2-(4-Chloro-1-heptan-4-yl-6-methylpyrrolo[3,2-c]pyridin-3-yl)ethanol | 476645-27-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯并吡啶类
• 英文名称: 2-(4-Chloro-1-heptan-4-yl-6-methylpyrrolo[3,2-c]pyridin-3-yl)ethanol
• 英文别名: 2-(4-chloro-1-heptan-4-yl-6-methylpyrrolo[3,2-c]pyridin-3-yl)ethanol
• CAS: 476645-27-9
• 化学式: C₁₇H₂₅ClN₂O
• 分子量: 308.851
• InChiKey: XNEJNFQSZKQZMG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  21
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  38
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-(4-Chloro-1-heptan-4-yl-6-methylpyrrolo[3,2-c]pyridin-3-yl)ethanol 在 tris(dibenzylideneacetone)dipalladium (0) 咪唑 、 4-二甲氨基吡啶 、 potassium phosphate 、 2-二环己基磷-2'-甲基联苯 作用下， 以 乙二醇二甲醚 、 N,N-二甲基甲酰胺 为溶剂， 20.0~100.0 ℃ 、413.7 kPa 条件下， 反应 0.33h， 生成 3-(2-((tert-butyldimethylsilyl)oxy)ethyl)-N-(3-fluoro-4-methoxyphenyl)-1-(heptan-4-yl)-6-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine
  参考文献：
  名称：

  Novel substituted tetrahydrotriazaacenaphthylene derivatives as potent CRF1 receptor antagonists

  摘要：

  Corticotropin-releasing factor (CRF), a 41 amino acid peptide neurohormone synthesised by specific hypothalamic nuclei in the brain, is implicated in stress-related function. Antagonism of CRF1 receptors is an attractive therapeutic approach for the treatment of depression and anxiety. Unsaturated tetrahydrotriazaacenaphthylenes of general structure 3 have been identified as potent and selective CRF1 receptor antagonists with a suitable oral pharmacokinetic profile. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.06.077
• 作为产物：
  描述：

  4-溴庚烷 在 盐酸 、 sodium tetrahydroborate 、 正丁基锂 、 sodium hydride 、 三氯氧磷 作用下， 以 四氢呋喃 、 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 2.67h， 生成 2-(4-Chloro-1-heptan-4-yl-6-methylpyrrolo[3,2-c]pyridin-3-yl)ethanol
  参考文献：
  名称：

  Novel substituted tetrahydrotriazaacenaphthylene derivatives as potent CRF1 receptor antagonists

  摘要：

  Corticotropin-releasing factor (CRF), a 41 amino acid peptide neurohormone synthesised by specific hypothalamic nuclei in the brain, is implicated in stress-related function. Antagonism of CRF1 receptors is an attractive therapeutic approach for the treatment of depression and anxiety. Unsaturated tetrahydrotriazaacenaphthylenes of general structure 3 have been identified as potent and selective CRF1 receptor antagonists with a suitable oral pharmacokinetic profile. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.06.077

文献信息

• Chemical compounds
  申请人：——

  公开号：US20040242623A1

  公开（公告）日：2004-12-02

  The present invention relates to tricyclic pyridines compounds of formula (I) including stereoisomers, prodrugs and pharmaceutically acceptable salts or solvates thereof: 1

  本发明涉及公式（I）的三环吡啶化合物，包括立体异构体、前药和其药学上可接受的盐或溶剂化物：1
• Tri-and tetraaza-acenaphthylen derivatives as crf receptor antagonists
  申请人：——

  公开号：US20040198726A1

  公开（公告）日：2004-10-07

  CRF receptor antagonists are disclosed which have utility in the treatment of a variety of disorders, including the treatment of disorders manifesting hypersecretion of CRF in a warm-blooded animals, such as stroke. The CRF receptor antagonists of this invention have the following structure of formula (I): including stereoisomers, prodrugs and pharmaceutically acceptable salts thereof, R1, R2, R4, R5, R6, A, X, and Y are as defined herein. Compositions containing a CRF receptor antagonist in combination with a pharmaceutically acceptable carrier are also disclosed, as well as methods for use of the same. 1

  本发明公开了CRF受体拮抗剂，这些拮抗剂可用于治疗多种疾病，包括治疗温血动物CRF分泌过多的疾病，如中风。本发明的 CRF 受体拮抗剂具有如下式（I）结构：包括其立体异构体、原药和药学上可接受的盐，R1、R2、R4、R5、R6、A、X 和 Y 如本文所定义。还公开了含有 CRF 受体拮抗剂与药学上可接受的载体结合的组合物，以及使用这些组合物的方法。 1
• TRI- AND TETRAAZA-ACENAPHTHYLEN DERIVATIVES AS CRF RECEPTOR ANTAGONISTS
  申请人：NEUROCRINE BIOSCIENCES, INC.

  公开号：EP1392689B1

  公开（公告）日：2006-10-25
• Tricyclic CRF receptor antagonists
  申请人：SB PHARMCO PUERTO RICO INC. CSC, The United States Corporation Company

  公开号：EP1425281B1

  公开（公告）日：2006-02-01
• US7273871B2
  申请人：——

  公开号：US7273871B2

  公开（公告）日：2007-09-25