4-bromo-3-[4-(1H-indol-3-yl)-piperidin-1-ylmethyl]-benzoic Acid Methyl Ester | 423173-97-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 4-bromo-3-[4-(1H-indol-3-yl)-piperidin-1-ylmethyl]-benzoic Acid Methyl Ester
• 英文别名: methyl 4-bromo-3-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]benzoate
• CAS: 423173-97-1
• 化学式: C₂₂H₂₃BrN₂O₂
• 分子量: 427.341
• InChiKey: FUWRZLAWLQTKQR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  27
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  45.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-溴甲基-1,3-二氧戊烷 、 4-bromo-3-[4-(1H-indol-3-yl)-piperidin-1-ylmethyl]-benzoic Acid Methyl Ester 在 expected acid 作用下， 生成 4-bromo-3-[4-(1-[1,3]dioxolan-2-ylmethyl-1H-indol-3-yl)-piperidin-1-ylmethyl]-benzoic acid
  参考文献：
  名称：

  Indolylpiperidine derivatives as antihistaminic aand antiallergic agents

  摘要：

  本发明涉及公式（I）的吲哚基哌啶衍生物，其中：A1代表烷基，烷氧基，烷硫基，酰基烷基或羟基烷基；A2代表烷基，烷氧基，烷硫基，酰基烷基或烷氧基烷基；W1代表苯基，呋喃基或吡啶基，该基未取代或取代一个或多个卤素原子，烷氧基和/或烷基；W2代表3-10个成员的单环或双环基团，含有1-3个杂原子，该基团未取代或取代一个或多个卤素原子，烷基，烷氧基和/或羰基基团；R1代表氢或卤素原子或烷基，烷氧基或甲基氨基基团；R2代表羧基；以及其药学上可接受的盐；以及用于它们的制备过程，含有它们的制药组合物，以及它们作为抗组胺和抗过敏剂的医药用途。

  公开号：

  US20040116471A1
• 作为产物：
  描述：

  3-(4’-哌啶基)-1H-吲哚 、 4-溴-3-溴甲苯甲酸甲酯 以0.196 g (46% of yield) of 4-bromo-3-[4-(1H-indol-3-yl)-piperidin-1-ylmethyl]-benzoic acid methyl ester were obtained的产率得到4-bromo-3-[4-(1H-indol-3-yl)-piperidin-1-ylmethyl]-benzoic Acid Methyl Ester
  参考文献：
  名称：

  Indolylpiperidine derivatives as antihistaminic and antiallergic agents

  摘要：

  本发明涉及式（I）的吲哚基哌啶衍生物，其中：A1代表烷基，烷氧基，烷硫基，酰基烷基或羟基烷基；A2代表烷基，烷氧基，烷硫基，酰基烷基或烷氧基烷基；W1代表苯基，呋喃基或吡啶基，其未取代或被一个或多个卤素原子，烷氧基和/或烷基取代；W2代表一个含1-3个杂原子的3-10环的单环或双环基团，其未取代或被一个或多个卤素原子，烷基，烷氧基和/或氧代基取代；R1代表氢或卤素原子或烷基，烷氧基或甲基氨基基团；R2代表羧基；以及其药学上可接受的盐；本发明还涉及制备它们的过程，含有它们的制药组合物以及它们作为抗组胺和抗过敏剂的医药用途。

  公开号：

  US07189741B2

文献信息

• Indolylpiperidine derivatives as antihistaminic aand antiallergic agents
  申请人：——

  公开号：US20040116471A1

  公开（公告）日：2004-06-17

  The invention relates to indolyl piperidinyl derivatives of formula (I) wherein: A 1 represents an alkylene, alkyleneoxy, alkylenethio, alkanoylene or hydroxyalkylene group; A 2 represents an alkylene, alkyleneoxy, alkylenethio, alkanoylene or an alkyleneoxyalkylene group; W 1 represents a phenylene, furanylene or pyridinylene group which is unsubstituted or substituted by one or more halogen atoms, alkoxy groups and/or alkyl groups; W 2 represents a 3-10 membered monocyclic or bicyclic group containing from 1 to 3 heteroatoms said group being unsubstituted or substituted by one or more halogen atoms, alkyl groups, alkoxy groups and/or oxo groups; R 1 represents a hydrogen or halogen atom or an alkyl, alkoxy or methylamino group; and R 2 represents a carboxyl group; and pharmaceutically acceptable salts thereof; to processes for their preparation; to pharmaceutical compositions containing them; and to their medical use as antihistaminic and antiallergic agents.

