(4R)-1-[4-[(2-fluorobenzoyl)amino]benzoyl]-N-[2-(dimethylamino)ethyl]-1,2,3,4-tetrahydro-spiro[4H-1-benzazepine-4,1'-[2]cyclopentene]-3'-carboxamide | 388598-00-3

• 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: (4R)-1-[4-[(2-fluorobenzoyl)amino]benzoyl]-N-[2-(dimethylamino)ethyl]-1,2,3,4-tetrahydro-spiro[4H-1-benzazepine-4,1'-[2]cyclopentene]-3'-carboxamide
• 英文别名: (4R)-N-[2-(dimethylamino)ethyl]-1-[4-[(2-fluorobenzoyl)amino]benzoyl]spiro[3,5-dihydro-2H-1-benzazepine-4,3'-cyclopentene]-1'-carboxamide
• CAS: 388598-00-3
• 化学式: C₃₃H₃₅FN₄O₃
• 分子量: 554.664
• InChiKey: OFQCVYOFPPDYDD-XIFFEERXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  41
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  81.8
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (4R)-1-[4-[(2-fluorobenzoyl)amino]benzoyl]-N-[2-(dimethylamino)ethyl]-1,2,3,4-tetrahydro-spiro[4H-1-benzazepine-4,1'-[2]cyclopentene]-3'-carboxamide 在 磷酸 、 水 作用下， 以 甲醇 为溶剂， 反应 0.5h， 生成 (4R)-1-[4-[(2-fluorobenzoyl)amino]benzoyl]-N-[2-(dimethylamino)ethyl]-1,2,3,4-tetrahydro-spiro[4H-1-benzazepine-4,1'-[2]cyclopentene]-3'-carboxamide phosphate
  参考文献：
  名称：

  Process for the preparation of nonpeptide substituted spirobenzoazepine derivatives

  摘要：

  新型螺合苯并氮杂环庚烷化合物，用于制备非肽替代螺合苯并氮杂环庚烷衍生物的新工艺，以及用于制备这类衍生物制备中间体的新工艺。用于制备非肽替代螺合苯并氮杂环庚烷衍生物的新中间体。

  公开号：

  US20040259857A1
• 作为产物：
  描述：

  methyl 1-(4-nitrobenzoyl)spiro[3,5-dihydro-2H-1-benzazepine-4,3'-cyclopentene]-1'-carboxylate 在 lithium hydroxide 、 TEA 、 1-羟基苯并三唑 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 、 tin(ll) chloride 作用下， 以 四氢呋喃 、 乙醇 、 二氯甲烷 为溶剂， 生成 (4R)-1-[4-[(2-fluorobenzoyl)amino]benzoyl]-N-[2-(dimethylamino)ethyl]-1,2,3,4-tetrahydro-spiro[4H-1-benzazepine-4,1'-[2]cyclopentene]-3'-carboxamide
  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

• PROCESS FOR THE PREPARATION OF NONPEPTIDE SUBSTITUTED SPIROBENZOAZEPINE DERIVATIVES
  申请人：Deng Xiaohu

  公开号：US20090105220A1

  公开（公告）日：2009-04-23

  Novel spirobenzoazepine compounds, novel processes for the preparation of nonpeptide substituted spirobenzoazepine derivatives, and novel processes for the preparation of intermediates in the preparation of such derivatives. Novel intermediates in the preparation of nonpeptide substituted spirobenzoazepine derivatives.

  新型螺苯并氮杂环化合物，制备非肽取代螺苯并氮杂环衍生物的新型方法，以及制备此类衍生物的中间体的新型方法。制备非肽取代螺苯并氮杂环衍生物的新型中间体。
• Process for the preparation of nonpeptide substituted spirobenzoazepine derivatives
  申请人：——

  公开号：US20040259857A1

  公开（公告）日：2004-12-23

  Novel spirobenzoazepine compounds, novel processes for the preparation of nonpeptide substituted spirobenzoazepine derivatives, and novel processes for the preparation of intermediates in the preparation of such derivatives. Novel intermediates in the preparation of nonpeptide substituted spirobenzoazepine derivatives.

  新型螺合苯并氮杂环庚烷化合物，用于制备非肽替代螺合苯并氮杂环庚烷衍生物的新工艺，以及用于制备这类衍生物制备中间体的新工艺。用于制备非肽替代螺合苯并氮杂环庚烷衍生物的新中间体。
• 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.