(2R,3S)-N-((3S)-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl)-2,3-bis(3,3,3-trifluoropropyl)succinamide | 1401066-80-5

• 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,3S)-N-((3S)-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl)-2,3-bis(3,3,3-trifluoropropyl)succinamide
• 英文别名: (2S,3R)-N'-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]-2,3-bis(3,3,3-trifluoropropyl)butanediamide
• CAS: 1401066-80-5
• 化学式: C₂₅H₂₄F₆N₄O₃
• 分子量: 542.481
• InChiKey: WJEXAUOGHKSGBR-GCKMJXCFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  38
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  114
• 氢给体数：
  3
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  (2R,3S)-N-((3S)-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl)-2,3-bis(3,3,3-trifluoropropyl)succinamide 在 N,N-diethylethanamine hydrochloride 、 caesium carbonate 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 4.25h， 生成 (2R,3S)-N1-((S)-1-(chloromethyl)-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] PRODRUGS OF 1,4-BENZODIAZEPINONE COMPOUNDS
  [FR] PROMÉDICAMENTS DE COMPOSÉS 1,4-BENZODIAZÉPINONES

  摘要：

  揭示了Formula (I)的化合物及其盐，其中：a) R1为H或CH3，R2为Ry；或b) R1为Rx，R2为H；其中Rx和Ry在此处披露。还披露了使用这些化合物抑制Notch受体的方法，以及包含这些化合物的药物组合物。这些化合物是用于治疗、预防或减缓多种治疗领域的疾病或障碍的化合物的前药，如癌症。

  公开号：

  WO2014047391A1

文献信息

• BISFLUOROALKYL-1,4-BENZODIAZEPINONE COMPOUNDS
  申请人：GAVAI ASHVINIKUMAR V.

  公开号：US20120245151A1

  公开（公告）日：2012-09-27

  Disclosed are compounds of Formula (I) or prodrugs thereof; wherein: R 1 is —CH 2 CF 3 or —CH 2 CH 2 CF 3 ; R 2 is —CH 2 CF 3 , —CH 2 CH 2 CF 3 , or —CH 2 CH 2 CH 2 CF 3 ; R 3 is H or —CH 3 ; each R a is independently F, Cl, —CN, —OCH 3 , and/or —NHCH 2 CH 2 OCH 3 ; and z is zero, 1, or 2. 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.

  揭示了Formula (I)的化合物或其前药；其中：R1为—CH2CF3或—CH2CH2CF3；R2为—CH2CF3，—CH2CH2CF3，或—CH2CH2CH2CF3；R3为H或—CH3；每个Rai独立地为F，Cl，—CN，—OCH3，和/或—NHCH2CH2OCH3；z为零，1或2。还揭示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是有用的，比如癌症。
• [EN] BIS(FLUOROALKYL)-1,4-BENZODIAZEPINONE COMPOUNDS<br/>[FR] COMPOSÉS BIS(FLUOROALKYL)-1,4-BENZODIAZÉPINONE
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2012129353A1

  公开（公告）日：2012-09-27

  Disclosed are compounds of Formula (I) or prodrugs thereof; wherein: R1 is CH2CF3 or CH2CH2CF3; R2 is CH2CF3, CH2CH2CF3, or CH2CH2CH2CF3; R3 is H or CH3; each Ra is independently F, Cl, -CN, -OCH3, and/or NHCH2CH2OCH3; and z is zero, 1, or 2. 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.

  本文披露了式（I）的化合物或其前药，其中：R1为CH2CF3或CH2CH2CF3；R2为CH2CF3，CH2CH2CF3或CH2CH2CH2CF3；R3为H或CH3；每个Ra独立地为F，Cl，-CN，-OCH3和/或NHCH2CH2OCH3；z为零，1或2。还披露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药物组合物。这些化合物在多种治疗领域中用于治疗、预防或减缓疾病或障碍的进展，例如癌症。
• BIS(FLUOROALKYL)-1,4-BENZODIAZEPINONE COMPOUNDS
  申请人：BRISTOL-MYERS SQUIBB COMPANY

  公开号：US20140357605A1

  公开（公告）日：2014-12-04

  Disclosed are compounds of Formula (I) or prodrugs thereof; wherein: R 1 is —CH 2 CF 3 or —CH 2 CH 2 CF 3 ; R 2 is —CH 2 CF 3 , —CH 2 CH 2 CF 3 , or —CH 2 CH 2 CH 2 CF 3 ; R 3 is H or —CH 3 ; each R a is independently F, Cl, —CN, —OCH 3 , and/or —NHCH 2 CH 2 OCH 3 ; and z is zero, 1, or 2. 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）的化合物或其前药；其中：R1是—CH2CF3或—CH2CH2CF3；R2是—CH2CF3，—CH2CH2CF3或—CH2CH2CH2CF3；R3是H或—CH3；每个Ra独立地是F，Cl，—CN，—OCH3和/或—NHCH2CH2OCH3；z为零，1或2。本发明还公开了使用这些化合物抑制Notch受体的方法，以及包含这些化合物的药物组合物。这些化合物在治疗癌症等多种治疗领域中用于治疗、预防或减缓疾病或障碍的进展。
• PRODRUGS OF 1,4-BENZODIAZEPINONE COMPOUNDS
  申请人：BRISTOL-MYERS SQUIBB COMPANY

  公开号：US20150232491A1

  公开（公告）日：2015-08-20

  Disclosed are compounds of Formula (I) and salts thereof, wherein: a) R 1 is H or CH 3 , and R 2 is R y ; or b) R 1 is Rx and R 2 is H; wherein R x and R y are disclosed herein. Also disclosed are methods of using such compounds to inhibit the Notch receptor, and pharmaceutical compositions comprising such compounds. These compounds are prodrugs of compounds that are useful in treating, preventing, or slowing the progression of diseases or disorders in a variety of therapeutic areas, such as cancer.

  本文公开了式（I）的化合物及其盐，其中：a）R1为H或CH3，R2为Ry；或b）R1为Rx且R2为H；其中Rx和Ry在此被公开。还公开了使用这些化合物抑制Notch受体的方法，以及包含这些化合物的制药组合物。这些化合物是有用于治疗、预防或减缓多种治疗领域（如癌症）疾病或紊乱的化合物的前药。
• USE OF DIANHYDROGALACTITOL AND ANALOGS OR DERIVATIVES THEREOF TO TREAT NON-SMALL-CELL CARCINOMA OF THE LUNG AND OVARIAN CANCER
  申请人：Del Mar Pharmaceuticals

  公开号：EP3125920A2

  公开（公告）日：2017-02-08