3-[(8R,11S,14S,17R,20S,23S,26S,30R,33S)-8-butyl-14,20,23-tris[3-(diaminomethylideneamino)propyl]-11-[(4-fluorophenyl)methyl]-4,4-dimethyl-17-(naphthalen-2-ylmethyl)-2,3,7,10,13,16,19,22,25,28,32-undecaoxo-30-(2-phenylethyl)-6-oxa-1,9,12,15,18,21,24,27,31-nonazabicyclo[31.4.0]heptatriacontan-26-yl]propanamide

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 肽模拟物
• 英文名称: 3-[(8R,11S,14S,17R,20S,23S,26S,30R,33S)-8-butyl-14,20,23-tris[3-(diaminomethylideneamino)propyl]-11-[(4-fluorophenyl)methyl]-4,4-dimethyl-17-(naphthalen-2-ylmethyl)-2,3,7,10,13,16,19,22,25,28,32-undecaoxo-30-(2-phenylethyl)-6-oxa-1,9,12,15,18,21,24,27,31-nonazabicyclo[31.4.0]heptatriacontan-26-yl]propanamide
• 化学式: C₇₄H₁₀₄FN₁₉O₁₃
• 分子量: 1486.7
• InChiKey: MHVHZGCFYPNWOB-ZRRDKFOQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  107
• 可旋转键数：
  25
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  533
• 氢给体数：
  15
• 氢受体数：
  17

文献信息

• Small molecule Ras inhibitors
  申请人：Briesewitz Roger

  公开号：US10736932B2

  公开（公告）日：2020-08-11

  Disclosed herein are novel compounds that are Ras inhibitors. Also disclosed are compositions comprising the compounds and methods of using the compounds in treating various diseases. In another aspect, provided is an antibody-drug-conjugate comprising an antibody conjugated with a compound described herein. In still another aspect, provided is a pharmaceutical composition comprising a compound or antibody-drug-conjugate described herein. In a further aspect, provided is method of treating a cancer comprising administering a therapeutically effective amount of a compound or antibody-drug-conjugate described herein to a patient in need thereof.

  本文公开了作为 Ras 抑制剂的新型化合物。还公开了包含这些化合物的组合物以及使用这些化合物治疗各种疾病的方法。在另一个方面，提供了一种抗体-药物-结合物，其包含与本文所述化合物共轭的抗体。还有一方面，提供了一种药物组合物，包含本文所述的化合物或抗体-药物-轭合物。在另一个方面，提供了治疗癌症的方法，包括向有需要的患者施用治疗有效量的本文所述化合物或抗体-药物-结合物。
• SMALL MOLECULE RAS INHIBITORS
  申请人：Briesewitz Roger

  公开号：US20170304383A1

  公开（公告）日：2017-10-26

  Disclosed herein are novel compounds that are Ras inhibitors. Also disclosed are compositions comprising the compounds and methods of using the compounds in treating various diseases. In another aspect, provided is an antibody-drug-conjugate comprising an antibody conjugated with a compound described herein. In still another aspect, provided is a pharmaceutical composition comprising a compound or antibody-drug-conjugate described herein. In a further aspect, provided is method of treating a cancer comprising administering a therapeutically effective amount of a compound or antibody-drug-conjugate described herein to a patient in need thereof.