(2R,3R)-6,6,6-trifluoro-3-((5-(3-fluorophenyl)-9-methyl-2-oxo-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl) carbamoyl)-2-phenylhexanoic acid

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (2R,3R)-6,6,6-trifluoro-3-((5-(3-fluorophenyl)-9-methyl-2-oxo-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl) carbamoyl)-2-phenylhexanoic acid
• 英文别名: (2R,3R)-6,6,6-trifluoro-3-[[5-(3-fluorophenyl)-9-methyl-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]carbamoyl]-2-phenylhexanoic acid
• 化学式: C₂₉H₂₅F₄N₃O₄
• 分子量: 555.5
• InChiKey: HAGWMFQQEMMPSL-BOQQILRGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  40
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  108
• 氢给体数：
  3
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  (2R,3R)-tert-butyl 6,6,6-trifluoro-3-((5-(3-fluorophenyl)-9-methyl-2-oxo-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)carbamoyl)-2-phenylhexanoate 、 三氟乙酸 在 二氯甲烷 、 水 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 以to give (2R,3R)-6,6,6-trifluoro-3-((5-(3-fluorophenyl)-9-methyl-2-oxo-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl) carbamoyl)-2-phenylhexanoic acid as a light-yellow off-white solid的产率得到(2R,3R)-6,6,6-trifluoro-3-((5-(3-fluorophenyl)-9-methyl-2-oxo-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl) carbamoyl)-2-phenylhexanoic acid
  参考文献：
  名称：

  Fluoroalkyl-1,4-benzodiazepinone compounds

  摘要：

  本发明公开了式(I)的化合物： 其中，R2为苯基、氟苯基、氯苯基、三氟苯基、甲基异噁唑基或吡啶基；R3为H、CH3、CH2(环丙基)、吡啶基、氯吡啶基或甲氧基吡啶基；Ra、Rb、y和z在本文中有定义。本发明还公开了使用这些化合物来抑制Notch受体的方法，以及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。

  公开号：

  US09133139B2

文献信息

• FLUOROALKYL-1,4-BENZODIAZEPINONE COMPOUNDS
  申请人：BRISTOL-MYERS SQUIBB COMPANY

  公开号：US20150218111A1

  公开（公告）日：2015-08-06

  Disclosed are compounds of Formula (I): wherein: R 2 is phenyl, fluorophenyl, chlorophenyl, trifluorophenyl, methylisoxazolyl, or pyridinyl; R 3 is H, CH 3 , CH 2 (cyclopropyl), pyridinyl, chloropyridinyl, or methoxypyridinyl: and 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.

  本发明涉及式（I）的化合物，其中：R2是苯基，氟苯基，氯苯基，三氟苯基，甲基异噁唑基或吡啶基；R3是H，CH3，CH2（环丙基），吡啶基，氯吡啶基或甲氧基吡啶基；Ra，Rb，y和z在此定义。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药物组合物。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，例如癌症。
• US9133139B2
  申请人：——

  公开号：US9133139B2

  公开（公告）日：2015-09-15
• [EN] FLUOROALKYL-1,4-BENZODIAZEPINONE COMPOUNDS<br/>[FR] COMPOSÉS FLUOROALKYL-1,4-BENZODIAZÉPINONES
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2014047392A1

  公开（公告）日：2014-03-27

  Disclosed are compounds of Formula (I): wherein: R2 is phenyl, fluorophenyl, chlorophenyl, trifluorophenyl, methylisoxazolyl, or pyridinyl; R3 is H, CH3, CH2(cyclopropyl), pyridinyl, chloropyridinyl, or methoxypyridinyl: and 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.
• Fluoroalkyl-1,4-benzodiazepinone compounds
  申请人：BRISTOL-MYERS SQUIBB COMPANY

  公开号：US09133139B2

  公开（公告）日：2015-09-15

  Disclosed are compounds of Formula (I): wherein: R2 is phenyl, fluorophenyl, chlorophenyl, trifluorophenyl, methylisoxazolyl, or pyridinyl; R3 is H, CH3, CH2(cyclopropyl), pyridinyl, chloropyridinyl, or methoxypyridinyl: and 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.

  本发明公开了式(I)的化合物： 其中，R2为苯基、氟苯基、氯苯基、三氟苯基、甲基异噁唑基或吡啶基；R3为H、CH3、CH2(环丙基)、吡啶基、氯吡啶基或甲氧基吡啶基；Ra、Rb、y和z在本文中有定义。本发明还公开了使用这些化合物来抑制Notch受体的方法，以及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。