2-(1-benzyloxymethyl-5-imidazolyl)propionic acid hydrochloride | 148909-90-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-(1-benzyloxymethyl-5-imidazolyl)propionic acid hydrochloride
• 英文别名: 2-[3-(Phenylmethoxymethyl)imidazol-4-yl]propanoic acid;hydrochloride
• CAS: 148909-90-4
• 化学式: C₁₄H₁₆N₂O₃*ClH
• 分子量: 296.754
• InChiKey: ZCIXALIYBXWVSS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.67
• 重原子数：
  20
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  64.4
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  ammonium hydroxide 、 water-acetonitrile 、 2-(1-benzyloxymethyl-5-imidazolyl)propionic acid hydrochloride 、 1-((7,7-Dimethyl-2-endo-amino-bicyclo(2.2.1)heptan-1-yl)methane-sulfonyl)-4-(2-methylphenyl)-piperazine 、 CHCl3:MeOH 生成 1-((7,7-Dimethyl-2-endo-(2-(4-imidazolyl)propanoyl)-amino-bicyclo-(2.2.1)heptan-1-yl)methanesulfonyl)-4-(2-methylphenyl)piperazine
  参考文献：
  名称：

  摘要：

  DOI：

文献信息

• Piperazinyl(sulfon)amide derivatives of camphor as oxytocin antagonists
  申请人：MERCK & CO. INC.

  公开号：EP0532097A1

  公开（公告）日：1993-03-17

  Compounds of the formula: Compounds according to the structural formula, wherein R¹ is (1) hydrogen, (2) alkoxycarbonyl or (3) unsubstituted or substituted alkyl wherein said substituent is hydroxyl, alkoxyl, carboxyl, carboxyalkyl., alkylsulfonyl or alkoxycarbonyl; and R² is (1) hydrogen, (2) alkoxyl, (3) aralkoxyl, (4) alkoxycarbonyl, (5) alkoxycarbonylamino, (6) unsubstituted or substituted cycloalkyl, wherein said substituent is carboxyl, (7) unsubstituted or substituted phenyl wherein said substituent is one or more of carboxyl, carboxyalkyl or SO₃H, (8) unsubstituted or substituted amino, wherein said substituent is unsubstituted or substituted alkyl where said substituent is one or more of carboxyl, alkylsulfonyl or unsubstituted 5-membered heterocyclic rings having 1 or 2 heteroatoms, where said heteroatom is N, (9) unsubstituted or substituted rings of the formulae where said substituents are one or more of alkyl, carboxyl, carboxyalkyl, carboxyaralkyl, aralkylcarbonyl, aralkoxycarbonyl, alkoxycarbonyl, alkoxycarbonylalkyl, alkoxycarbonylaminoalkylcarbonyl, oxo or unsubstituted or substituted amino wherein said substituent is one or more of alkyl, carboxylalkyl, alkoxycarbonyl or alkoxycarbonylalkyl or (10) unsubstituted or substituted alkyl, wherein said substituent is one or more of hydroxyl, carboxyl, carboxyalkylphenyl, alkylsulfonyl, aminocarbonyl, alkylaminocarbonyl, aralkyl, aralkoxycarbonyl, halogen, alkoxycarbonyl, alkoxycarbonylalkyl, Het or unsubstituted or substituted amino, wherein said substituent is one or more of alkyl, alkylcarbonyl, alkylsulfonyl, carboxyalkyl, Cyc, alkoxycarbonyl, alkoxycarbonylalkyl, aralkoxycarbonyl, aminocarbonylalkyl, alkylaminocarbonyl, phenalkyl or unsubstituted or substituted alkylcarbonyl, where said substituent is a 5-membered heterocyclic ring having 1 or 2 heteroatoms and where said hetero atom is N, where Het is defined as for the above heterocyclic rings and where Cyc is defined as substituted or unsubstituted cycloalkyl wherein said substituent is selected from the group consisting of alkoxycarbonyl, carboxyl, hydroxyl, oxo or spiro-dioxolinyl . Such compounds are oxytocin antagonists useful in the treatment of preterm labor, dysmenorrhea and for the stoppage of labor preparatory to cesarean delivery.

