1-(4-nitrobenzoyl)spiro[3,5-dihydro-2H-1-benzazepine-4,3'-cyclopentene]-1'-carbaldehyde | 388601-40-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯氮卓类
• 英文名称: 1-(4-nitrobenzoyl)spiro[3,5-dihydro-2H-1-benzazepine-4,3'-cyclopentene]-1'-carbaldehyde
• CAS: 388601-40-9
• 化学式: C₂₂H₂₀N₂O₄
• 分子量: 376.412
• InChiKey: MBGIFKYWEMPARM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  28
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  83.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-(4-nitrobenzoyl)spiro[3,5-dihydro-2H-1-benzazepine-4,3'-cyclopentene]-1'-carbaldehyde 在 sodium chlorite 、 sodium dihydrogenphosphate 、 硫酸 作用下， 以 水 、 二甲基亚砜 为溶剂， 生成 methyl 1-(4-nitrobenzoyl)spiro[3,5-dihydro-2H-1-benzazepine-4,3'-cyclopentene]-1'-carboxylate
  参考文献：
  名称：

  Synthesis and evaluation of nonpeptide substituted spirobenzazepines as potent vasopressin antagonists

  摘要：

  A series of substituted spirobenzazepines was prepared and evaluated as V-1a and V-2 dual vasopressin receptor antagonists. Compounds 7p and 7q have been shown to be not only potent inhibitors of vasopressin receptors, but also have exhibited an excellent overall pharmaceutical suitability profile. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.04.016
• 作为产物：
  描述：

  (4-nitrophenyl)-spiro[3,5-dihydro-2H-1-benzazepine-4,3'-cyclohexene]-1-ylmethanone 在 2,3-二巯基丁二酸 、 臭氧 、 对甲苯磺酸 作用下， 以 二氯甲烷 为溶剂， 以75%的产率得到1-(4-nitrobenzoyl)spiro[3,5-dihydro-2H-1-benzazepine-4,3'-cyclopentene]-1'-carbaldehyde
  参考文献：
  名称：

  Synthesis and evaluation of nonpeptide substituted spirobenzazepines as potent vasopressin antagonists

  摘要：

  A series of substituted spirobenzazepines was prepared and evaluated as V-1a and V-2 dual vasopressin receptor antagonists. Compounds 7p and 7q have been shown to be not only potent inhibitors of vasopressin receptors, but also have exhibited an excellent overall pharmaceutical suitability profile. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.04.016

文献信息

• Nonpeptide substituted spirobenzoazepines as vasopressin antagonists
  申请人：Chen H.K. Robert

  公开号：US20070117790A1

  公开（公告）日：2007-05-24

  The invention is directed to nonpeptide substituted benzodiazepines of Formula I, wherein A, X, n, R 1 , R 2 , R 3 , R 4 , R 5 , a and b are as described in the specification, which are useful as vasopressin receptor antagonists for treating conditions associated with vasopressin receptor activity such as those involving increased vascular resistance and cardiac insufficiency. Pharmaceutical compositions comprising a compound of Formula I and methods of treating conditions such as hypertension, congestive heart failure, cardiac insufficiency, coronary vasospasm, cardiac ischemia, liver cirrhosis, renal vasospasm, renal failure, cerebral edema and ischemia, stroke, thrombosis, or water retention are also disclosed.

  本发明涉及一种非肽替代苯二氮平类化合物，其化学式为I，其中A、X、n、R1、R2、R3、R4、R5、a和b如规范中所述，用作抗利尿激素受体拮抗剂，用于治疗与利尿激素受体活性相关的疾病，如涉及增加血管阻力和心脏衰竭的疾病。还公开了包含化合物I的药物组合物和治疗高血压、充血性心力衰竭、冠状动脉痉挛、心肌缺血、肝硬化、肾脏血管痉挛、肾功能衰竭、脑水肿和缺血、中风、血栓或水肿等疾病的方法。
• US7238687B2
  申请人：——

  公开号：US7238687B2

  公开（公告）日：2007-07-03
• US7365062B2
  申请人：——

  公开号：US7365062B2

  公开（公告）日：2008-04-29
• US7691844B2
  申请人：——

  公开号：US7691844B2

  公开（公告）日：2010-04-06
• Synthesis and evaluation of nonpeptide substituted spirobenzazepines as potent vasopressin antagonists
  作者：Min Amy Xiang、Robert H. Chen、Keith T. Demarest、Joseph Gunnet、Richard Look、William Hageman、William V. Murray、Donald W. Combs、Philip J. Rybczynski、Mona Patel

  DOI：10.1016/j.bmcl.2004.04.016

  日期：2004.6

  A series of substituted spirobenzazepines was prepared and evaluated as V-1a and V-2 dual vasopressin receptor antagonists. Compounds 7p and 7q have been shown to be not only potent inhibitors of vasopressin receptors, but also have exhibited an excellent overall pharmaceutical suitability profile. (C) 2004 Elsevier Ltd. All rights reserved.