Retinoic-11-t acid | 77096-84-5

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: Retinoic-11-t acid
• 英文别名: (2E,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)-5-tritionona-2,4,6,8-tetraenoic acid
• CAS: 77096-84-5
• 化学式: C20H28O2
• 分子量: 302.4
• InChiKey: SHGAZHPCJJPHSC-JCPZVJOKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

文献信息

• [EN] METHODS AND COMPOSITIONS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS<br/>[FR] MÉTHODES ET COMPOSITIONS POUR LE TRAITEMENT DE TROUBLES PROLIFÉRATIFS
  申请人：BETH ISRAEL HOSPITAL

  公开号：WO2012125724A1

  公开（公告）日：2012-09-20

  The invention features methods of treating a proliferative disorder characterized by elevated Pinl marker levels and/or reduced Pinl Ser71 phosphorylation in a subject by administering a retinoic acid compound. Additionally, the invention features methods of treating proliferative disorders (e.g., proliferative disorders characterized by elevated Pinl marker levels) by administering a retinoic acid compound in combination with another anti-proliferative compound. Finally, the invention also features methods including high-throughput screens for discovering and validating Pinl inhibitors.
• [EN] ENHANCED ATRA-RELATED COMPOUNDS DERIVED FROM STRUCTURE-ACTIVITY RELATIONSHIPS AND MODELING FOR INHIBITING PIN1<br/>[FR] DÉRIVÉS PERFECTIONNÉS DE COMPOSÉS APPARENTÉS À L'ATRA À PARTIR DE RELATIONS STRUCTURE-ACTIVITÉ ET MODÉLISATION D'INHIBITION DE PIN1
  申请人：BETH ISRAEL HOSPITAL

  公开号：WO2015143190A1

  公开（公告）日：2015-09-24

  The invention features all-trans retinoic acid (ATRA)-related compounds capable of associating with Pin1 and methods of identifying the same. The invention also provides methods of treating a condition selected from the group consisting of a proliferative disorder, an autoimmune disease, and an addiction condition characterized by elevated Pin1 marker levels, Pin1 degradation, and/or reduced Pin1 Ser71 phosphorylation in a subject by administering a retinoic acid compound. Additionally, the invention features methods of treating proliferative disorders, autoimmune diseases, and addiction conditions (e.g., diseases, disorders, and conditions characterized by elevated Pin1 marker levels) by administering a retinoic acid compound in combination with another therapeutic compound. The invention also features a co-crystal including Pin1 and a retinoic acid compound. Finally, the invention also provides methods of developing and identifying enhanced Pin1 -targeted ATRA-related compounds based on the newly defined unique binding pockets in the Pin1 active site revealed from the co-crystal structure, structure-activity relationship, and structural modeling.