{7-chloro-1-[2-methyl-4-(2-methyl-benzoylamino)-benzoyl]-2,3,4,5-tetrahydro-1H-benzo[b]azepin-5-yl} hexadecanoate | 1094837-35-0

• 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} hexadecanoate
• 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}hexadecanoate；[7-chloro-1-[2-methyl-4-[(2-methylbenzoyl)amino]benzoyl]-2,3,4,5-tetrahydro-1-benzazepin-5-yl] hexadecanoate
• CAS: 1094837-35-0
• 化学式: C₄₂H₅₅ClN₂O₄
• 分子量: 687.363
• InChiKey: USGAAYYRQKQBLT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.7
• 重原子数：
  49
• 可旋转键数：
  19
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  75.7
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  托伐普坦 、 棕榈酰氯 在 吡啶 作用下， 以 二氯甲烷 为溶剂， 以74%的产率得到{7-chloro-1-[2-methyl-4-(2-methyl-benzoylamino)-benzoyl]-2,3,4,5-tetrahydro-1H-benzo[b]azepin-5-yl} hexadecanoate
  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：Kondo Kazumi

  公开号：US20110071084A1

  公开（公告）日：2011-03-24

  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 R 1 represents a —CO—(CH 2 ) n —COR 2 group (wherein n is an integer of 1 to 4, and R 2 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-dioxo-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氮卓环化合物，可以长时间维持托瑞普坦的血液水平，从而实现所需的药效。本发明的苯氮卓环化合物由通式（1）表示，其中R1代表—CO—（CH2）n—COR2基团（其中n是1至4的整数，R2是（2-1）羟基基团；（2-2）选择性地用羟基基团、低级烷氧基团、低级酰基基团、低级酰氧基团、低级烷氧羰氧基团、环烷氧羰氧基团或5-甲基-2-氧代-1,3-二氧代-4-基基团取代的低级烷氧基团；或（2-3）选择性地用羟基-低级烷基基团取代的氨基基团），等等。
• Benzazepine Derivatives Useful as Vasopressin Antagonists
  申请人：OTSUKA PHARMACEUTICAL CO., LTD.

  公开号：US20140024640A1

  公开（公告）日：2014-01-23

  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 R 1 represents a —CO—(CH 2 ) n —COR 2 group (wherein n is an integer of 1 to 4, and R 2 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，可以长时间维持托瑞普坦的血药浓度，从而实现所需的药效。本发明的苯并氮杂环化合物由通式（1）表示，其中R1表示一个—CO—(CH2)n—COR2基团（其中n是1至4的整数，R2是(2-1)一个羟基；(2-2)一个较低的烷氧基，可选地取代一个羟基，一个较低的酰基，一个较低的酰氧基，一个较低的烷氧羰氧基，一个环烷基氧羰氧基，或5-甲基-2-氧代-1,3-二氧杂环戊-4-基）等。
• Benzazepine derivatives useful as vasopressin antagonists
  申请人：Kondo Kazumi

  公开号：US08669229B2

  公开（公告）日：2014-03-11

  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-dioxo-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，能够长时间维持托瓦普坦的血液水平，从而实现所需的药效。本发明的苯并氮杂环化合物由通式（1）表示，其中R1代表一个- CO-（CH2）n-COR2基团（其中n是1到4的整数，R2是（2-1）一个羟基；（2-2）一个较低的烷氧基，可选地取代为羟基，较低的酰基，较低的酰氧基，较低的烷氧羰氧基，环烷氧羰氧基或5-甲基-2-氧代-1,3-二氧代-4-基；或（2-3）一个氨基，可选地取代为羟基-较低烷基基团），等等。