2-[[2-[[(3,5-dimethylphenyl)-oxomethyl]-methylamino]-1-oxo-3-(4-phenylphenyl)propyl]amino]-3-(1H-indol-3-yl)propanoic 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: 2-[[2-[[(3,5-dimethylphenyl)-oxomethyl]-methylamino]-1-oxo-3-(4-phenylphenyl)propyl]amino]-3-(1H-indol-3-yl)propanoic acid
• 英文别名: 2-[[2-[(3,5-dimethylbenzoyl)-methylamino]-3-(4-phenylphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
• 化学式: C₃₆H₃₅N₃O₄
• 分子量: 573.7
• InChiKey: UZDORQWMYRRLQV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  43
• 可旋转键数：
  10
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  103
• 氢给体数：
  3
• 氢受体数：
  4

文献信息

• BISAMIDE COMPOUNDS AS ALLOSTERIC EFFECTORS FOR REDUCING THE OXYGEN-BINDING AFFINITY OF HEMOGLOBIN
  申请人：THE GENERAL HOSPITAL CORPORATION

  公开号：US20160331783A1

  公开（公告）日：2016-11-17

  This invention relates to compounds of Formula (I) and pharmaceutically acceptable salts thereof, which are allosteric effectors that reduce the oxygen-binding affinity of hemoglobin, which can enhance the efficacy of radiation therapy for cancer and which are useful for the treatment of ischemia and other conditions.

  本发明涉及式（I）化合物及其药学上可接受的盐，这些化合物是变构效应剂，可以降低血红蛋白的氧结合亲和力，从而增强癌症放疗的疗效，对缺血和其他疾病的治疗也有用。
• ETBR ANTAGONIST COMPOUNDS, COMPOSITIONS, AND USES
  申请人：ENB Therapeutics, Inc.

  公开号：EP3746110A1

  公开（公告）日：2020-12-09
• [EN] ETBR ANTAGONIST COMPOUNDS, COMPOSITIONS, AND USES<br/>[FR] COMPOSÉS ANTAGONISTES D'ETBR, COMPOSITIONS ET UTILISATIONS
  申请人：ENB THERAPEUTICS INC

  公开号：WO2019191721A1

  公开（公告）日：2019-10-03

  Disclosed herein are ETBR antagonist compounds, pharmaceutical compositions thereof, methods for treating cancers, and methods of forming tertiary lymphoid organs.