N-(cyclopropylmethyl)-N-[(3S)-9-cyclopropyloxy-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]-2-(3,3,3-trifluoropropyl)butanediamide

• 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: N-(cyclopropylmethyl)-N-[(3S)-9-cyclopropyloxy-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]-2-(3,3,3-trifluoropropyl)butanediamide
• 化学式: C₂₉H₃₁F₃N₄O₄
• 分子量: 556.6
• InChiKey: BGERJJMPKCCKCI-SYCQMTRVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  40
• 可旋转键数：
  11
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  114
• 氢给体数：
  2
• 氢受体数：
  8

文献信息

• [EN] ALKYL, FLUOROALKYL-1,4-BENZODIAZEPINONE COMPOUNDS<br/>[FR] COMPOSÉS ALKYL, FLUOROALKYL-1,4-BENZODIAZÉPINONES
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2014047374A1

  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 CH2(cyclopropyl), CH(CH3)(cyclopropyl), or CH2CH2CH3; R3 is H, CH3, or Rx; R4 is H or Ry; and Rx, Ry, Ra, Rb, Rc, 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. The compounds of Formula (I) also include prodrugs of the Notch inhibitor compounds.

  公开的是Formula (I)的化合物和/或其盐：其中：R1为CH2CH2CF3；R2为CH2（环丙基）、CH（CH3）（环丙基）或CH2CH2CH3；R3为H、CH3或Rx；R4为H或Ry；Rx、Ry、Ra、Rb、Rc、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，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疾病的进展方面非常有用，如癌症。Formula (I)的化合物还包括Notch抑制剂化合物的前药。
• ALKYL, FLUOROALKYL-1,4-BENZODIAZEPINONE COMPOUNDS
  申请人：Bristol-Myers Squibb Company

  公开号：EP2897947A1

  公开（公告）日：2015-07-29