(+/-)-5-amino-4'-chloro-1,3-dihydrospiro[indene-2,3'-pyrrolo[2,3-d]pyrimidin]-6'(7'H)-one | 879132-55-5

• 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: (+/-)-5-amino-4'-chloro-1,3-dihydrospiro[indene-2,3'-pyrrolo[2,3-d]pyrimidin]-6'(7'H)-one
• 英文别名: (+/-)-5-amino-4'-chloro-1,3-dihydrospiro[indene-2,5'-pyrrolo[2,3-d]pyrimidin]-6'(7'H)-one；5-amino-4'-chlorospiro[1,3-dihydroindene-2,5'-7H-pyrrolo[2,3-d]pyrimidine]-6'-one
• CAS: 879132-55-5
• 化学式: C₁₄H₁₁ClN₄O
• 分子量: 286.721
• InChiKey: MIEAAEWAJMFNPR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  20
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  80.9
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  (+/-)-4'-chloro-5-nitro-1,3-dihydrospiro[indene-2,5'-pyrrolo[2.3-d]pyrimidin]-6'(7'H)-one 在 palladium 10% on activated carbon 氢气 、 三乙胺 作用下， 以 乙酸乙酯 为溶剂， 反应 2.0h， 生成 (+/-)-5-amino-4'-chloro-1,3-dihydrospiro[indene-2,3'-pyrrolo[2,3-d]pyrimidin]-6'(7'H)-one
  参考文献：
  名称：

  [EN] MONOCYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS
  [FR] ANTAGONISTES DE RECEPTEURS CGRP D'ANILIDE SPIROLACTAME MONOCYCLIQUE

  摘要：

  公开号：

  WO2006029153A3

文献信息

• Tricyclic Anilide Spirolactam Cgrp Receptor Antagonists
  申请人：Bell Ian M.

  公开号：US20080214511A1

  公开（公告）日：2008-09-04

  The present invention is directed to compounds of Formula I: I (where A 1 , A 2 , B 1 , B 2 , B 3 , B 4 , D 1 , D 2 , J, K, T, U, V, W, X, Y, Z, R 4 , R 5a , R 5b , R 5c , m and n are defined herein) useful as antagonists of CGRP receptors and useful in the treatment or prevention of diseases in which the CGRP is involved, such as headache, 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 is involved.

  本发明涉及式I的化合物：I（其中A1，A2，B1，B2，B3，B4，D1，D2，J，K，T，U，V，W，X，Y，Z，R4，R5a，R5b，R5c，m和n在此定义），用作CGRP受体的拮抗剂，并用于治疗或预防CGRP参与的疾病，例如头痛、偏头痛和群集性头痛。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参与的这些疾病中使用这些化合物和组合物的用途。
• Spirolactam Bicyclic CGRP Receptor Antagonists
  申请人：Bell Ian M.

  公开号：US20090325991A1

  公开（公告）日：2009-12-31

  Compounds of formula I: (wherein variables A 1 , A 2 , A 3 , A 4 , A 5 , A 6 , A 7 , B, 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.

  化合物I的公式：（其中变量A1、A2、A3、A4、A5、A6、A7、B、E1、E2、E3、E4、E5、G1、G2、J和K如本文所述），这些化合物是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在预防或治疗CGRP参与的这些疾病中使用这些化合物和组合物。
• 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。
• Bicyclic Anilide Spirolactam Cgrp Receptor Antagonists
  申请人：Bell M. Ian

  公开号：US20080096878A1

  公开（公告）日：2008-04-24

  The present invention is directed to compounds of Formula (I): (where variables A 1 , A 2 , B, J, K, m, n, R 4 , R 5a , R 5b and R 5c are as defined herein) useful as antagonists of CGRP receptors and useful in the treatment or prevention of diseases in which the CGRP is involved, such as headache, 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 is involved.

  本发明涉及公式（I）的化合物：（其中变量A1、A2、B、J、K、m、n、R4、R5a、R5b和R5c的定义如本文所述），该化合物可用作CGRP受体拮抗剂，并可用于治疗或预防CGRP参与的疾病，如头痛、偏头痛和集群头痛。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参与的这些疾病中使用这些化合物和组合物的用途。
• Monocyclic anilide spirolactam cgrp receptor antagonists
  申请人：Bell Ian M.

  公开号：US20090054408A1

  公开（公告）日：2009-02-26

  The present invention is directed to compounds of Formula I: I (where A 1 , A 2 , B, J, K, m, n, R 4 , R 5a , R 5b and R 5c are as defined herein) useful as antagonists of CGRP receptors and useful in the treatment or prevention of diseases in which the CORP is involved, such as headache, 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 is involved.

  本发明涉及式I的化合物：I（其中A1、A2、B、J、K、m、n、R4、R5a、R5b和R5c的定义如本文所述），其作为CGRP受体拮抗剂在治疗或预防与CGRP有关的疾病，如头痛、偏头痛和集群头痛方面有用。本发明还涉及包含这些化合物的药物组合物，以及使用这些化合物和组合物预防或治疗CGRP参与的这些疾病的方法。