ethyl (4-oxo-4,5-dihydropyrrolo[4,3,2-de]quinolin-1(3H)-yl)acetate | 880090-80-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: ethyl (4-oxo-4,5-dihydropyrrolo[4,3,2-de]quinolin-1(3H)-yl)acetate
• 英文别名: ethyl 2-(6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraen-2-yl)acetate
• CAS: 880090-80-2
• 化学式: C₁₄H₁₄N₂O₃
• 分子量: 258.277
• InChiKey: SBPUNZHLYZIXAD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  60.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  ethyl (4-oxo-4,5-dihydropyrrolo[4,3,2-de]quinolin-1(3H)-yl)acetate 在 水 、 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 N,N-二异丙基乙胺 、 lithium hydroxide 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 4.08h， 生成 (+/-)-2-(4-oxo-4,5-dihydropyrrolo[4,3,2-de]quinolin-1(3H)-yl)-N-(2'-oxo-1',2',5,7-tetrahydrospiro[cyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridin]-3-yl)acetamide trifluoroacetate
  参考文献：
  名称：

  WO2008/153852

  摘要：

  公开号：
• 作为产物：
  描述：

  4-硝基芦竹碱 在 palladium 10% on activated carbon 硫酸 、 水 、 氢气 、 sodium hydride 、 对甲苯磺酸 、 sodium hydroxide 作用下， 以 乙醇 、 水 、 N,N-二甲基甲酰胺 、 甲苯 、 mineral oil 为溶剂， 20.0 ℃ 、101.33 kPa 条件下， 反应 52.67h， 生成 ethyl (4-oxo-4,5-dihydropyrrolo[4,3,2-de]quinolin-1(3H)-yl)acetate
  参考文献：
  名称：

  WO2008/153852

  摘要：

  公开号：

文献信息

• IMMUNOGENIC COMPOSITIONS FOR GRAM POSITIVE BACTERIA SUCH AS STREPTOCOCCUS AGALACTIAE
  申请人：Bell Ian M.

  公开号：US20090221535A1

  公开（公告）日：2009-09-03

  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 , T, U, V, W, X, Y, Z. R 4 , R 5a ?, R 5b , R 5c , R 6 , 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、T、U、V、W、X、Y、Z、R4、R5a？、R5b、R5c、R6、m和n在此定义），用作CGRP受体的拮抗剂，用于治疗或预防CGRP参与的疾病，如头痛、偏头痛和群头痛。本发明还涉及包含这些化合物的制药组合物以及这些化合物和组合物在预防或治疗CGRP参与的这些疾病中的使用。
• 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 Tricyclic CGRP Receptor Antagonists
  申请人：Bell Ian M.

  公开号：US20090105219A1

  公开（公告）日：2009-04-23

  Compounds of formula I: (wherein variables A 1 , A 2 , A 3 , A 4 , A 5 , A 6 , A 7 , B 1 , B 2 , B 3 , B 4 , D 1 , D 2 , E 1 , E 2 , E 3 , E 4 , E 5 , G 1 , G 2 , J, K, T, U, V, W, X, Y and Z 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的公式为：（其中变量A1，A2，A3，A4，A5，A6，A7，B1，B2，B3，B4，D1，D2，E1，E2，E3，E4，E5，G1，G2，J，K，T，U，V，W，X，Y和Z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。本发明还涉及含有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CGRP参与的疾病方面的使用。
• Spirohydantoin Tricyclic CGRP Receptor Antagonists
  申请人：Bell Ian M.

  公开号：US20090281080A1

  公开（公告）日：2009-11-12

  Compounds of formula I: (wherein variables A 1 , A 2 , A 3 , A 4 , A 5 , A 6 , A 7 , B 1 , B 2 , B 3 , B 4 , D 1 , D 2 , E 1 , E 2 , E 3 , E 4 , E 5 , G 1 , G 2 , R 6 , T, U, V, W, X, Y and Z 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.

  公式I的化合物：（其中变量A1，A2，A3，A4，A5，A6，A7，B1，B2，B3，B4，D1，D2，E1，E2，E3，E4，E5，G1，G2，R6，T，U，V，W，X，Y和Z如本文所述），这些化合物是CGRP受体的拮抗剂，对于治疗或预防CGRP参与的疾病，如偏头痛，具有用途。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。
• Tricyclic anilide spirohydantion CGRP receptor antagonists
  申请人：Merck Sharp & Dohme Corp.

  公开号：US07750010B2

  公开（公告）日：2010-07-06

  The present invention is directed to compounds of Formula I: I (where A1, A2, B1, B2, B3, B4, D1, D2, T, U, V, W, X, Y, Z, R4, R5a?, R5b, R5c, R6, 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，T，U，V，W，X，Y，Z，R4，R5a？，R5b，R5c，R6，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。