4-(2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-3(2H)-yl)-N-[(3R)-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-1,4-benzodiazepin-3-yl]piperidine-1-carboxamide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯二氮卓类
• 英文名称: 4-(2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-3(2H)-yl)-N-[(3R)-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-1,4-benzodiazepin-3-yl]piperidine-1-carboxamide
• 英文别名: (R)-4-(2-oxo-1,2-dihydropyrido[2,3-d]pyrimidin-3(4H)-yl)-N-(2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)piperidine-1-carboxamide；4-(2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-3-yl)-N-[(3R)-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)-3H-1,4-benzodiazepin-3-yl]piperidine-1-carboxamide
• 化学式: C₃₀H₂₈F₃N₇O₃
• 分子量: 591.593
• InChiKey: DIUPIPJGFBZPQQ-SANMLTNESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  43
• 可旋转键数：
  4
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  110
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  3-氨基-5-苯基-1-(2,2,2-三氟乙基)-1H-苯并[e][1,4]二氮杂革-2(3H)-酮 、 、 三乙胺 、 3-Piperidin-4-yl-3,4-dihydropyrido[2,3-d]pyrimidin-2(1H)-one bisTFA salt 在 氩 、 trifluoroacetic acid-acetonitrile 、 三氟乙酸 作用下， 以 四氢呋喃 、 二甲基亚砜 为溶剂， 反应 5.0h， 以to give TFA salt of the title compound (0.023 g, 29% yield)的产率得到三氟乙酸
  参考文献：
  名称：

  Benzodiazepine CGRP receptor antagonists

  摘要：

  本发明涉及式I的化合物：I（其中变量R1？，R2？，R3？，R6？，R7？，G，J，Q，T，U，V，W，X和Y如本文所定义），用于作为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使用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应用。

  公开号：

  US07476665B2

文献信息

• Methods for detecting nucleic acid variations
  申请人：Delgrosso Kathleen

  公开号：US20070111204A1

  公开（公告）日：2007-05-17

  The invention provides methods and diagnostic test kits for detecting target nucleic acid sequence variations in a sample. In particular, a plurality of oligonucleotide probe sets is provided. Each set has a target specific portion and a barcode. The target specific portions of the probes are suitable for ligation together when hybridized adjacent to one another on a corresponding target polynucleotide. The ligated product contains a barcode that binds to a probe attached to a substrate and hence facilitate the capture of the ligated product on the solid support. Detection is carried out with a gold nanoparticle-attached barcode that hybridizes with the barcode on the ligated product.

  该发明提供了一种用于检测样本中目标核酸序列变异的方法和诊断试剂盒。具体来说，提供了多个寡核苷酸探针组。每个组具有一个目标特异部分和一个条形码。当探针的目标特异部分在相应的目标多核苷酸上相邻杂交时，这些探针的目标特异部分适合进行连接。连接的产物包含一个与基质上附着的探针结合的条形码，从而有助于在固体支持上捕获连接的产物。检测是通过与连接的产物上的条形码杂交的金纳米颗粒附着的条形码进行的。
• Benzodiazepine cgrp receptor antagonists
  申请人：Burgey S. Christopher

  公开号：US20060135511A1

  公开（公告）日：2006-06-22

  The present invention is directed to compounds of Formula I: I (where variables R 1?, R / 2?, R 3?, R 4?, R 6?, R 7?, G, J, Q, T, U, V, W, X and Y 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I式化合物：I（其中变量R1，R2，R3，R4，R6，R7，G，J，Q，T，U，V，W，X和Y如本文所定义），其作为CGRP受体拮抗剂在治疗或预防CGRP参与的疾病，如头痛、偏头痛和群发性头痛中有用。本发明还涉及包含这些化合物的制药组合物和在预防或治疗CGRP参与的这些疾病中使用这些化合物和组合物的用途。
• BENZODIAZEPINE CGRP RECEPTOR ANTAGONISTS
  申请人：Merck Sharp & Dohme Corp.

  公开号：EP1641423B1

  公开（公告）日：2010-03-17
• US7476665B2
  申请人：——

  公开号：US7476665B2

  公开（公告）日：2009-01-13
• Benzodiazepine CGRP receptor antagonists
  申请人：Merck & Co., Inc.

  公开号：US07476665B2

  公开（公告）日：2009-01-13

  The present invention is directed to compounds of Formula I: I (where variables R1?, R2?, R3?, R6?, R7?, G, J, Q, T, U, V, W, X and Y 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：I（其中变量R1？，R2？，R3？，R6？，R7？，G，J，Q，T，U，V，W，X和Y如本文所定义），用于作为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使用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应用。