  式中的化合物： 根据结构式的化合物，其中 R¹ 是 (1) 氢 (2) 烷氧基羰基或 (3) 未取代或取代的烷基，其中所述取代基为羟基、烷氧基、羧基、羧基烷基、烷基磺酰基或烷氧羰基；以及 R² 是 (1) 氢 (2) 烷氧基 (3) 芳烷氧基 (4) 烷氧羰基 (5) 烷氧羰基氨基 (6) 未取代或取代的环烷基，其中所述取代基为羧基、 (7) 未取代或取代的苯基，其中所述取代基为羧基、羧基烷基或 SO₃H 中的一个或多个、 (8) 未取代或取代的氨基，其中所述取代基为羧基、烷基磺酰基或具有 1 个或 2 个杂原子的未取代 5 元杂环中的一个或多个，其中所述杂原子为 N、 (9) 式中的未取代或取代环 其中所述取代基为烷基、羧基、羧基烷基、羧基烷基、烷基羰基、烷氧基羰基、烷氧基羰基、烷氧基羰基烷基、烷氧基羰基氨基烷基羰基、氧代或未取代或取代的氨基中的一个或多个，其中所述取代基为烷基、羧基烷基、烷氧基羰基或烷氧基羰基烷基中的一个或多个，或 (10) 未取代或取代的烷基，其中所述取代基为羟基、羧基、羧基烷基苯基、烷基磺酰基、氨基羰基、烷基氨基羰基、芳基、芳氧基羰基、卤素、烷氧基羰基中的一个或多个、烷氧基羰基、Het 或未取代或取代的氨基，其中所述取代基为烷基、烷基羰基、烷基磺酰基、羧基烷基、环烷基、烷氧基羰基、烷氧基羰基烷基、烷氧基羰基芳基、氨基羰基烷基中的一个或多个、烷基氨基羰基、苯基烷基或未取代或取代的烷基羰基，其中所述取代基为具有 1 个或 2 个杂原子的 5 元杂环，且所述杂原子为 N，Het 的定义与上述杂环相同，Cyc 的定义为取代或未取代的环烷基，其中所述取代基选自由烷氧基羰基、羧基、羟基、氧代或螺二氧环烷基组成的组。此类化合物是催产素拮抗剂，可用于治疗早产、痛经和剖腹产前的停产。
• Substituted amine derivatives of piperazinylcamphorsulfonyl oxytocin antagonists
  申请人：MERCK & CO. INC.

  公开号：EP0533240A2

  公开（公告）日：1993-03-24

  Compounds of the formula: The compounds of formula I are oxytocin antagonists useful in the treatment of preterm labor, dysmenorrhea and for the stoppage of labor preparatory to cesarean delivery. Also disclosed are pharmaceutical compositions containing these compounds, methods of their use and methods of their preparation.

  式中的化合物： 式 I 的化合物是催产素拮抗剂，可用于治疗早产、痛经和剖宫产前的停产。还公开了含有这些化合物的药物组合物、其使用方法和制备方法。
• Substituted alkyl derivatives of piperazinylcamphorsulfonyl oxytocin antagonists
  申请人：MERCK & CO. INC.

  公开号：EP0533241A2

  公开（公告）日：1993-03-24

  Compounds of the formula: where R is substituted or unsubstituted alkyl; are oxytocin antagonists useful in the treatment of preterm labor, dysmenorrhea and for the stoppage of labor preparatory to cesarean delivery. Also disclosed are pharmaceutical compositions containing these compounds, methods of their use and methods of their preparation.

  式中 R 为取代或未取代烷基的化合物 其中 R 是取代或未取代的烷基；是催产素拮抗剂，可用于治疗早产、痛经和剖宫产前的停产。还公开了含有这些化合物的药物组合物、其使用方法和制备方法。
• Substituted derivatives of piperazinylcamphorsulfonyl oxytocin antagonists
  申请人：MERCK & CO. INC.

  公开号：EP0533242A2

  公开（公告）日：1993-03-24

  Compounds of the formula: wherein R is oxime, hydroxy, halogen, cyclic epoxide, alkylcarbonyloxy, alkoxycarbonylalkoxy, trihaloalkylsulfonyloxo, or unsubstituted or substituted oxo, where said substituent is unsubstituted or substituted saturated 6- membered heterocyclic rings having 1 or 2 heteroatoms which are N, and said substituent is alkyl. The compounds of formula I are oxytocin antagonists useful in the treatment of preterm labor, dysmenorrhea and for the stoppage of labor preparatory to cesarean delivery. Also disclosed are pharmaceutical compositions containing these compounds, methods of their use and methods of their preparation.

  式中的化合物： 其中 R 是肟基、羟基、卤素、环氧化物、烷基羰基氧基、烷氧基羰基烷氧基、三卤代烷基磺酰氧基或未取代或取代的氧代，所述取代基是未取代或取代的饱和 6 位杂环，具有 1 个或 2 个杂原子，其中 1 个或 2 个杂原子是 N，所述取代基是烷基。 式 I 的化合物是催产素拮抗剂，可用于治疗早产、痛经和剖宫产前的停产。还公开了含有这些化合物的药物组合物、其使用方法和制备方法。
• SUBSTITUTED PIPERAZINYLCAMPHOR DERIVATIVES AS OXYTOCIN ANTAGONISTS
  申请人：MERCK & CO. INC.

  公开号：EP0708765A1

  公开（公告）日：1996-05-01