Hexahydro-1-(phenylmethyl)-1h-azepine-4-carboxylic acid | 346735-07-7

• 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: Hexahydro-1-(phenylmethyl)-1h-azepine-4-carboxylic acid
• 英文别名: 1-benzylazepane-4-carboxylic acid
• CAS: 346735-07-7
• 化学式: C₁₄H₁₉NO₂
• 分子量: 233.31
• InChiKey: GPWBUSYJURGRIM-UHFFFAOYSA-N

物化性质

• 沸点：
  374.0±35.0 °C(Predicted)
• 密度：
  1.133±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  40.5
• 氢给体数：
  1
• 氢受体数：
  3

文献信息

• Substituted homopiperidinyl benzimidazole analogues as fundic relaxants
  申请人：——

  公开号：US20030139393A1

  公开（公告）日：2003-07-24

  The present invention relates to compounds of formula (I) 1 their prodrugs, N-oxides, addition salts, quaternary amines and stereochemically isomeric forms, wherein the bivalent radical —circle over (A)}— represents a saturated or an unsaturated homopiperidinyl having one double bond, and wherein said bivalent radical —circle over (A)}— is substituted with R 2 being hydrogen, hydroxy, C 1-4 alkyl, or C 1-4 alkyloxy; -a 1 =a 2 -a 3 =a 4 - represents an optionally substituted bivalent radical; R 1 is hydrogen, C 1-6 alkyl, aryl 1 , C 1-6 alkyl substituted with aryl 1 , C 1-4 alkyloxycarbonyl, aryl 1 carbonyl, aryl 1 C 1-6 alkylarbonyl C 1-4 alkylcarbonyl, trifluoromethyl, trifluoromethylcarbonyl, C 1-6 alkylsulfonyl, aryl 1 sulfonyl, methanesulfonyl, benzenesulfonyl, trifluoromethanesulfonyl, dimethylsulfamoyl; X represents O, S or NR 3 , wherein R 3 is hydrogen, C 1-6 alkyl, methanesulfonyl, benzenesulfonyl, trifluoromethanesulfonyl, dimethylsulfamoyl, C 1-4 alkyl substituted with aryl 2 and optionally with hydroxy, C 1-4 alkylcarbonylC 1-4 alkyl substituted with aryl 2 ; aryl 1 is optionally substituted phenyl, optionally substituted pyridinyl, naphthyl, quinolinyl, or 1,3-benzodioxolyl; aryl 2 is optionally substituted phenyl; fundic relaxating activity. Processes for preparing said products, formulations comprising said products and their use as a medicine are disclosed, in particular for treating dyspeptic symptoms, irritable bowel syndrome and other conditions related to a hampered or impaired relaxation of the fundus.

  本发明涉及以下式（I）的化合物及其前药、N-氧化物、加成盐、季铵盐和立体化学异构体，其中二价基团—circle over (A)}—代表具有一个双键的饱和或不饱和的同环戊二烯基，并且所述二价基团—circle over (A)}—被取代为R 2 ，R 2 为氢、羟基、C 1-4 烷基或C 1-4 烷氧基；-a 1 =a 2 -a 3 =a 4 -代表一个可选择取代的二价基团；R 1 为氢、C 1-6 烷基、芳基 1 、芳基 1 取代的C 1-6 烷基、C 1-4 烷氧羰基、芳基 1 羰基、芳基 1 C 1-6 烷基羰基C 1-4 烷基羰基、三氟甲基、三氟甲基羰基、C 1-6 烷基磺酰基、芳基 1 磺酰基、甲磺酰基、苯磺酰基、三氟甲磺酰基、二甲基磺酰胺基；X代表O、S或NR 3 ，其中R 3 为氢、C 1-6 烷基、甲磺酰基、苯磺酰基、三氟甲磺酰基、二甲基磺酰胺基、C 1-4 烷基取代的芳基 2 并可选择取代羟基、C 1-4 烷基羰基C 1-4 烷基取代的芳基 2 ；芳基 1 为可选择取代的苯基、可选择取代的吡啶基、萘基、喹啉基或1,3-苯并二氧杂环戊基；芳基 2 为可选择取代的苯基；胃底松弛活性。公开了制备所述产品的方法、包含所述产品的配方以及它们作为药物的用途，特别用于治疗消化不良症状、肠易激综合征和其他与胃底松弛受阻或受损有关的疾病。
• SUBSTITUTED HOMOPIPERIDINYL BENZIMIDAZOLE ANALOGUES AS FUNDIC RELAXANTS
  申请人：Janssen Pharmaceutica NV

  公开号：EP1250337B1

  公开（公告）日：2008-12-03
• US7304052B2
  申请人：——

  公开号：US7304052B2

  公开（公告）日：2007-12-04