2,10-Diazatetracyclo[11.2.2.02,12.04,9]heptadeca-4,6,8-triene-3,11-dione | 521970-29-6

• 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: 2,10-Diazatetracyclo[11.2.2.02,12.04,9]heptadeca-4,6,8-triene-3,11-dione
• CAS: 521970-29-6
• 化学式: C₁₅H₁₆N₂O₂
• 分子量: 256.304
• InChiKey: YUCBJDWCQFSIHV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  19
• 可旋转键数：
  0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  49.4
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2,10-Diazatetracyclo[11.2.2.02,12.04,9]heptadeca-4,6,8-triene-3,11-dione 在 lithium aluminium tetrahydride 、 氯化铵 、 三乙胺 、 锌 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 为溶剂， 生成 (4-amino-2-chlorophenyl)(6,6a,7,8,9,10-hexahydro-7,10-ethanobenzo[e]pyrido[1,2-a][1,4]diazepin-5(12H)-yl)methanone
  参考文献：
  名称：

  Bridged bicyclic vasopressin receptor antagonists with V2-Selective or dual V1a/V2 activity

  摘要：

  The synthesis and biological testing of a novel series of nonpeptide vasopressin receptor antagonists, containing a bridged bicyclic nucleus, are reported. Variation of substituents (R-1-R-3) in general formula 3, and the configuration of the stereo-center, resulted in potent V-2-selective (e.g., 4) and balanced dual V-1a/V-2 (e.g., 10) compounds. Data from receptor binding, cell-based functional, and in vivo assays are presented. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00649-2
• 作为产物：
  描述：

  2-aza-2-(1-phenylethyl)-3-ethoxycarbonyl-<2,2,2>-bicyclooct-5-ene 在 palladium on activated charcoal 氢气 、 铁粉 、 溶剂黄146 、 三乙胺 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 生成 2,10-Diazatetracyclo[11.2.2.02,12.04,9]heptadeca-4,6,8-triene-3,11-dione
  参考文献：
  名称：

  Bridged bicyclic vasopressin receptor antagonists with V2-Selective or dual V1a/V2 activity

  摘要：

  The synthesis and biological testing of a novel series of nonpeptide vasopressin receptor antagonists, containing a bridged bicyclic nucleus, are reported. Variation of substituents (R-1-R-3) in general formula 3, and the configuration of the stereo-center, resulted in potent V-2-selective (e.g., 4) and balanced dual V-1a/V-2 (e.g., 10) compounds. Data from receptor binding, cell-based functional, and in vivo assays are presented. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00649-2

文献信息

• Bridged bicyclic amino acid-derived [1,4]benzodiazepine vasopressin receptor antagonists
  申请人：——

  公开号：US20030119822A1

  公开（公告）日：2003-06-26

  The invention is directed to bridged bicyclic amino acid-derived [1,4]benzodiazepine compounds, intermediates and pharmaceutical compositions thereof useful as vasopressin receptor antagonists and methods for treating vasopressin mediated disorders.

  这项发明涉及桥接双环氨基酸衍生的[1,4]苯二氮平化合物、中间体和药物组合物，可用作利尿激素受体拮抗剂，以及用于治疗利尿激素介导的疾病的方法。
• BRIDGED BICYCLE (1,4) BENZODIAZEPINE VASOPRESSIN RECEPTOR ANTAGONISTS
  申请人：Ortho-McNeil Pharmaceutical, Inc.

  公开号：EP1442040B1

  公开（公告）日：2007-05-23
• US6936604B2
  申请人：——

  公开号：US6936604B2

  公开（公告）日：2005-08-30