methyl 3-(7-methyl-1H-indazol-5-yl)propanoate | 1374220-35-5

• 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: methyl 3-(7-methyl-1H-indazol-5-yl)propanoate
• CAS: 1374220-35-5
• 化学式: C₁₂H₁₄N₂O₂
• 分子量: 218.255
• InChiKey: FZXKWLUOTIPLAB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  55
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  methyl 3-(7-methyl-1H-indazol-5-yl)propanoate 在 盐酸 、 N-甲基二环己基胺 、 水 、 双氧水 、 三乙胺 、 N,N-二异丙基乙胺 、 3-(二乙氧基邻酰氧基)-1,2,3-苯并三嗪-4-酮 、 lithium chloride 、 lithium hydroxide 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 二氯甲烷 、 水 为溶剂， 生成
  参考文献：
  名称：

  Calcitonin gene-related peptide (CGRP) receptor antagonists: Novel aspartates and succinates

  摘要：

  Novel aspartate and succinate CGRP full antagonists were identified through core modification of a potent lead CGRP antagonist, BMS-694153. While aspartates were much less active and had a flat SAR, some of the succinates were very potent CGRP full antagonists and matched the potency of BMS-694153. The most potency resides in the S enantiomer as demonstrated through an asymmetric synthesis. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.02.066
• 作为产物：
  描述：

  在 盐酸 、 palladium on activated charcoal 、 氢气 作用下， 以 1,4-二氧六环 、 甲醇 、 乙酸乙酯 为溶剂， 生成 methyl 3-(7-methyl-1H-indazol-5-yl)propanoate
  参考文献：
  名称：

  Calcitonin gene-related peptide (CGRP) receptor antagonists: Novel aspartates and succinates

  摘要：

  Novel aspartate and succinate CGRP full antagonists were identified through core modification of a potent lead CGRP antagonist, BMS-694153. While aspartates were much less active and had a flat SAR, some of the succinates were very potent CGRP full antagonists and matched the potency of BMS-694153. The most potency resides in the S enantiomer as demonstrated through an asymmetric synthesis. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.02.066

文献信息

• BRANCHED 3- AND 6-SUBSTITUTED QUINOLINES AS CGRP RECEPTORS ANTAGONISTS
  申请人：Wood Michael R.

  公开号：US20110105549A1

  公开（公告）日：2011-05-05

  The present invention is directed to novel branched 3- and 6-substituted quinoline derivatives which are antagonists of CGRP receptors and useful in the treatment or prevention of diseases in which CGRP is involved, such as migraine. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which CGRP is involved.

  本发明涉及新型的分枝3-和6-取代喹啉衍生物，它们是CGRP受体拮抗剂，可用于治疗或预防涉及CGRP的疾病，如偏头痛。本发明还涉及包含这些化合物的药物组合物以及在预防或治疗涉及CGRP的这些疾病中使用这些化合物和组合物。
• BRANCHED 3- AND 6-SUBSTITUTED QUINOLINES AS CGRP RECEPTOR ANTAGONISTS
  申请人：Merck Sharp & Dohme Corp.

  公开号：EP2299813B1

  公开（公告）日：2015-12-16
• US8377955B2
  申请人：——

  公开号：US8377955B2

  公开（公告）日：2013-02-19
• Calcitonin gene-related peptide (CGRP) receptor antagonists: Novel aspartates and succinates
  作者：Guanglin Luo、Ling Chen、Sokhom S. Pin、Cen Xu、Charles M. Conway、John E. Macor、Gene M. Dubowchik

  DOI：10.1016/j.bmcl.2012.02.066

  日期：2012.4

  Novel aspartate and succinate CGRP full antagonists were identified through core modification of a potent lead CGRP antagonist, BMS-694153. While aspartates were much less active and had a flat SAR, some of the succinates were very potent CGRP full antagonists and matched the potency of BMS-694153. The most potency resides in the S enantiomer as demonstrated through an asymmetric synthesis. (C) 2012 Elsevier Ltd. All rights reserved.