3-[[5-(3-Chlorophenyl)-9-ethyl-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]carbamoyl]-6,6,6-trifluoro-2-(3,3,3-trifluoropropyl)hexanoic 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: 3-[[5-(3-Chlorophenyl)-9-ethyl-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]carbamoyl]-6,6,6-trifluoro-2-(3,3,3-trifluoropropyl)hexanoic acid
• 英文别名: 3-[[5-(3-chlorophenyl)-9-ethyl-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]carbamoyl]-6,6,6-trifluoro-2-(3,3,3-trifluoropropyl)hexanoic acid
• 化学式: C₂₇H₂₆ClF₆N₃O₄
• 分子量: 606.0
• InChiKey: PIVDZXYUZGUJSQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  41
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  108
• 氢给体数：
  3
• 氢受体数：
  11

文献信息

• BIS(FLUOROALKYL)-1,4-BENZODIAZEPINONE COMPOUNDS AND PRODRUGS THEREOF
  申请人：Bristol-Myers Squibb Company

  公开号：US20150166489A1

  公开（公告）日：2015-06-18

  Disclosed are compounds of Formula (I) and/or salts thereof: 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 H, —CH 3 , or R x ; R 4 is H or R y ; Ring A is phenyl or pyridinyl; and R x , R y , 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; or as prodrugs of such compounds.

  本发明涉及公式（I）的化合物和/或其盐：其中，R1为—CH2CH2CF3；R2为—CH2CH2CF3或—CH2CH2CH2CF3；R3为H，—CH3或Rx；R4为H或Ry；环A为苯基或吡啶基；Rx、Ry、Ra、Rb、y和z在此定义。本发明还涉及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；或作为这些化合物的前药。
• BIS(FLUOROALKYL)-1,4-BENZODIAZEPINONE COMPOUNDS AS NOTCH INHIBITORS
  申请人：Bristol-Myers Squibb Company

  公开号：EP2897945A1

  公开（公告）日：2015-07-29
• US9273014B2
  申请人：——

  公开号：US9273014B2

  公开（公告）日：2016-03-01
• [EN] BIS(FLUOROALKYL)-1,4-BENZODIAZEPINONE COMPOUNDS AS NOTCH INHIBITORS<br/>[FR] COMPOSÉS BIS(FLUOROALKYL) -1,4-BENZODIAZÉPINONES EN TANT QU'INHIBITEURS DE NOTCH
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2014047372A1

  公开（公告）日：2014-03-27

  Disclosed are compounds of Formula (I) and/or salts thereof: (I) wherein R1 is CH2CH2CF3; R2 is CH2CH2CF3 or CH2CH2CH2CF3; R3 is H, CH3, or Rx; R4 is H or Ry; Ring A is phenyl or pyridinyl; and Rx, Ry, 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; or as prodrugs of such compounds.