4-(2-fluoro-benzoylamino)-benzoyl chloride | 388601-44-3

• 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: 4-(2-fluoro-benzoylamino)-benzoyl chloride
• 英文别名: 4-(2-Fluorobenzamido)benzoyl chloride；4-[(2-fluorobenzoyl)amino]benzoyl chloride
• CAS: 388601-44-3
• 化学式: C₁₄H₉ClFNO₂
• 分子量: 277.682
• InChiKey: SBZULSGIGAVREF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  46.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-(2-fluoro-benzoylamino)-benzoyl chloride 在 吡啶 、 三甲基氯硅烷 作用下， 以 甲苯 为溶剂， 反应 3.25h， 生成 (4R)-1-[4-[(2-fluorobenzoyl)amino]benzoyl]-1,2,3,4-tetrahydro-spiro[4H-1-benzazepine-4,1'-[2]cyclopentene]-3'-carboxylic acid
  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：

  4-(2-fluorobenzamido)benzoic acid 在 氯化亚砜 、 N,N-二甲基甲酰胺 作用下， 以 甲苯 为溶剂， 反应 1.0h， 生成 4-(2-fluoro-benzoylamino)-benzoyl chloride
  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

文献信息

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

  公开号：US20060111567A1

  公开（公告）日：2006-05-25

  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，它们可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，例如涉及增加血管阻力和心脏不全的疾病。本发明还揭示了包含化合物I的药物组合物以及治疗高血压、充血性心力衰竭、心脏不全、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、血栓形成或水潴留等疾病的方法。
• 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。
• Next-generation spirobenzazepines: Identification of RWJ-676070 as a balanced vasopressin V1a/V2 receptor antagonist for human clinical studies
  作者：Min Amy Xiang、Philip J. Rybczynski、Mona Patel、Robert H. Chen、David F. McComsey、Han-Cheng Zhang、Joseph W. Gunnet、Richard Look、Yuanping Wang、Lisa K. Minor、H. Marlon Zhong、Frank J. Villani、Keith T. Demarest、Bruce P. Damiano、Bruce E. Maryanoff

  DOI：10.1016/j.bmcl.2007.09.059

  日期：2007.12

  We have continued to explore spirobenzazepines as vasopressin receptor antagonists to follow up on RWJ-339489 (2), which had advanced into preclinical development. Further structural modi. cations were pursued to find a suitable backup compound for human clinical studies. Thus, we identified carboxylic acid derivative 3 (RWJ-676070; JNJ-17158063) as a potent, balanced vasopressin V-1a/V-2 receptor antagonist with favorable properties for clinical development. Compound 3 is currently undergoing human clinical investigation. (c) 2007 Elsevier Ltd. All rights reserved.
• Synthesis and evaluation of spirobenzazepines as potent vasopressin receptor antagonists
  作者：Min Amy Xiang、Robert H. Chen、Keith T. Demarest、Joseph Gunnet、Richard Look、William Hageman、William V. Murray、Donald W. Combs、Mona Patel

  DOI：10.1016/j.bmcl.2004.02.103

  日期：2004.6

  A novel series of spirobenzazepines was synthesized and evaluated for V-1a and V-2 receptor antagonist activity. Compounds 8b, 8i, and 8k have shown selective V-1a receptor antagonist activity. Compounds 8p and 8q were shown to be dual V-1a/V-2 receptor antagonists. (C) 2004 Elsevier Ltd. All rights reserved.
• NONPEPTIDE SUBSTITUTED SPIROBENZOAZEPINES AS VASOPRESSIN ANTAGONISTS
  申请人：Ortho-McNeil Pharmaceutical, Inc.

  公开号：EP1307430A1

  公开（公告）日：2003-05-07