2-(4-morpholinyl)ethyl 3-{5-[4-(cyclopentyloxy)-2-hydroxybenzoyl]-2-[(3-hydroxy-1,2-benzisoxazol-6-yl)methoxy]phenyl} propanoate | 530142-13-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-(4-morpholinyl)ethyl 3-{5-[4-(cyclopentyloxy)-2-hydroxybenzoyl]-2-[(3-hydroxy-1,2-benzisoxazol-6-yl)methoxy]phenyl} propanoate
• 英文别名: 2-(4-morpholinyl)ethyl 3-(5-(4-(cyclopentyloxy)-2-hydroxybenzoyl)-2-((3-hydroxy-1,2-benzisoxazol-6-yl)methoxy)phenyl)propionate；2-Morpholin-4-ylethyl 3-[5-(4-cyclopentyloxy-2-hydroxybenzoyl)-2-[(3-oxo-1,2-benzoxazol-6-yl)methoxy]phenyl]propanoate
• CAS: 530142-13-3
• 化学式: C₃₅H₃₈N₂O₉
• 分子量: 630.695
• InChiKey: ATMSHQULGVOZGL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  46
• 可旋转键数：
  14
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  133
• 氢给体数：
  2
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  2-(4-morpholinyl)ethyl 3-(5-[4-(cyclopentyloxy)-2-hydroxybenzoyl]-2-{[3-(methoxymethoxy)-1,2-benzisoxazol-6-yl]methoxy}phenyl) propanoate 在 甲烷磺酸 作用下， 以 二氯甲烷 、 异丙醇 为溶剂， 反应 0.5h， 生成 2-(4-morpholinyl)ethyl 3-{5-[4-(cyclopentyloxy)-2-hydroxybenzoyl]-2-[(3-hydroxy-1,2-benzisoxazol-6-yl)methoxy]phenyl} propanoate
  参考文献：
  名称：

  NOVEL BENSOPHENONE DERIVATIVES OR SALTS THEREOF

  摘要：

  公开号：

  EP1445249B1

文献信息

• METHOD OF UTILIZATION OF COMBINATION OF BENZOPHENONE DERIVATIVE OR SALT THEREOF AND IMMUNOSUPPRESSING AGENT, AND PHARMACEUTICAL COMPOSITION COMPRISING THESE COMPONENTS
  申请人：Toyama Chemical Co., Ltd.

  公开号：EP2266557A1

  公开（公告）日：2010-12-29

  Disclosed are use of a benzophenone derivative represented by general formula (I) or a salt thereof and one or more immunosuppressing agents in combination, and a pharmaceutical composition containing the benzophenone derivative or a salt thereof and one or more immunosuppressing agents. The use and the composition are useful for treatment or prevention of autoimmune diseases and the like. (In the formula, R1 represents an optionally substituted heterocyclic group, a substituted phenyl group or the like; Z represents an alkylene group or the like; R2 represents a carboxyl group, which may be protected by an alkyl group, or the like; R3 represents an optionally protected hydroxyl group or the like; R4 represents an optionally substituted cycloalkyloxy group or the like; and R5 represents a hydrogen atom or the like.)

  本发明公开了通式(I)代表的二苯甲酮衍生物或其盐和一种或多种免疫抑制剂的组合用途，以及含有二苯甲酮衍生物或其盐和一种或多种免疫抑制剂的药物组合物。该用途和组合物可用于治疗或预防自身免疫性疾病等。(式中，R1代表任选取代的杂环基团、取代的苯基或类似物；Z代表亚烷基或类似物；R2代表羧基，可由烷基或类似物保护；R3代表任选保护的羟基或类似物；R4代表任选取代的环烷氧基或类似物；R5代表氢原子或类似物)。
• USE OF BENZOPHENONE DERIVATIVE OR SALT THEREOF AND TNF INHIBITOR IN COMBINATION AND PHARMACEUTICAL COMPOSITION CONTAINING THE DERIVATIVE OR SALT THEREOF AND THE INHIBITOR
  申请人：Toyama Chemical Co., Ltd.

  公开号：EP2258361A1

  公开（公告）日：2010-12-08

  Disclosed are use of a benzophenone derivative represented by general formula (I) or a salt thereof and one or more TNFα inhibitors in combination, and a pharmaceutical composition containing the benzophenone derivative or a salt thereof and one or more TNFα inhibitors. The use and the composition are useful for treatment or prevention of autoimmune diseases and the like. (In the formula, R1 represents an optionally substituted heterocyclic group, a substituted phenyl group or the like; Z represents an alkylene group or the like; R2 represents a carboxyl group, which may be protected by an alkyl group, or the like; R3 represents an optionally protected hydroxyl group or the like; R4 represents an optionally substituted cycloalkyloxy group or the like; and R5 represents a hydrogen atom or the like.)

  本发明公开了通式(I)代表的二苯甲酮衍生物或其盐和一种或多种 TNFα 抑制剂的组合用途，以及含有二苯甲酮衍生物或其盐和一种或多种 TNFα 抑制剂的药物组合物。该用途和组合物可用于治疗或预防自身免疫性疾病等。(式中，R1 代表任选取代的杂环基团、取代的苯基或类似基团；Z 代表亚烷基或类似基团；R2 代表可由烷基保护的羧基或类似基团；R3 代表任选保护的羟基或类似基团；R4 代表任选取代的环烷氧基或类似基团；R5 代表氢原子或类似基团)。
• USE OF BENZOPHENONE DERIVATIVE OR SALT THEREOF AND TNFalpha INHIBITOR IN COMBINATION AND PHARMACEUTICAL COMPOSITION CONTAINING THE DERIVATIVE OR SALT THEREOF AND THE INHIBITOR
  申请人：Toyama Chemical Co., Ltd.

  公开号：EP2258361B1

  公开（公告）日：2014-09-17
• COMBINATION OF BENZOPHENONE DERIVATIVE OR SALT THEREOF AND IMMUNOSUPPRESSING AGENT, AND PHARMACEUTICAL COMPOSITION COMPRISING THESE COMPONENTS
  申请人：Toyama Chemical Co., Ltd.

  公开号：EP2266557B1

  公开（公告）日：2013-08-14
• DRUG CONTAINING BENZOPHENONE DERIVATIVE OR ITS SALT
  申请人：Aikawa Yukihiko

  公开号：US20100240891A1

  公开（公告）日：2010-09-23

  Pharmaceutical agents characterized by containing benzophenone derivatives represented by the general formula: wherein the each substituent is as defined in the specification, or salts thereof have suppressive effect on RANKL production, suppressive effect on OPG reduction and inhibitory effects on differentiation/activation of osteoclasts, and are extremely useful for treating, for example therapy and/or prevention, of various diseases in which differentiation/activation of osteoclast are involved, such as osteoporosis.