3-amino-7-methoxy-5-phenyl-1,3-dihydrobenzo[e][1,4]diazepin-2-one | 924279-42-5

• 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: 3-amino-7-methoxy-5-phenyl-1,3-dihydrobenzo[e][1,4]diazepin-2-one
• 英文别名: 3-amino-7-methoxy-5-phenyl-1H-benzo[e][1,4]diazepin-2(3H)-one；3-Amino-7-methoxy-5-phenyl-1H-benzo[e][1,4]diazepin-2(3H)-one；3-amino-7-methoxy-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
• CAS: 924279-42-5
• 化学式: C₁₆H₁₅N₃O₂
• 分子量: 281.314
• InChiKey: ZSHCXVULAFEGBM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  76.7
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-amino-7-methoxy-5-phenyl-1,3-dihydrobenzo[e][1,4]diazepin-2-one 在 benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate 、 氯化铵 、 O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate 、 三乙胺 、 N,N-二异丙基乙胺 、 三氟乙酸 作用下， 以 二氯甲烷 、 二甲基亚砜 为溶剂， 反应 32.03h， 生成 (2R,3S)-N1-((S)-7-methoxy-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-2,3-bis(3,3,3-trifluoropropyl)succinamide
  参考文献：
  名称：

  [EN] N-SUBSTITUTED BIS(FLUOROALKYL)-1,4-BENZODIAZEPINONE COMPOUNDS
  [FR] COMPOSÉS BIS(FLUOROALKYL)-1,4-BENZODIAZÉPINONE N-SUBSTITUÉS UTILISÉS COMME INHIBITEURS DE NOTCH

  摘要：

  公开号：

  WO2014047393A9
• 作为产物：
  描述：

  5-甲氧基靛红酸酐 在 N-甲基吗啉 、 正丁基锂 、 氨 、 氢溴酸 、 溶剂黄146 、 三乙胺 作用下， 以 四氢呋喃 、 甲醇 、 乙醇 、 正己烷 、 水 为溶剂， 反应 40.67h， 生成 3-amino-7-methoxy-5-phenyl-1,3-dihydrobenzo[e][1,4]diazepin-2-one
  参考文献：
  名称：

  1,4-Benzodiazepines as Inhibitors of Respiratory Syncytial Virus

  摘要：

  Respiratory syncytial virus (RSV) is the cause of one-fifth of all lower respiratory tract infections worldwide and is increasingly being recognized as a serious threat to patient groups with poorly functioning immune systems. Our approach to finding a novel inhibitor of this virus was to screen a 20 000-member diverse library in a whole cell XTT assay. Parallel assays were carried out in the absence of virus in order to quantify any associated cell toxicity. This identified 100 compounds with IC50's less than 50 mu M. A-33903 (18), a 1,4-benzodiazepine analogue, was chosen as the starting point for lead optimization. This molecule was moderately active and demonstrated good pharmacokinetic properties. The most potent compounds identified from this work were A-58568 (47), A-58569 (44), and A-62066 (46), where modifications to the aromatic substitution enhanced potency, and A-58175 (42), where the amide linker was modified.

  DOI：

  10.1021/jm051185t

文献信息

• N-SUBSTITUTED BIS(FLUOROALKYL)-1,4-BENZODIAZEPINONE COMPOUNDS
  申请人：BRISTOL-MYERS SQUIBB COMPANY

  公开号：US20150246892A1

  公开（公告）日：2015-09-03

  Disclosed are compounds of Formula (I): wherein: R 1 is —CH 2 CH 2 CF 3 ; R 2 is —CH 2 CH 2 CF 3 , or —CH 2 CH 2 CH 2 CF 3 ; R 3 is —CH 2 CF 3 , —CH 2 CN, —CH 2 (cyclopropyl), pyridinyl, chloropyridinyl, or tetrahydropyranyl; Ring A is phenyl or pyridinyl; R a , R b , y, and z are defined herein. Also disclosed are methods of using such compounds to inhibit the Notch receptor, and pharmaceutical compositions comprising such compounds. These compounds are useful in treating, preventing, or slowing the progression of diseases or disorders in a variety of therapeutic areas, such as cancer.

  本发明涉及化合物的公式（I）：其中：R1为—CH2CH2CF3；R2为—CH2CH2CF3或—CH2CH2CH2CF3；R3为—CH2CF3、—CH2CN、—CH2（环丙基）、吡啶基、氯吡啶基或四氢吡喃基；环A为苯基或吡啶基；Ra、Rb、y和z在此定义。还公开了使用这些化合物抑制Notch受体的方法和包含这些化合物的制药组合物。这些化合物可用于治疗、预防或减缓多种治疗领域的疾病或障碍，如癌症。
• N-substituted bis(fluoroalkyl)-1,4-benzodiazepinone compounds
  申请人：BRISTOL-MYERS SQUIBB COMPANY

  公开号：US09242940B2

  公开（公告）日：2016-01-26

  Disclosed are compounds of Formula (I): wherein: R1 is —CH2CH2CF3; R2 is —CH2CH2CF3, or —CH2CH2CH2CF3; R3 is —CH2CF3, —CH2CN, —CH2(cyclopropyl), pyridinyl, chloropyridinyl, or tetrahydropyranyl; Ring A is phenyl or pyridinyl; Ra, Rb, y, and z are defined herein. Also disclosed are methods of using such compounds to inhibit the Notch receptor, and pharmaceutical compositions comprising such compounds. These compounds are useful in treating, preventing, or slowing the progression of diseases or disorders in a variety of therapeutic areas, such as cancer.

  本发明涉及式(I)的化合物：其中：R1为—CH2CH2CF3；R2为—CH2CH2CF3或—CH2CH2CH2CF3；R3为—CH2CF3、—CH2CN、—CH2（环丙基）、吡啶基、氯吡啶基或四氢吡喃基；环A为苯基或吡啶基；Ra、Rb、y和z在此有定义。本发明还涉及使用这种化合物来抑制Notch受体的方法，以及包含这种化合物的制药组合物。这些化合物在治疗、预防或减缓多种治疗领域的疾病或障碍方面非常有用，如癌症。
• N-SUBSTITUTED BIS(FLUOROALKKYL)-1,4-BENZODIAZEPINONE COMPOUNDS AS NOTCH INHIBITORS
  申请人：Bristol-Myers Squibb Company

  公开号：EP2897946B1

  公开（公告）日：2016-11-16
• US9242940B2
  申请人：——

  公开号：US9242940B2

  公开（公告）日：2016-01-26
• [EN] N-SUBSTITUTED BIS(FLUOROALKYL)-1,4-BENZODIAZEPINONE COMPOUNDS AS NOTCH INHIBITORS<br/>[FR] COMPOSÉS BIS(FLUOROALKYL)-1,4-BENZODIAZÉPINONE N-SUBSTITUÉS UTILISÉS COMME INHIBITEURS DE NOTCH
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2014047393A1

  公开（公告）日：2014-03-27

  Disclosed are compounds of Formula (I): wherein: R1 is -CH2CH2CF3; R2 is -CH2CH2CF3, or -CH2CH2CH2CF3; R3 is -CH2CF3, -CH2CN, -CH2(cyclopropyl), pyridinyl, chloropyridinyl, or tetrahydropyranyl; Ring A is phenyl or pyridinyl; Ra, Rb, y, and z are defined herein. Also disclosed are methods of using such compounds to inhibit the Notch receptor, and pharmaceutical compositions comprising such compounds. These compounds are useful in treating, preventing, or slowing the progression of diseases or disorders in a variety of therapeutic areas, such as cancer.