(S)-(3-isopropyl-2,4-dioxo-6-phenyltetrahydropyrimidin-1(2H)-yl)acetic acid | 1059185-89-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑烷类
• 英文名称: (S)-(3-isopropyl-2,4-dioxo-6-phenyltetrahydropyrimidin-1(2H)-yl)acetic acid
• 英文别名: 2-[(6S)-2,4-dioxo-6-phenyl-3-propan-2-yl-1,3-diazinan-1-yl]acetic acid
• CAS: 1059185-89-5
• 化学式: C₁₅H₁₈N₂O₄
• 分子量: 290.319
• InChiKey: OBGNSWQCSBRDMT-LBPRGKRZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  77.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  (S)-3-{[(isopropylamino)carbonyl]amino}-3-phenylpropanoic acid 在 氯化亚砜 、 sodium hydride 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 反应 17.25h， 生成 (S)-(3-isopropyl-2,4-dioxo-6-phenyltetrahydropyrimidin-1(2H)-yl)acetic acid
  参考文献：
  名称：

  WO2008/112159

  摘要：

  公开号：

文献信息

• MONOCYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS
  申请人：Stump Craig A.

  公开号：US20100152216A1

  公开（公告）日：2010-06-17

  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、偏头痛和群发性头痛方面有用。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参与的这些疾病方面的使用。
• Monocyclic anilide spirolactam CGRP receptor antagonists
  申请人：Merck, Sharp & Dohme, Corp.

  公开号：US08148390B2

  公开（公告）日：2012-04-03

  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.

  本发明涉及一种公式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），其作为CGRP受体拮抗剂在治疗或预防CGRP参与的疾病，如头痛、偏头痛和群集性头痛中有用。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。
• US8148390B2
  申请人：——

  公开号：US8148390B2

  公开（公告）日：2012-04-03
• [EN] MONOCYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS<br/>[FR] ANTAGONISTES DES RÉCEPTEURS CGRP D'ANILIDE SPIROLACTAME MONOCYCLIQUE
  申请人：MERCK & CO INC

  公开号：WO2008112159A2

  公开（公告）日：2008-09-18

  [EN] The present invention is directed to compounds of Formula I: I (where variables A¹, A², B, J, K, m, n, R⁴, 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.
  [FR] Cette invention a trait à des composés de formule I (les variables A¹, A², B, J, K, m, n, R⁴, R^5a, R^5b et R^5c étant telles que définies dans la description) utilisés comme antagonistes des récepteurs CGRP et servant à traiter ou à prévenir les maladies dans lesquelles le récepteur CGRP est impliqué, par exemple le mal de tête, la migraine et la céphalée vasculaire de Horton. L'invention concerne également des compositions pharmaceutiques comprenant ces composés, et l'utilisation de ces composés et compositions pour prévenir ou traiter ces maladies dans lesquelles le récepteur CGRP est impliqué.