3-Bromo-5-methoxy-indazole-1-carboxylic acid tert-butyl ester | 870766-00-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡唑类
• 英文名称: 3-Bromo-5-methoxy-indazole-1-carboxylic acid tert-butyl ester
• 英文别名: tert-Butyl 3-bromo-5-methoxy-1H-indazole-1-carboxylate；tert-butyl 3-bromo-5-methoxyindazole-1-carboxylate
• CAS: 870766-00-0
• 化学式: C₁₃H₁₅BrN₂O₃
• 分子量: 327.178
• InChiKey: OMPXRHRTXSMLDH-UHFFFAOYSA-N

物化性质

• 沸点：
  413.1±48.0 °C(Predicted)
• 密度：
  1.45±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  53.4
• 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-Bromo-5-methoxy-indazole-1-carboxylic acid tert-butyl ester 在 盐酸 、 tris-(dibenzylideneacetone)dipalladium(0) 、 caesium carbonate 、 4,5-双二苯基膦-9,9-二甲基氧杂蒽 作用下， 以 1,4-二氧六环 、 异丙醇 为溶剂， 生成 (1-Benzo[1,3]dioxol-5-ylmethyl-piperidin-4-yl)-(5-methoxy-1H-indazol-3-yl)-amine
  参考文献：
  名称：

  Aminopiperidine indazoles as orally efficacious melanin concentrating hormone receptor-1 antagonists

  摘要：

  The synthesis and biological evaluation of novel 3-amino indazole melanin concentrating hormone receptor-1 antagonists are reported, several of which demonstrated functional activity of less than 100 nM. Compounds 19 and 28, two of the more potent compounds identified in this study, were characterized by high exposure in the brain and demonstrated robust efficacy when dosed in diet-induced obese mice. (c) 2005 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2005.08.049
• 作为产物：
  描述：

  2-甲基-4-甲氧基苯胺 在 氢氧化钾 、 N-溴代丁二酰亚胺(NBS) 、 溶剂黄146 、 sodium nitrite 作用下， 以 四氢呋喃 为溶剂， 生成 3-Bromo-5-methoxy-indazole-1-carboxylic acid tert-butyl ester
  参考文献：
  名称：

  Aminopiperidine indazoles as orally efficacious melanin concentrating hormone receptor-1 antagonists

  摘要：

  The synthesis and biological evaluation of novel 3-amino indazole melanin concentrating hormone receptor-1 antagonists are reported, several of which demonstrated functional activity of less than 100 nM. Compounds 19 and 28, two of the more potent compounds identified in this study, were characterized by high exposure in the brain and demonstrated robust efficacy when dosed in diet-induced obese mice. (c) 2005 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2005.08.049

文献信息

• Aminopiperidine indazoles as orally efficacious melanin concentrating hormone receptor-1 antagonists
  作者：Anil Vasudevan、Andrew J. Souers、Jennifer C. Freeman、Mary K. Verzal、Ju Gao、Mathew M. Mulhern、Derek Wodka、John K. Lynch、Kenneth M. Engstrom、Seble H. Wagaw、Sevan Brodjian、Brian Dayton、Doug H. Falls、Eugene Bush、Michael Brune、Robin D. Shapiro、Kennan C. Marsh、Lisa E. Hernandez、Christine A. Collins、Philip R. Kym

  DOI：10.1016/j.bmcl.2005.08.049

  日期：2005.12

  The synthesis and biological evaluation of novel 3-amino indazole melanin concentrating hormone receptor-1 antagonists are reported, several of which demonstrated functional activity of less than 100 nM. Compounds 19 and 28, two of the more potent compounds identified in this study, were characterized by high exposure in the brain and demonstrated robust efficacy when dosed in diet-induced obese mice. (c) 2005 Published by Elsevier Ltd.