2-[3-(1H-indol-3-ylmethyl)-3-methyl-2,4-dioxo-5-phenyl-2,3,4,5-tetrahydro-benzo[b][1,4]diazepin-1-yl]-N-isopropyl-N-phenyl acetamide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯二氮卓类
• 英文名称: 2-[3-(1H-indol-3-ylmethyl)-3-methyl-2,4-dioxo-5-phenyl-2,3,4,5-tetrahydro-benzo[b][1,4]diazepin-1-yl]-N-isopropyl-N-phenyl acetamide
• 英文别名: 2-[3-(1H-indol-3-ylmethyl)-3-methyl-2,4-dioxo-5-phenyl-1,5-benzodiazepin-1-yl]-N-phenyl-N-propan-2-ylacetamide
• 化学式: C₃₆H₃₄N₄O₃
• 分子量: 570.691
• InChiKey: ZKDNDVCRFAKSGU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.5
• 重原子数：
  43
• 可旋转键数：
  7
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  76.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-(2,4-Dioxo-5-phenyl-2,3,4,5-tetrahydro-benzo[b][1,4]diazepin-1-yl)-N-isopropyl-N-phenyl acetamide 在 双(三甲基硅烷基)氨基钾 作用下， 反应 8.5h， 生成 2-[3-(1H-indol-3-ylmethyl)-3-methyl-2,4-dioxo-5-phenyl-2,3,4,5-tetrahydro-benzo[b][1,4]diazepin-1-yl]-N-isopropyl-N-phenyl acetamide
  参考文献：
  名称：

  3-（1H-吲唑-3-基甲基）-1,5-苯并二氮杂卓类化合物：CCK-A激动剂，具有饱腹感，具有口服活性。

  摘要：

  DOI：

  10.1021/jm960249k

文献信息

• CCK or gastrin modulating benzo \x9bb!\x9b1,4! diazepines derivatives
  申请人：Glaxo Wellcome Inc.

  公开号：US05859007A1

  公开（公告）日：1999-01-12

  Benzo\x9bb!\x9b1,4!diazepine compounds of formula (I), where R.sup.1 is selected from C.sub.1 C.sub.6 alkyl, C.sub.3 -C.sub.6 cycloalkyl, phenyl, or substituted phenyl; R.sup.2 is selected from C.sub.3 -C.sub.6 alkyl, C.sub.3 C.sub.6 cycloalkyl, C.sub.3 -C.sub.6 alkenyl, benzyl, phenylC.sub.1 -C.sub.3 alkyl of substituted phenyl; or NR.sup.1 R.sup.2 together form 1,2,3,4-tetrahydroquinoline or benzazepine, mono-, di-, or trisubstituted independently with C.sub.1-6 alkyl C.sub.1-6 alkoxy or halogen substituents; p is an integer 0 or 1; q is an integer 0 or 1; r is an integer 0 or 1; t is an integer 0 or 1, provided that when r is 0 then t is 0; R.sup.3, R.sup.5, and R.sup.6 are independently hydrogen or C.sub.1-6 alkyl; R.sup.4 is C.sub.1-6 alkyl or C.sub.1-6 alkenyl; R.sup.7 is selected from the group consisting of hydrogen, C.sub.1-6 alkyl, C.sub.1-6 cycloalkyl, C.sub.1-6 alkenyl, phenyl, substituted phenyl, napthyl, heteroaryl, substituted heteroaryl, bicycloheteroaryl or substituted bicycloheteroaryl; or NR.sup.6 R.sup.7 together form a saturated 5,6, or 7 membered ring optionally interrupted by 1,2,3 or 4 N, S or O heteroatoms, with the proviso that any two O or S atoms are not bonded to each other, m is an integer selected from the group of 0, 1, 2, 3 or 4; R.sup.8 and R.sup.9 are selected from a variety of substituents; Z is hydrogen or halogen; novel intermediates, a pharmaceutical composition for treating obesity, gall bladder stasis, disorders of pancreatic secretion, methods for such treatment and processes for preparing compounds of formula (I).

  公式（I）的苯二氮平化合物，其中R.sup.1选自C.sub.1-C.sub.6烷基，C.sub.3-C.sub.6环烷基，苯基或取代苯基; R.sup.2选自C.sub.3-C.sub.6烷基，C.sub.3-C.sub.6环烷基，C.sub.3-C.sub.6烯基，苄基，苯基C.sub.1-C.sub.3烷基的取代苯基; 或NR.sup.1R.sup.2一起形成1,2,3,4-四氢喹啉或苯并氮杂环，单独或二或三取代，其中取代基独立地为C.sub.1-6烷基，C.sub.1-6烷氧基或卤素取代基; p是整数0或1; q是整数0或1; r是整数0或1; t是整数0或1，前提是当r为0时，t为0; R.sup.3，R.sup.5和R.sup.6独立地为氢或C.sub.1-6烷基; R.sup.4为C.sub.1-6烷基或C.sub.1-6烯基; R.sup.7选自氢，C.sub.1-6烷基，C.sub.1-6环烷基，C.sub.1-6烯基，苯基，取代苯基，萘基，杂环芳基，取代杂环芳基，双环杂环芳基或取代双环杂环芳基; 或NR.sup.6R.sup.7一起形成由1,2,3或4个N，S或O杂原子可选地中断的饱和5,6或7成员环，但任何两个O或S原子不能相互键合，m是选自0,1,2,3或4的整数; R.sup.8和R.sup.9选自各种取代基; Z是氢或卤素; 新型中间体，用于治疗肥胖症，胆囊淤滞，胰腺分泌障碍的药物组合物，用于该治疗的方法以及制备公式（I）化合物的过程。
• 3-(1<i>H</i>-Indazol-3-ylmethyl)-1,5-benzodiazepines:  CCK-A Agonists That Demonstrate Oral Activity as Satiety Agents
  作者：Brad R. Henke、Timothy M. Willson、Elizabeth E. Sugg、Dallas K. Croom、Robert W. Dougherty,、Kennedy L. Queen、Larry S. Birkemo、Gregory N. Ervin、Mary K. Grizzle、Michael F. Johnson、Michael K. James

  DOI：10.1021/jm960249k

  日期：1996.1.1