(6S)-N-[(5R,6S,8S)-3-(2-hydroxypropan-2-yl)-5-methyl-6-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]-6'-oxo-5,6',7,7'-tetrahydrospiro[cyclopenta[b]pyridine-6,5'-pyrrolo[2,3-b]pyrimidine]-3-carboxamide | 1433986-26-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯并嘧啶类
• 英文名称: (6S)-N-[(5R,6S,8S)-3-(2-hydroxypropan-2-yl)-5-methyl-6-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]-6'-oxo-5,6',7,7'-tetrahydrospiro[cyclopenta[b]pyridine-6,5'-pyrrolo[2,3-b]pyrimidine]-3-carboxamide
• 英文别名: (6S)-N-[(5R,6S,8S)-3-(2-Hydroxypropan-2-yl)-5-methyl-6-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]-6'-oxo-5,6',7,7'-tetrahydrospiro[cyclopenta[b]pyridine-6,5'-pyrrolo[2,3-d]pyrimidine]-3-carboxamide；(6S)-N-[(5R,6S,8S)-3-(2-hydroxypropan-2-yl)-5-methyl-6-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]-6'-oxospiro[5,7-dihydrocyclopenta[b]pyridine-6,5'-7H-pyrrolo[2,3-d]pyrimidine]-3-carboxamide
• CAS: 1433986-26-5
• 化学式: C₃₁H₃₁N₇O₃
• 分子量: 549.632
• InChiKey: DHJJNHXHMYXXBX-HPCFUOJWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  41
• 可旋转键数：
  4
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  135
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  tert-butyl (6S)-4'-chloro-6'-oxo-5,6',7,7'-tetrahydrospiro[cyclopenta[b]pyridine-6,5'-pyrrolo[2,3-d]pyrimidine]-3-carboxylate 在 N-甲基吗啉 、 盐酸 、 N-羟基-7-氮杂苯并三氮唑 、 palladium 10% on activated carbon 、 氢气 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三乙胺 作用下， 以 1,4-二氧六环 、 乙酸乙酯 、 N,N-二甲基甲酰胺 为溶剂， 反应 34.0h， 生成 (6S)-N-[(5R,6S,8S)-3-(2-hydroxypropan-2-yl)-5-methyl-6-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]-6'-oxo-5,6',7,7'-tetrahydrospiro[cyclopenta[b]pyridine-6,5'-pyrrolo[2,3-b]pyrimidine]-3-carboxamide
  参考文献：
  名称：

  [EN] FUSED HETEROCYCLIC AZAINDANE CARBOXAMIDE CGRP RECEPTOR ANTAGONISTS
  [FR] ANTAGONISTES AZAINDANE CARBOXAMIDES HÉTÉROCYCLIQUES FUSIONNÉS DE RÉCEPTEURS DU CGRP

  摘要：

  本发明涉及融合的杂环氮吲哚羧酰胺衍生物，其为CGRP受体拮抗剂，在治疗或预防涉及CGRP的疾病，如偏头痛方面有用。该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的这类疾病中使用这些化合物和组合物。

  公开号：

  WO2013066360A1

文献信息

• FUSED HETEROCYCLIC AZAINDANE CARBOXAMIDE CGRP RECEPTOR ANTAGONISTS
  申请人：Burgey Christopher S.

  公开号：US20130267541A1

  公开（公告）日：2013-10-10

  The present invention is directed to fused heterocyclic azaindane carboxamide derivatives which are antagonists of CGRP receptors and useful in the treatment or prevention of diseases in which the 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.

  本发明涉及融合杂环的氮杂茚羧酰胺衍生物，其是CGRP受体的拮抗剂，可用于治疗或预防CGRP参与的疾病，如偏头痛。本发明还涉及包含这些化合物的制药组合物，以及使用这些化合物和组合物预防或治疗CGRP参与的这些疾病的用途。
• Fused heterocyclic azaindane carboxamide CGRP receptor antagonists
  申请人：Burgey Christopher S.

  公开号：US09067941B2

  公开（公告）日：2015-06-30

  The present invention is directed to fused heterocyclic azaindane carboxamide derivatives which are antagonists of CGRP receptors and useful in the treatment or prevention of diseases in which the 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.

  本发明涉及熔融杂环氮化萘羧酰胺衍生物，其为CGRP受体拮抗剂，用于治疗或预防CGRP参与的疾病，如偏头痛。本发明还涉及包含这些化合物的制药组合物以及在预防或治疗CGRP参与的这种疾病中使用这些化合物和组合物。
• US9067941B2
  申请人：——

  公开号：US9067941B2

  公开（公告）日：2015-06-30
• [EN] FUSED HETEROCYCLIC AZAINDANE CARBOXAMIDE CGRP RECEPTOR ANTAGONISTS<br/>[FR] ANTAGONISTES AZAINDANE CARBOXAMIDES HÉTÉROCYCLIQUES FUSIONNÉS DE RÉCEPTEURS DU CGRP
  申请人：MERCK SHARP & DOHME

  公开号：WO2013066360A1

  公开（公告）日：2013-05-10

  The present invention is directed to fused heterocyclic azaindane carboxamide derivatives which are antagonists of CGRP receptors and useful in the treatment or prevention of diseases in which the 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.

  本发明涉及融合的杂环氮吲哚羧酰胺衍生物，其为CGRP受体拮抗剂，在治疗或预防涉及CGRP的疾病，如偏头痛方面有用。该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的这类疾病中使用这些化合物和组合物。