3-(2-三甲基锡-乙氧基甲基)-6-乙烯基-3H-1,2,3噻唑并4,5-b吡啶 | 1313712-65-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三唑并吡啶类
• 中文名称: 3-(2-三甲基锡-乙氧基甲基)-6-乙烯基-3H-1,2,3噻唑并4,5-b吡啶
• 英文名称: 3-((2-(Trimethylsilyl)ethoxy)methyl)-6-vinyl-3H-[1,2,3]triazolo[4,5-b]pyridine
• 英文别名: 2-[(6-ethenyltriazolo[4,5-b]pyridin-3-yl)methoxy]ethyl-trimethylsilane
• CAS: 1313712-65-0
• 化学式: C₁₃H₂₀N₄OSi
• 分子量: 276.414
• InChiKey: KVZDSQISKJRTCX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.78
• 重原子数：
  19
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  52.8
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 海关编码：
  2933990090

反应信息

• 作为反应物：
  描述：

  3-(2-三甲基锡-乙氧基甲基)-6-乙烯基-3H-1,2,3噻唑并4,5-b吡啶 在 盐酸 、 9-borabicyclo[3.3.1]nonane dimer 、 三苯基膦 、 偶氮二甲酸二乙酯 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 生成
  参考文献：
  名称：

  Identification of 2-(4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-3-yl)-ethylamine derivatives as novel GnRH receptor antagonists

  摘要：

  A novel series of 2-(4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-3-yl)-ethylamine derivatives were designed and synthesized as GnRH receptor antagonists. SAR studies led to a series of highly active molecules against both the rat and human receptors. Furthermore, one potent compound, 17j, demonstrated dose-dependent LH suppression in castrated rats. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.05.009
• 作为产物：
  描述：

  6-bromo-3-((2-(trimethylsilyl)ethoxy)methyl)-3H-[1,2,3]triazolo[4,5-b]pyridine 、 三丁基乙烯基锡 在 bis-triphenylphosphine-palladium(II) chloride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 3-(2-三甲基锡-乙氧基甲基)-6-乙烯基-3H-1,2,3噻唑并4,5-b吡啶
  参考文献：
  名称：

  Identification of 2-(4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-3-yl)-ethylamine derivatives as novel GnRH receptor antagonists

  摘要：

  A novel series of 2-(4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-3-yl)-ethylamine derivatives were designed and synthesized as GnRH receptor antagonists. SAR studies led to a series of highly active molecules against both the rat and human receptors. Furthermore, one potent compound, 17j, demonstrated dose-dependent LH suppression in castrated rats. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.05.009

文献信息

• Identification of 2-(4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-3-yl)-ethylamine derivatives as novel GnRH receptor antagonists
  作者：Mi Chen、Zhiqiang Guo、Marion C. Lanier、Liren Zhao、Stephen F. Betz、Charles Q. Huang、Colin J. Loweth、Neil J. Ashweek、Xin-Jun Liu、R. Scott Struthers、Margaret J. Bradbury、James W. Behan、Jenny Wen、Zhihong O’Brien、John Saunders、Yun-Fei Zhu

  DOI：10.1016/j.bmcl.2007.05.009

  日期：2007.7

  A novel series of 2-(4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-3-yl)-ethylamine derivatives were designed and synthesized as GnRH receptor antagonists. SAR studies led to a series of highly active molecules against both the rat and human receptors. Furthermore, one potent compound, 17j, demonstrated dose-dependent LH suppression in castrated rats. (C) 2007 Elsevier Ltd. All rights reserved.