  该发明涉及式(I)的吲哚基哌啶衍生物，其中：A1代表烷基、烷氧基、硫代烷基、烷酰基或羟基烷基基团；A2代表烷基、烷氧基、硫代烷基、烷酰基或烷氧基烷基基团；W1代表苯基、呋喃基或吡啶基，该基团未取代或被一个或多个卤素原子、烷氧基和/或烷基取代；W2代表含有1至3个杂原子的3-10元成员的单环或双环基团，该基团未取代或被一个或多个卤素原子、烷基、烷氧基和/或氧代基取代；R1代表氢原子或卤素原子或烷基、烷氧基或甲氧基氨基基团；R2代表羧基；及其药学上可接受的盐；其制备方法；含有它们的药物组合物；以及它们作为抗组胺和抗过敏药物的医药用途。
• INDOLYLPIPERIDINE DERIVATIVES AS ANTIHISTAMINIC AND ANTIALLERGIC AGENTS
  申请人：Almirall Prodesfarma, S.A.

  公开号：EP1330453B1

  公开（公告）日：2006-03-29
• US7189741B2
  申请人：——

  公开号：US7189741B2

  公开（公告）日：2007-03-13
• [EN] INDOLYLPIPERIDINE DERIVATIVES AS ANTIHISTAMINIC AND ANTIALLERGIC AGENTS<br/>[FR] DERIVES D'INDOLYLPIPERIDINE UTILISES COMME AGENTS ANTIHISTAMINIQUES ET ANTIALLERGIQUES
  申请人：ALMIRALL PRODESFARMA SA

  公开号：WO2002036589A1

  公开（公告）日：2002-05-10

  The invention relates to indolyl piperidinyl derivatives of formula (I) wherein: A1 represents an alkylene, alkyleneoxy, alkylenethio, alkanoylene or hydroxyalkylene group; A2 represents an alkylene, alkyleneoxy, alkylenethio, alkanoylene or an alkyleneoxyalkylene group; W1 represents a phenylene, furanylene or pyridinylene group which is unsubstituted or substituted by one or more halogen atoms, alkoxy groups and/or alkyl groups; W2 represents a 3-10 membered monocyclic or bicyclic group containing from 1 to 3 heteroatoms said group being unsubstituted or substituted by one or more halogen atoms, alkyl groups, alkoxy groups and/or oxo groups; R1 represents a hydrogen or halogen atom or an alkyl, alkoxy or methylamino group; and R2 represents a carboxyl group; and pharmaceutically acceptable salts thereof; to processes for their preparation; to pharmaceutical compositions containing them; and to their medical use as antihistaminic and antiallergic agents.
• Indolylpiperidine derivatives as antihistaminic and antiallergic agents
  申请人：Almirall Prodesfarma S.A.

  公开号：US07189741B2

  公开（公告）日：2007-03-13

  The invention relates to indolyl piperidinyl derivatives of formula (I) wherein: A1 represents an alkylene, alkyleneoxy, alkylenethio, alkanoylene or hydroxyalkylene group; A2 represents an alkylene, alkyleneoxy, alkylenethio, alkanoylene or an alkyleneoxyalkylene group; W1 represents a phenylene, furanylene or pyridinylene group which is unsubstituted or substituted by one or more halogen atoms, alkoxy groups and/or alkyl groups; W2 represents a 3–10 membered monocyclic or bicyclic group containing from 1 to 3 heteroatoms said group being unsubstituted or substituted by one or more halogen atoms, alkyl groups, alkoxy groups and/or oxo groups; R1 represents a hydrogen or halogen atom or an alkyl, alkoxy or methylamino group; and R2 represents a carboxyl group; and pharmaceutically acceptable salts thereof; to processes for their preparation; to pharmaceutical compositions containing them; and to their medical use as antihistaminic and antiallergic agents.

  本发明涉及式（I）的吲哚基哌啶衍生物，其中：A1代表烷基，烷氧基，烷硫基，酰基烷基或羟基烷基；A2代表烷基，烷氧基，烷硫基，酰基烷基或烷氧基烷基；W1代表苯基，呋喃基或吡啶基，其未取代或被一个或多个卤素原子，烷氧基和/或烷基取代；W2代表一个含1-3个杂原子的3-10环的单环或双环基团，其未取代或被一个或多个卤素原子，烷基，烷氧基和/或氧代基取代；R1代表氢或卤素原子或烷基，烷氧基或甲基氨基基团；R2代表羧基；以及其药学上可接受的盐；本发明还涉及制备它们的过程，含有它们的制药组合物以及它们作为抗组胺和抗过敏剂的医药用途。