{7-chloro-1-[2-methyl-4-(2-methyl-benzoylamino)-benzoyl]-2,3,4,5-tetrahydro-1H-benzo[b]azepin-5-yl} (ethoxycarbonylmethyl-methyl-carbamoyloxy)acetate | 1094837-59-8

• 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: {7-chloro-1-[2-methyl-4-(2-methyl-benzoylamino)-benzoyl]-2,3,4,5-tetrahydro-1H-benzo[b]azepin-5-yl} (ethoxycarbonylmethyl-methyl-carbamoyloxy)acetate
• 英文别名: {7-Chloro-1-[2-methyl-4-(2-methyl-benzoylamino)-benzoyl]-2,3,4,5-tetrahydro-1h-benzo[b]azepin-5-yl} (ethoxycarbonylmethyl-methyl-carbamoyloxy)acetate；ethyl 2-[[2-[[7-chloro-1-[2-methyl-4-[(2-methylbenzoyl)amino]benzoyl]-2,3,4,5-tetrahydro-1-benzazepin-5-yl]oxy]-2-oxoethoxy]carbonyl-methylamino]acetate
• CAS: 1094837-59-8
• 化学式: C₃₄H₃₆ClN₃O₈
• 分子量: 650.128
• InChiKey: MWNKWBSRBZAUJD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  46
• 可旋转键数：
  12
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  132
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  {7-chloro-1-[2-methyl-4-(2-methyl-benzoylamino)-benzoyl]-2,3,4,5-tetrahydro-1H-benzo[b]azepin-5-yl} chloroacetate 、 肌氨酸乙酯盐酸盐 、 potassium carbonate 以 N,N-二甲基甲酰胺 为溶剂， 反应 1.0h， 生成 {7-chloro-1-[2-methyl-4-(2-methyl-benzoylamino)-benzoyl]-2,3,4,5-tetrahydro-1H-benzo[b]azepin-5-yl} (ethoxycarbonylmethyl-methyl-carbamoyloxy)acetate
  参考文献：
  名称：

  WO2009/1968

  摘要：

  公开号：

文献信息

• Benzazepine derivatives useful as vasopressin antagonists
  申请人：Otsuka Pharmaceutical Co., Ltd.

  公开号：US09073868B2

  公开（公告）日：2015-07-07

  The present invention provides a benzazepine compound that can maintain for a long period of time the blood level of tolvaptan enabling to provide the desired pharmaceutical effects. The benzazepine compound of the present invention is represented by general formula (1) wherein R1 represents a —CO—(CH2)n—COR2 group (wherein n is an integer of 1 to 4, and R2 is (2-1) a hydroxy group; (2-2) a lower alkoxy group optionally substituted with a hydroxy group, a lower alkanoyl group, a lower alkanoyloxy group, a lower alkoxycarbonyloxy group, a cycloalkyloxycarbonyloxy group, or 5 -methyl-2-oxo-1,3-dioxol-4-yl; or (2-3) an amino group optionally substituted with a hydroxy-lower alkyl group), or the like.

  本发明提供了一种苯并氮杂环化合物，可以长时间维持托瓦普坦的血液水平，从而产生所需的药物效果。本发明的苯并氮杂环化合物由通式（1）表示，其中R1表示—CO—（CH2）n—COR2基团（其中n为1至4的整数，R2为（2-1）羟基；（2-2）低级烷氧基，可选地取代羟基，低级烷酰基，低级烷酰氧基，低级烷氧羰基氧基，环烷氧羰基氧基，或5-甲基-2-氧代-1,3-二氧杂环戊烷-4-基）等。
• WO2009/1968
  申请人：——

  公开号：——

  公开（公告）日：——