(7S)-2'-oxo-1',2',6,8-tetrahydrospiro[cyclopenta[g]quinoline-7,3'-pyrrolo-[2,3-b]pyridin]-3-carbaldehyde | 938461-04-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯并吡啶类
• 英文名称: (7S)-2'-oxo-1',2',6,8-tetrahydrospiro[cyclopenta[g]quinoline-7,3'-pyrrolo-[2,3-b]pyridin]-3-carbaldehyde
• 英文别名: (7S)-2'-oxo-1',2',6,8-tetrahydrospiro[cyclopenta[g]quinoline-7,3'-pyrrolo[2,3-b]pyridine]-3-carbaldehyde；(3S)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-3'-carbaldehyde
• CAS: 938461-04-2
• 化学式: C₁₉H₁₃N₃O₂
• 分子量: 315.331
• InChiKey: NKMPEQQIIQETOM-IBGZPJMESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  24
• 可旋转键数：
  1
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  72
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (7S)-2'-oxo-1',2',6,8-tetrahydrospiro[cyclopenta[g]quinoline-7,3'-pyrrolo-[2,3-b]pyridin]-3-carbaldehyde 在 甲酸 、 双氧水 作用下， 以 水 为溶剂， 生成 (7S)-2'-oxo-1',2',6,8-tetrahydrospiro[cyclopenta[g]quinoline-7,3'-pyrrolo[2,3-b]pyridine]-3-carboxylic acid
  参考文献：
  名称：

  [EN] BRANCHED 3- AND 6-SUBSTITUTED QUINOLINES AS CGRP RECEPTOR ANTAGONISTS
  [FR] QUINOLÉINES 3- ET 6-SUBSTITUÉES RAMIFIÉES EN TANT QU'ANTAGONISTES DE RÉCEPTEUR CGRP

  摘要：

  本发明涉及新型分枝的3-和6-取代喹啉衍生物，其是CGRP受体拮抗剂，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。

  公开号：

  WO2009152010A1
• 作为产物：
  描述：

  (2S)-5-amino-1,3-dihydrospiro[indene-2,3'-pyrrolo[2,3-b]pyridin]-2'(1'H)-one 、 2-dimethylaminomethylene-1,3-bis(dimethylimmonio)propane bistetrafluoroborate 在 potassium acetate 、 溶剂黄146 作用下， 生成 (7S)-2'-oxo-1',2',6,8-tetrahydrospiro[cyclopenta[g]quinoline-7,3'-pyrrolo-[2,3-b]pyridin]-3-carbaldehyde
  参考文献：
  名称：

  Novel CGRP receptor antagonists from central amide replacements causing a reversal of preferred chirality

  摘要：

  A previously utilized quinoline-for-N-phenylamide replacement strategy was employed against a central amide in a novel class of CGRP receptor antagonists. A unique and unexpected substitution pattern was ultimately required to maintain reasonable affinity for the CGRP receptor, while at the same time predicting acceptable heterocycle positioning for related analogs. Subsequently, specific quinoline and naphthyridine compounds were prepared which supported these structural predictions by displaying CGRP binding affinities in the 0.037-0.15 nM range. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.08.105

文献信息

• [EN] 3- AND 6-QUINOLINES WITH N-ATTACHED HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS<br/>[FR] 3- ET 6-QUINOLINES AVEC ANTAGONISTES DE RÉCEPTEURS DE PEPTIDES ASSOCIÉS AU GÈNE DE LA CALCITONINE HÉTÉROCYCLIQUE À N LIAISONS
  申请人：MERCK SHARP & DOHME

  公开号：WO2010021919A1

  公开（公告）日：2010-02-25

  Compounds of Formula (I): (where variables R1A, R1B, R2, R3, R4, A, and Z are as defined herein) which are useful as antagonists of CGRP receptors, and useful in the treatment or prevention of diseases in which CGRP receptors are involved, such as headache, and in particular migraine and cluster headache. 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 receptors are involved.

  公式（I）的化合物：（其中变量R1A、R1B、R2、R3、R4、A和Z的定义如下），这些化合物可用作CGRP受体的拮抗剂，并且在治疗或预防涉及CGRP受体的疾病方面具有用处，例如头痛，特别是偏头痛和集群头痛。本发明还涉及包含这些化合物的药物组合物以及这些化合物和组合物在预防或治疗涉及CGRP受体的这类疾病中的用途。
• Spirolactam aryl cgrp receptor antagonists
  申请人：Bell Ian M.

  公开号：US20090247514A1

  公开（公告）日：2009-10-01

  Compounds of formula I: (wherein variables A 1 , A 2 , A 3 , A 4 , A 5 , A 6 , A 7 , E 1 , E 2 , E 3 , E 4 , E 5 , G 1 , G 2 , J and K are as described herein) which are antagonists of CGRP receptors and which are 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.

  化学式为I的化合物：（其中变量A1、A2、A3、A4、A5、A6、A7、E1、E2、E3、E4、E5、G1、G2、J和K如本文所述）是CGRP受体拮抗剂，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参与的疾病的方法。
• 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。
• 3- AND 6-QUINOLINES WITH N-ATTACHED HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS
  申请人：Wood Michael R.

  公开号：US20110306604A1

  公开（公告）日：2011-12-15

  Compounds of Formula (I): (where variables R 1A , R 1B , R 2 , R 3 , R 4 , A, and Z are as defined herein) which are useful as antagonists of CGRP receptors, and useful in the treatment or prevention of diseases in which CGRP receptors are involved, such as headache, and in particular migraine and cluster headache. 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 receptors are involved.

  公式(I)的化合物：（其中变量R1A，R1B，R2，R3，R4，A和Z的定义如本文所述），可用作CGRP受体的拮抗剂，对于治疗或预防CGRP受体参与的疾病，如头痛，尤其是偏头痛和集群头痛非常有用。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受体参与的上述疾病方面使用这些化合物和组合物。
• RADIOLABELED CGRP ANTAGONISTS
  申请人：Bell Ian M.

  公开号：US20120121508A1

  公开（公告）日：2012-05-17

  The present invention is directed to radiolabeled CGRP receptor antagonists which are useful for the quantitative imaging of CGRP receptors in mammals.

  本发明涉及用于哺乳动物中CGRP受体定量成像的放射性标记的CGRP受体拮抗剂。