1,4,5,6,7,8-六氢吡咯并[3,2-b]氮杂卓 | 442563-32-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - Pyrroloazepines
• 中文名称: 1,4,5,6,7,8-六氢吡咯并[3,2-b]氮杂卓
• 英文名称: 1,4,5,6,7,8-hexahydro-pyrrolo[3,2-b]azepine
• 英文别名: 1,4,5,6,7,8-Hexahydropyrrolo[3,2-B]azepine
• CAS: 442563-32-8
• 化学式: C₈H₁₂N₂
• 分子量: 136.197
• InChiKey: VGVPFVWGOUGSMA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  27.8
• 氢给体数：
  2
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1,4,5,6,7,8-六氢吡咯并[3,2-b]氮杂卓 在 palladium on activated charcoal 氢气 、 三乙胺 作用下， 以 氯仿 为溶剂， 生成
  参考文献：
  名称：

  Synthesis and Structure−Activity Relationships of 5,6,7,8-Tetrahydro-4H-thieno[3,2-b]azepine Derivatives:  Novel Arginine Vasopressin Antagonists

  摘要：

  A variety of novel heterocyclic compounds having thienoazepine, pyrroloazepine, furoazepine, and thienodiazepine skeletons were synthesized, most of which exhibited potent antagonism of [H-3]-AVP specific binding in assays using rat liver (V1), rat kidney (V2), human platelet plasma membranes, and recombinant human CHO cells (V2), as well as antagonizing AVP-induced hypertension in rats (V1, intravenous) and showing a diuretic effect in rats (V2, oral). By detailed studies of the structure-activity relationships of these compounds, the thienoazepine derivative 1 was found to be a very potent combined V1 and V2 antagonist. After further pharmacological and toxicological evaluation as well as physical properties, the hydrochloride 2 (JTV-605) of compound 1 was selected for clinical studies as a potent AVP antagonist with a long duration of action.

  DOI：

  10.1021/jm030287l
• 作为产物：
  描述：

  1,5,6,7-四氢-4H-吲哚-4-酮 在 吡啶 、 盐酸羟胺 、 二异丁基氢化铝 作用下， 以 二氯甲烷 为溶剂， 反应 5.0h， 生成 1,4,5,6,7,8-六氢吡咯并[3,2-b]氮杂卓
  参考文献：
  名称：

  Regioselective Synthesis of Several Heterocyclic Fused Azepines Using Diisobutylaluminum Hydride

  摘要：

  5,6,7,8-Tetrahydrothieno[3,2-b]azepine,5,6,7,8-tetrahydro-1H-furo[3,- 2b]azepine, and 1,4,5,6,7,8-hexahydropyrrolo [3,2-b]azepine were synthesized by the ring expansion reaction of heterocyclic fused cyclohexanone oximes with diisobutylaluminum hydride (DIBAH). The mechanism of the reaction was different from that of Beckmann rearrangement.

  DOI：

  10.3987/com-98-8104

文献信息

• HETEROCYCLIC NUCLEAR HORMONE RECEPTOR MODULATORS
  申请人：Cusack Kevin P.

  公开号：US20140179676A1

  公开（公告）日：2014-06-26

  The invention provides a compound of Formula (I) pharmaceutically acceptable salts, pro-drugs, biologically active metabolites, stereoisomers and isomers thereof wherein the variable are defined herein. The compounds of the invention are useful for treating immunological and oncological conditions.

  本发明提供了一种公式(I)的化合物，其中变量如本文所述定义。所述化合物的药用盐、前药、生物活性代谢物、立体异构体和同分异构体。本发明的化合物可用于治疗免疫学和肿瘤学疾病。
• 4-aryl substituted indolinones
  申请人：Sugen, Inc.

  公开号：US20030069297A1

  公开（公告）日：2003-04-10

  The present invention relates to 4-arylindolinones, as well as pharmaceutical compositions thereof, capable of modulating protein kinase signal transduction in order to regulate, modulate and/or inhibit abnormal cell proliferation. The present invention also relates to methods for treating protein kinase related disorders.

  本发明涉及4-芳基吲哚酮，以及其药物组合物，能够调节蛋白激酶信号传导，以调节、调节和/或抑制异常细胞增殖。本发明还涉及治疗蛋白激酶相关疾病的方法。
• 4-Aryl substituted indolinones
  申请人：Sugen, Inc.

  公开号：US20040157909A1

  公开（公告）日：2004-08-12

  The present invention relates to 4-arylindolinones, as well as pharmaceutical compositions thereof, capable of modulating protein kinase signal transduction in order to regulate, modulate and/or inhibit abnormal cell proliferation. The present invention also relates to methods for treating protein kinase related disorders.

  本发明涉及4-芳基吲哚酮，以及其制药组合物，能够调节蛋白激酶信号传导，以调节、调节和/或抑制异常细胞增殖。本发明还涉及用于治疗蛋白激酶相关疾病的方法。
• US6677368B2
  申请人：——

  公开号：US6677368B2

  公开（公告）日：2004-01-13
• US6861418B2
  申请人：——

  公开号：US6861418B2

  公开（公告）日：2005-03-01