phenylmethyl N-[2,3-dihydro-5-phenyl-2-thioxo-1H-1,4-benzodiazepin-3-yl]carbamate | 111113-10-1

• 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: phenylmethyl N-[2,3-dihydro-5-phenyl-2-thioxo-1H-1,4-benzodiazepin-3-yl]carbamate
• 英文别名: benzyl N-(5-phenyl-2-sulfanylidene-1,3-dihydro-1,4-benzodiazepin-3-yl)carbamate
• CAS: 111113-10-1
• 化学式: C₂₃H₁₉N₃O₂S
• 分子量: 401.489
• InChiKey: SGHKETVOXPKMGY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  29
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  94.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  phenylmethyl N-[2,3-dihydro-5-phenyl-2-thioxo-1H-1,4-benzodiazepin-3-yl]carbamate 在 palladium on activated charcoal 硫酸 、 肼 作用下， 以 甲醇 、 乙醇 、 水 为溶剂， 反应 13.0h， 生成 6-phenyl-4H-<1,2,4>triazolo<4,3-a><1,4>benzodiazepin-4-ylamine formate salt
  参考文献：
  名称：

  Cholecystokinin antagonists. Synthesis and biological evaluation of 4-substituted 4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepines

  摘要：

  A series of 4-substituted 4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepines was prepared by standard methodology. These compounds were tested in vitro as antagonists of the binding of [125I]cholecystokinin (CCK) to rat pancreas and guinea pig brain receptors and of the binding of [125I]gastrin to guinea pig gastric glands. All compounds proved to have greater affinity for the peripheral CCK receptor with some analogues having IC50's in the subnanomolar range. In vivo activity of selected compounds in mice is presented and the structure/activity profile of this class of benzodiazepines as CCK antagonists is discussed.

  DOI：

  10.1021/jm00396a028
• 作为产物：
  描述：

  苄基(2-氧代-5-苯基-2,3-二氢-1H-苯并[E][1,4]二氮杂-3-基)氨基甲酸叔丁酯 在 劳森试剂 作用下， 以 甲苯 为溶剂， 反应 5.0h， 以92%的产率得到phenylmethyl N-[2,3-dihydro-5-phenyl-2-thioxo-1H-1,4-benzodiazepin-3-yl]carbamate
  参考文献：
  名称：

  Cholecystokinin antagonists. Synthesis and biological evaluation of 4-substituted 4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepines

  摘要：

  A series of 4-substituted 4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepines was prepared by standard methodology. These compounds were tested in vitro as antagonists of the binding of [125I]cholecystokinin (CCK) to rat pancreas and guinea pig brain receptors and of the binding of [125I]gastrin to guinea pig gastric glands. All compounds proved to have greater affinity for the peripheral CCK receptor with some analogues having IC50's in the subnanomolar range. In vivo activity of selected compounds in mice is presented and the structure/activity profile of this class of benzodiazepines as CCK antagonists is discussed.

  DOI：

  10.1021/jm00396a028

文献信息

• Triazolobenzodiazepines
  申请人：MERCK & CO. INC.

  公开号：EP0514125A1

  公开（公告）日：1992-11-19

  Pharmaceutical compositions containing Triazolobenzodiazepines of the formula: are disclosed which are useful in the treatment of panic disorder or anxiety disorder.

  本发明揭示了含有Triazolobenzodiazepines的药物组合物，其化学式为：这些组合物在惊恐障碍或焦虑障碍的治疗中是有用的。
• METHODS AND COMPOSITIONS FOR INHIBITION OF BROMODOMAIN-CONTAINING PROTEINS
  申请人：VANKAYALAPATI Hariprasad

  公开号：US20160024096A1

  公开（公告）日：2016-01-28

  The present invention relates to compounds that bind to and otherwise modulate the activity of bromodomain-containing proteins, to processes for preparing these compounds, to pharmaceutical compositions containing these compounds, and to methods of using these compounds for treating a wide variety of conditions and disorders.

  本发明涉及结合并调节含有溴域的蛋白质活性的化合物，以及制备这些化合物的方法，包括含有这些化合物的药物组合物和使用这些化合物治疗各种疾病和疾病的方法。
• BOCK, MARK G.;DIPARDO, ROBERT M.;EVANS, BEN E.;RITTLE, KENNETH E.;VEBER, +, J. MED. CHEM., 31,(1988) N 1, 176-181
  作者：BOCK, MARK G.、DIPARDO, ROBERT M.、EVANS, BEN E.、RITTLE, KENNETH E.、VEBER, +

  DOI：——

  日期：——
• ANTIARRHYTHMIC BENZODIAZEPINES
  申请人：Merck & Co., Inc.

  公开号：EP0730454A1

  公开（公告）日：1996-09-11
• EP0730454A4
  申请人：——

  公开号：EP0730454A4

  公开（公告）日：2003-06-04