2-(2-Methyl-1-oxidopyridin-1-ium-4-yl)ethanol | 292609-83-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 2-(2-Methyl-1-oxidopyridin-1-ium-4-yl)ethanol
• CAS: 292609-83-7
• 化学式: C₈H₁₁NO₂
• 分子量: 153.181
• InChiKey: CNLTZWHYPJZETN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  45.7
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-(2-Methyl-1-oxidopyridin-1-ium-4-yl)ethanol 在 正丙胺 、 三苯基膦 、 偶氮二甲酸二乙酯 作用下， 以 二氯甲烷 为溶剂， 反应 3.33h， 生成 1-(2-azabicyclo[2.2.2]octan-2-yl)-2-[2-(3,5-dimethylphenyl)-3-[(2S)-1-[2-(2-methyl-1-oxidopyridin-1-ium-4-yl)ethylamino]propan-2-yl]-1H-indol-5-yl]-2-methylpropan-1-one
  参考文献：
  名称：

  Modification of the pyridine moiety of non-peptidyl indole GnRH receptor antagonists

  摘要：

  The synthesis of a number of indole GnRH antagonists is described. Oxidation of the pyridine ring nitrogen, combined with alkylation at the two position, led to a compound with an excellent in vitro activity profile as well as oral bioavailability in both rats and dogs. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00751-5
• 作为产物：
  描述：

  2-(2-methyl-4-pyridinyl)ethanol 在 双氧水 、 甲基三氧化铼(VII) 作用下， 以 二氯甲烷 为溶剂， 生成 2-(2-Methyl-1-oxidopyridin-1-ium-4-yl)ethanol
  参考文献：
  名称：

  Modification of the pyridine moiety of non-peptidyl indole GnRH receptor antagonists

  摘要：

  The synthesis of a number of indole GnRH antagonists is described. Oxidation of the pyridine ring nitrogen, combined with alkylation at the two position, led to a compound with an excellent in vitro activity profile as well as oral bioavailability in both rats and dogs. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00751-5

文献信息

• EP1165076A4
  申请人：——

  公开号：EP1165076A4

  公开（公告）日：2002-05-15
• 6-AZAINDOLE COMPOUNDS AS ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE
  申请人：Merck & Co., Inc.

  公开号：EP1165076A1

  公开（公告）日：2002-01-02
• [EN] 6-AZAINDOLE COMPOUNDS AS ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE<br/>[FR] COMPOSES DE 6-AZAINDOLE COMME ANTAGONISTES DE LA GONADOLIBERINE
  申请人：MERCK & CO INC

  公开号：WO2000053181A1

  公开（公告）日：2000-09-14

  There are disclosed compounds of formula (I) and pharmaceutically acceptable salts thereof which are useful as antagonists of GnRH and as such may be useful for the treatment of a variety of sex-hormone related and other conditions in both men and women.