4-(4'-ethyl-biphenyl-4-yl)-4-oxo-butyric acid | 101790-09-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-(4'-ethyl-biphenyl-4-yl)-4-oxo-butyric acid
• 英文别名: 4-(4'-Aethyl-biphenyl-4-yl)-4-oxo-buttersaeure；4-[4-(4-Ethylphenyl)phenyl]-4-oxobutanoic acid
• CAS: 101790-09-4
• 化学式: C₁₈H₁₈O₃
• 分子量: 282.339
• InChiKey: ZHFADBJSVNMMDS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  21
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  54.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-(4'-ethyl-biphenyl-4-yl)-4-oxo-butyric acid 在 氢氧化钾 、 一水合肼 作用下， 生成 4-(4'-ethyl-biphenyl-4-yl)-butyric acid
  参考文献：
  名称：

  Matsuda; Kikkawa, Nippon Kagaku Zasshi, 1957, vol. 78, p. 1577,1580

  摘要：

  DOI：
• 作为产物：
  描述：

  丁二酸酐 、 4-乙基联苯 在 三氯化铝 作用下， 生成 4-(4'-ethyl-biphenyl-4-yl)-4-oxo-butyric acid
  参考文献：
  名称：

  Matsuda; Kikkawa, Nippon Kagaku Zasshi, 1957, vol. 78, p. 1577,1580

  摘要：

  DOI：

文献信息

• [EN] CYCLOPHILIN D INHIBITORS AND USES THEREOF<br/>[FR] INHIBITEURS DE CYCLOPHILINE D ET LEURS UTILISATIONS
  申请人：BROAD INST INC

  公开号：WO2021119249A1

  公开（公告）日：2021-06-17

  Provided herein are compounds of Formula (I') or (I), and pharmaceutically acceptable salts, solvates, hydrates, polymorphs, co-crystals, tautomers, stereoisomers, isotopically labeled derivatives, prodrugs, and compositions thereof. Also provided are methods and kits involving the inventive compounds or compositions for treating and/or preventing diseases and/or conditions (e.g., neurological (e.g., neurodegenerative) disease (e.g., Alzheimer's disease, multiple sclerosis, Parkinson's disease, Huntington's disease), metabolic disorder (e.g., obesity, diabetes), proliferative disease (e.g., cancers), condition associated with autophagy (e.g., neurodegenerative disease, infection, cancer, condition associated with aging, heart disease), condition associated with aging, condition associated with modulating (e.g., regulating) the mPTP, cardiovascular condition (e.g., ischemia- reperfusion injury), stroke, heart attack, conditions associated with oxidative stress, mitochondrial diseases), or other diseases associated with cyclophilins) in a subject, as well as for reducing oxidative stress. Provided are methods of inhibiting a cyclophilin (e.g., CypB, CypC, CypD, CypE, CypG, CypH, Cyp40, PPWD1, PPIL1, NKTR) in a subject and/or biological sample.