3R-3-Amino-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-benzo[e][1,4]diazepine | 177954-81-3

• 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: 3R-3-Amino-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-benzo[e][1,4]diazepine
• 英文别名: (3R)-3-amino-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-1,4-benzodiazepine；(3R)-3-amino-5-phenyl-1-(2,2,2-trifluoroethyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one；(3R)-1-(2,2,2-Trifluoroethyl)-3-amino-5-phenyl-1H-1,4-benzodiazepine-2(3H)-one；(3R)-3-amino-5-phenyl-1-(2,2,2-trifluoroethyl)-3H-1,4-benzodiazepin-2-one
• CAS: 177954-81-3
• 化学式: C₁₇H₁₄F₃N₃O
• 分子量: 333.313
• InChiKey: MKYYPGUUZBYUOW-OAHLLOKOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  24
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  58.7
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  N-氰基羰亚胺二苯基酯 、 3R-3-Amino-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-benzo[e][1,4]diazepine 在 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 72.0h， 生成
  参考文献：
  名称：

  WO2006/78554

  摘要：

  公开号：
• 作为产物：
  描述：

  2-氨基二苯甲酮 在 盐酸 、 ammonium hydroxide 、 2,4,6-三甲基苯磺酸叠氮化物 、 potassium tert-butylate 、 1-羟基苯并三唑 、 caesium carbonate 、 硫代异氰酸苯酯 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 、 三苯基膦 、 三氟乙酸 作用下， 以 四氢呋喃 、 乙醇 、 二氯甲烷 、 水 、 乙酸乙酯 、 N,N-二甲基甲酰胺 为溶剂， 生成 3R-3-Amino-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-benzo[e][1,4]diazepine
  参考文献：
  名称：

  （R）-2-（2,4-三氟甲基）-N- [2-氧代-5-苯基-1-（2， 2,2-三氟乙基）-2,3-二氢-1H-苯并[e] [1,4]二氮杂ze-3-基]乙酰胺。

  摘要：

  DOI：

  10.1021/jm970517u

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。
• Benodiazepine spirohydantoin cgrp receptor antagonists
  申请人：Bell M. Ian

  公开号：US20060189600A1

  公开（公告）日：2006-08-24

  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.

  本发明涉及一种针对CGRP受体的拮抗剂化合物，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CGRP参与的这些疾病中使用这些化合物和组合物的用途。
• Cgrp Receptor Antagonists
  申请人：Burgey Christopher S.

  公开号：US20080125413A1

  公开（公告）日：2008-05-29

  Compounds of Formula I: (where variables R1, R2, R3, R7, G, J, Q, T, 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, and 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I的公式：（其中变量R1、R2、R3、R7、G、J、Q、T、W、X和Y的定义如下），可作为CGRP受体拮抗剂，用于治疗或预防CGRP参与的疾病，如头痛、偏头痛和群集性头痛，以及包含这些化合物的制药组合物和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使用。
• Benodiazepine spirohydantoin CGRP receptor antagonists
  申请人：Merck & Co., Inc.

  公开号：US07205293B2

  公开（公告）日：2007-04-17

  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、偏头痛和集群头痛。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。