a pharmaceutically acceptable salt thereof (the symbols in the formula have the same meaning as described in the specification). The compound of formula (I) has an inhibitory activity against cysteine protease, and it is useful for the treatment of inflammatory diseases, immune diseases, ischemic diseases, respiratory diseases, circulatory diseases, blood diseases, neuronal diseases, hepatic or biliary diseases, osseous or articular diseases, metabolic diseases, etc. And the compound has inhibitory activity against elastase and it is also useful for the treatment of COPD (chronic obstacle pulmonary diseases).

  本发明涉及式(I)的二酮肼衍生物及其药学上可接受的盐（式中符号与说明书中描述的含义相同）。式(I)化合物具有对半胱氨酸蛋白酶的抑制活性，可用于治疗炎症性疾病、免疫性疾病、缺血性疾病、呼吸系统疾病、循环系统疾病、血液疾病、神经系统疾病、肝胆系统疾病、骨骼或关节疾病、代谢性疾病等。该化合物具有对弹性蛋白酶的抑制活性，也可用于治疗慢性阻塞性肺部疾病（COPD）。
• US7655804B2
  申请人：——

  公开号：US7655804B2

  公开（公告）日：2010-02-02
• US8138182B2
  申请人：——

  公开号：US8138182B2

  公开（公告）日：2012-03-20
• DIKETOHYDRAZINE DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THE COMPOUNDS AS THE ACTIVE INGREDIENT
  申请人：ONO PHARMACEUTICAL CO., LTD.

  公开号：EP1498411B1

  公开（公告）日：2013-01-16