[3-(cyclopropylmethyl)-2-oxo-1,3-diazepan-1-yl]acetic acid | 766536-41-8

• 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: [3-(cyclopropylmethyl)-2-oxo-1,3-diazepan-1-yl]acetic acid
• 英文别名: 2-[3-(cyclopropylmethyl)-2-oxo-1,3-diazepan-1-yl]acetic acid
• CAS: 766536-41-8
• 化学式: C₁₁H₁₈N₂O₃
• 分子量: 226.276
• InChiKey: OEZPQNNEPQKYOX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  60.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  tert-butyl [3-(cyclopropylmethyl)-2-oxo-1,3-diazepan-1-yl]acetate 在 水 作用下， 以 二氯甲烷 、 三氟乙酸 为溶剂， 反应 3.0h， 生成 [3-(cyclopropylmethyl)-2-oxo-1,3-diazepan-1-yl]acetic acid
  参考文献：
  名称：

  Monocyclic anilide spirolactam CGRP receptor antagonists

  摘要：

  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。

  公开号：

  US07659300B2

文献信息

• [EN] MONOCYCLIC ANILIDE SPIROHYDANTOIN CGRP RECEPTOR ANTAGONISTS<br/>[FR] ANTAGONISTES DES RECEPTEURS DU CGRP D'ANILIDE SPIROHYDANTOINE MONOCYCLIQUE
  申请人：MERCK & CO INC

  公开号：WO2004083187A1

  公开（公告）日：2004-09-30

  The present invention is directed to compounds 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.

  本发明涉及一类CGRP受体拮抗剂化合物，用于治疗或预防涉及CGRP的疾病，如头痛、偏头痛和群集性头痛。该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的疾病中使用这些化合物和组合物。
• Monocyclic anilide spirohydantoin cgrp receptor antagonists
  申请人：Bell M. Ian

  公开号：US20060148779A1

  公开（公告）日：2006-07-06

  The present invention is directed to compounds 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.

  本发明涉及与CGRP受体拮抗的化合物，这些化合物在治疗或预防CGRP参与的疾病，如头痛、偏头痛和群头痛方面是有用的。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。
• 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。
• Monocyclic anilide spirohydantoin CGRP receptor antagonists
  申请人：Merck & Co., Inc.

  公开号：US07192954B2

  公开（公告）日：2007-03-20

  The present invention is directed to compounds 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.

  本发明涉及一种抗CGRP受体的化合物，可用于治疗或预防CGRP参与的疾病，如头痛、偏头痛和群头痛。该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方法。
• [EN] MONOCYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS<br/>[FR] ANTAGONISTES DE RECEPTEURS CGRP D'ANILIDE SPIROLACTAME MONOCYCLIQUE
  申请人：MERCK & CO INC

  公开号：WO2006029153A3

  公开（公告）日：2006-05-26