methyl 2-[3-(2-tert-butoxy-2-oxoethyl)-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl]-1,3-thiazole-4-carboxylate | 767305-15-7

• 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: methyl 2-[3-(2-tert-butoxy-2-oxoethyl)-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl]-1,3-thiazole-4-carboxylate
• 英文别名: methyl 2-[3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxobenzimidazol-1-yl]-1,3-thiazole-4-carboxylate
• CAS: 767305-15-7
• 化学式: C₁₈H₁₉N₃O₅S
• 分子量: 389.432
• InChiKey: QGROFUAPMJRKMQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  27
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  117
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  methyl 2-[3-(2-tert-butoxy-2-oxoethyl)-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl]-1,3-thiazole-4-carboxylate 在 盐酸 作用下， 以 乙酸乙酯 为溶剂， 反应 0.42h， 生成 {3-[4-(methoxycarbonyl)-1,3-thiazol-2-yl]-2-oxo-2,3-dihydro-1H-benzimidazol-1-y}acetic acid
  参考文献：
  名称：

  WO2008/130512

  摘要：

  公开号：
• 作为产物：
  描述：

  tert-butyl [3-(4-bromo-1,3-thiazol-2-yl)-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl]acetate 、 三乙胺 在 双三苯基磷二氯化钯 一氧化碳 、 氯仿 、 碳酸氢钠 、 Sodium sulfate-III 、 crude product 、 silica gel 、 正己烷 、 乙酸乙酯 作用下， 以 甲醇 为溶剂， 反应 48.0h， 以EtOAc-100:0 to 60:40, to give the title compound的产率得到methyl 2-[3-(2-tert-butoxy-2-oxoethyl)-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl]-1,3-thiazole-4-carboxylate
  参考文献：
  名称：

  Bicyclic anilide spirolactam CGRP receptor antagonists

  摘要：

  本发明涉及式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），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的用途。

  公开号：

  US08003792B2

文献信息

• Bicyclic anilide spirohydantoin cgrp receptor antagonists
  申请人：Bell M. Ian

  公开号：US20060211712A1

  公开（公告）日：2006-09-21

  The present invention is directed to compounds of the formula: that are antagonists of CGRP receptors and that are 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.

  本发明涉及以下公式的化合物： 该化合物是CGRP受体拮抗剂，可用于治疗或预防CGRP参与的疾病，例如头痛，偏头痛和集群性头痛。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。
• 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。
• Bicyclic anilide spirohydantoin CGRP receptor antagonists
  申请人：Merck & Co., Inc.

  公开号：US07202251B2

  公开（公告）日：2007-04-10

  The present invention is directed to compounds of the formula: that are antagonists of CGRP receptors and that are 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.

  本发明涉及以下化合物：该化合物是CGRP受体拮抗剂，可用于治疗或预防CGRP参与的疾病，例如头痛、偏头痛和群发性头痛。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参与的上述疾病的方法。
• BICYCLIC ANILIDE HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS
  申请人：Bell Ian M.

  公开号：US20100093759A1

  公开（公告）日：2010-04-15

  Compounds of formula I: 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.

  公式I的化合物：I（其中变量A1、A2、B、m、n、J、R4、G1、G2、G3和Y如本文所述），它们是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。
• Bicyclic anilide spirolactam CGRP receptor antagonists
  申请人：Merck Sharp & Dohme Corp.

  公开号：US08003792B2

  公开（公告）日：2011-08-23

  The present invention is directed to compounds of Formula I: (where variables A1, A2, B, J, K, m, n, R4, R5a, R5b and R5c 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），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的用途。