4-[4-(2-hydroxyphenyl)piperidin-1-yl]-2,2-diphenyl-1-(1-pyrrolidinyl)-1-butanone | 412302-36-4

• 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: 4-[4-(2-hydroxyphenyl)piperidin-1-yl]-2,2-diphenyl-1-(1-pyrrolidinyl)-1-butanone
• 英文别名: 4-[4-(2-Hydroxyphenyl)piperidin-1-yl]-2,2-diphenyl-1-pyrrolidin-1-ylbutan-1-one
• CAS: 412302-36-4
• 化学式: C₃₁H₃₆N₂O₂
• 分子量: 468.639
• InChiKey: VYXBHNFMUDRYSN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  35
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  43.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-[4-(2-hydroxyphenyl)piperidin-1-yl]-2,2-diphenyl-1-(1-pyrrolidinyl)-1-butanone 生成 2-[2-[1-[3,3-diphenyl-4-oxo-4-(1-pyrrolidinyl)butyl]piperidin-4-yl]phenoxy]ethyl acetate
  参考文献：
  名称：

  EP1325912

  摘要：

  公开号：
• 作为产物：
  描述：

  4-[4-(2-hydroxyphenyl)-1,2,3,6-tetrahydropyridin-1-yl]-2,2-diphenyl-1-(1-pyrrolidinyl)-1-butanone 在 palladium-carbon 作用下， 以 乙醇 为溶剂， 以60.3%的产率得到4-[4-(2-hydroxyphenyl)piperidin-1-yl]-2,2-diphenyl-1-(1-pyrrolidinyl)-1-butanone
  参考文献：
  名称：

  EP1325912

  摘要：

  公开号：

文献信息

• Benzimidazole inhibitors of poly(ADP-ribosyl) polymerase
  申请人：Agouron Pharmaceuticals, Inc.

  公开号：US20040034078A1

  公开（公告）日：2004-02-19

  Compounds of formula I are poly(ADP-ribosyl)transferase (PARP) inhibitors, and are useful as therapeutics in treatment of cancers and the amelioration of the effects of stroke, head trauma, and neurodegenerative disease. As cancer therapeutics, the compounds of the invention may be used in combination with cytotoxic agents and/or radiation. 1

  式I的化合物是聚(ADP-核糖基)转移酶(PARP)抑制剂，可用作治疗癌症和改善中风、头部创伤和神经退行性疾病的治疗剂。作为癌症治疗剂，本发明的化合物可以与细胞毒性药物和/或放射线结合使用。
• 2,2-Diphenylbutanamide derivatives and medicines containing the same
  申请人：——

  公开号：US20040034104A1

  公开（公告）日：2004-02-19

  2,2-Diphenylbutanamide derivatives represented by the following formula (1): 1 [wherein A represents —(CH 2 ) n — (n is 1 or 2) or a methine (CH) group; when A is —CH 2 —, B represents a methine group or a nitrogen atom, with A and B forming a single bond; when A is —(CH 2 ) 2 —, B represents a nitrogen atom, with A and B forming a single bond; when A is a methine group, B represents a quaternary carbon atom, with A and B forming a double bond; each of R 1 and R 2 , which are identical to or different from each other, represents a hydrogen atom, a lower alkyl group, or a cycloalkyl group, or R 1 and R 2 may form a heterocyclic ring together with the adjacent nitrogen atom; and Ar represents an optionally substituted phenyl group, bicyclic aromatic ring, monocyclic heterocyclic ring, bicyclic heterocyclic ring, or fluorene group]; or salts of the derivatives. The derivatives or salts thereof exhibit excellent &mgr;-opioid agonist activity and analgesic activity against neuropathic pain, and are useful as medicines such as peripheral analgesic drugs and neuropathic pain relieving drugs.

  以下式子（1）所表示的2,2-二苯基丁酰胺衍生物： 1[其中，A代表—（CH2）n—（n为1或2）或甲基（CH）基团；当A为— —时，B代表甲基基团或氮原子，A和B形成单键；当A为—（ ）2—时，B代表氮原子，A和B形成单键；当A为甲基基团时，B代表四价碳原子，A和B形成双键；R1和R2各自表示氢原子、低碳基或环烷基，或者R1和R2与相邻氮原子一起形成杂环；Ar表示可选取代的苯基、双环芳香环、单环杂环环、双环杂环环或芴基；以及其衍生物的盐。] 这些衍生物或其盐表现出优异的μ-阿片受体激动剂活性和对神经病理性疼痛的镇痛活性，可用作外周镇痛药和神经病理性疼痛缓解药等药物。
• 2,2-DIPHENYLBUTANAMIDE DERIVATIVES AND MEDICINES CONTAINING THE SAME
  申请人：SSP Co., Ltd.

  公开号：EP1325912A1

  公开（公告）日：2003-07-09

  2,2-Diphenylbutanamide derivatives represented by the following formula (1): [wherein A represents -(CH2)n- (n is 1 or 2) or a methine (CH) group; when A is -CH2-, B represents a methine group or a nitrogen atom, with A and B forming a single bond; when A is -(CH2)2-, B represents a nitrogen atom, with A and B forming a single bond; when A is a methine group, B represents a quaternary carbon atom, with A and B forming a double bond; each of R1 and R2, which are identical to or different from each other, represents a hydrogen atom, a lower alkyl group, or a cycloalkyl group, or R1 and R2 may form a heterocyclic ring together with the adjacent nitrogen atom; and Ar represents an optionally substituted phenyl group, bicyclic aromatic ring, monocyclic heterocyclic ring, bicyclic heterocyclic ring, or fluorene group]; or salts of the derivatives. The derivatives or salts thereof exhibit excellent µ-opioid agonist activity and analgesic activity against neuropathic pain, and are useful as medicines such as peripheral analgesic drugs and neuropathic pain relieving drugs.

  下式(1)代表的 2,2-二苯基丁酰胺衍生物： [其中 A 代表-(CH2)n-(n 为 1 或 2)或甲烷(CH)基；当 A 为- -时，B 代表甲烷基或氮原子，A 和 B 形成单键；当 A 为-( )2-时，B 代表氮原子，A 和 B 形成单键；当 A 为甲烷基时，B 代表季碳原子，A 和 B 形成双键；R1和R2（它们彼此相同或不同）各自代表氢原子、低级烷基或环烷基，或 R1和R2可与相邻的氮原子一起形成杂环；Ar代表任选取代的苯基、双环芳环、单环杂环、双环杂环或芴基】；或衍生物的盐。 这些衍生物或其盐具有优异的μ-类阿片激动剂活性和针对神经病理性疼痛的镇痛活性，可用作外周镇痛药物和神经病理性疼痛缓解药物。