3-(carboxymethyl)-1,1-dimethyl-3-(5-phenethylfuran-2-carboxamido)piperidinium 2,2,2-trifluoroacetate | 1111202-13-1

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 3-(carboxymethyl)-1,1-dimethyl-3-(5-phenethylfuran-2-carboxamido)piperidinium 2,2,2-trifluoroacetate
• 英文别名: 2-[1,1-Dimethyl-3-[[5-(2-phenylethyl)furan-2-carbonyl]amino]piperidin-1-ium-3-yl]acetic acid;2,2,2-trifluoroacetate
• CAS: 1111202-13-1
• 化学式: C₂F₃O₂*C₂₂H₂₉N₂O₄
• 分子量: 498.499
• InChiKey: UTFPADWCSWIPPP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.18
• 重原子数：
  35
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  120
• 氢给体数：
  2
• 氢受体数：
  9

文献信息

• CYCLIC INHIBITORS OF CARNITINE PALMITOYLTRANSFERASE AND TREATING CANCER
  申请人：Pauls Heinz W.

  公开号：US20110015174A1

  公开（公告）日：2011-01-20

  A CPT1 inhibitor compound is represented by Structural Formula (I) or a pharmaceutically acceptable salt thereof: or a pharmaceutically acceptable salt thereof. A pharmaceutical composition comprises a compound represented by Structural Formula (I) or a pharmaceutically acceptable salt thereof. A method of treating a subject having cancer comprises administering to the subject a therapeutically effective amount of a compound represented by Structural Formula (I) or a pharmaceutically acceptable salt thereof.

  一种CPT1抑制剂化合物的结构式(I)或其药学上可接受的盐被表示：或其药学上可接受的盐。一种药物组合物包括一种由结构式(I)或其药学上可接受的盐所表示的化合物。一种治疗患有癌症的受试者的方法包括向受试者施用由结构式(I)或其药学上可接受的盐所表示的治疗有效量的化合物。
• US8680282B2
  申请人：——

  公开号：US8680282B2

  公开（公告）日：2014-03-25
• [EN] CYCLIC INHIBITORS OF CARNITINE PALMITOYLTRANSFERASE AND TREATING CANCER<br/>[FR] INHIBITEURS CYCLIQUES DE LA CARNITINE PALMITOYLTRANSFÉRASE ET TRAITEMENT ANTICANCÉREUX
  申请人：UNIV HEALTH NETWORK

  公开号：WO2009015485A1

  公开（公告）日：2009-02-05

  A CPTl inhibitor compound is represented by Structural Formula (I) or a pharmaceutically acceptable salt thereof: or a pharmaceutically acceptable salt thereof. A pharmaceutical composition comprises a compound represented by Structural Formula (I) or a pharmaceutically acceptable salt thereof. A method of treating a subject having cancer comprises administering to the subject a therapeutically effective amount of a compound represented by Structural Formula (I) or a pharmaceutically acceptable salt thereof.