diethyl 2,2'-(2-isopropyl-4-nitro-1H-indol-1,3-diyl)diacetate | 880087-60-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: diethyl 2,2'-(2-isopropyl-4-nitro-1H-indol-1,3-diyl)diacetate
• 英文别名: diethyl 2,2'-(2-isopropyl-4-nitro-1H-indole-1,3-diyl)diacetate；Diethyl 2,2'-(2-isopropyl-4-nitro-1H-indole-1,3-diyl)diacetate；ethyl 2-[1-(2-ethoxy-2-oxoethyl)-4-nitro-2-propan-2-ylindol-3-yl]acetate
• CAS: 880087-60-5
• 化学式: C₁₉H₂₄N₂O₆
• 分子量: 376.409
• InChiKey: FDICOMRMDSJMOO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  27
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  103
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  (2-isopropyl-4-nitro-1H-indol-3-yl)acetonitrie 在 盐酸 、 硫酸 、 sodium hydride 作用下， 以 水 、 N,N-二甲基甲酰胺 、 mineral oil 为溶剂， 反应 73.58h， 生成 diethyl 2,2'-(2-isopropyl-4-nitro-1H-indol-1,3-diyl)diacetate
  参考文献：
  名称：

  WO2008/153852

  摘要：

  公开号：

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。
• Tricyclic anilide heterocyclic CGRP receptor antagonists
  申请人：Merck, Sharp & Dohme Corp.

  公开号：US08163752B2

  公开（公告）日：2012-04-24

  Compounds of formula I: wherein variables A1, A2, B, m, n, J, R4, G1, G2, G3 and Y 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.

  化合物的公式为I：其中变量A1、A2、B、m、n、J、R4、G1、G2、G3和Y如本文所述，这些化合物是CGRP受体拮抗剂，并且对于治疗或预防CGRP参与的疾病（如偏头痛）是有用的。本发明还涉及包括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 HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS
  申请人：Bell Ian

  公开号：US20100137328A1

  公开（公告）日：2010-06-03

  Compounds of formula I: wherein variables A 1 , A 2 , B, m, n, J, R 4 , G 1 , G 2 , G 3 and Y 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，B，m，n，J，R4，G1，G2，G3和Y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药物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。
• TRICYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS
  申请人：Bell Ian M.

  公开号：US20100160334A1

  公开（公告）日：2010-06-24

  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I式化合物：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），其作为CGRP受体拮抗剂在治疗或预防CGRP参与的疾病，如头痛，偏头痛和集群头痛中有用。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参与的这些疾病中使用这些化合物和组合物的用途。
• Tricyclic anilide spirolactam CGRP receptor antagonists
  申请人：Merck, Sharp & Dohme Corp.

  公开号：US08133891B2

  公开（公告）日：2012-03-13

  The present invention is directed to compounds of Formula I: I (where A1, A2, B1, B2, B3, B4, D1, D2, J, K, T, U, V, W, X, Y, Z, R4, R5a, R5b, R5c, 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I式化合物：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），其作为CGRP受体拮抗剂在治疗或预防CGRP参与的疾病，如头痛、偏头痛和集群性头痛中有用。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参与的这些疾病中使用这些化合物和组合物的用途。