(E)-5,5,7,8,9,9-hexamethyldec-3-ene-2,6-dione

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (E)-5,5,7,8,9,9-hexamethyldec-3-ene-2,6-dione
• 化学式: C₁₆H₂₈O₂
• 分子量: 252.39
• InChiKey: NNVPEWKPVCJIBE-MDZDMXLPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  18
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

文献信息

• BIOLOGICALLY ACTIVE MACROLIDES, COMPOSITIONS, AND USES THEREOF
  申请人：The United States of America, as represented by the Secretary, Department of Health and Human Serv

  公开号：US20140243284A1

  公开（公告）日：2014-08-28

  The present invention provides a compound of the formula (I) or (II), wherein R 1 is H, alkyl, alkenyl or aryl, R 2 is H, alkyl or aryl, R 3 is H, a alkyl, alkenyl or aryl, R 4 and R 4 -R 8 are independently R 10 , C(O)R 10 or SO 2 R 10 , wherein R 10 is H, alkyl, alkenyl or aryl, and R 9 is R 9a , C(O)R 9a or SO 2 R 9a , wherein R 9a is H, alkyl, alkenyl or aryl. R 9a can be unsubstituted or substituted with one or more oxo(═O), OR 9b , OC(O)R 9b , OSO 2 R 9b , NHR 9b , NHC(O)R 9b and NHSO 2 R 9b groups. R 9b is H, alkyl, alkenyl, or aryl. R 9b can be unsubstituted or substituted with one or more groups such as oxo(═O), OR 9c , CO 2 R 9c , CO 2 R 9c and OC(O)R 9c . R 9c is H, or a unsubstituted or substituted alkyl, alkenyl or aryl. The present invention further provides a composition comprising at least one compound of the present invention and a pharmaceutically acceptable carrier, alone or in combination with at least one additional active agent. The present invention further provides a method of treating a condition treatable by the inhibition of vacuolar-type (H+)-ATPase and a method of treating cancer.

  本发明提供了公式(I)或(II)的化合物，其中R1为H、烷基、烯基或芳基，R2为H、烷基或芳基，R3为H、烷基、烯基或芳基，R4和R4-R8独立地为R10、C(O)R10或SO2R10，其中R10为H、烷基、烯基或芳基，R9为R9a、C(O)R9a或SO2R9a，其中R9a为H、烷基、烯基或芳基。R9a可以是未取代或取代的，其中取代基为氧代(═O)、OR9b、OC(O)R9b、OSO2R9b、NHR9b、NHC(O)R9b和NHSO2R9b。R9b为H、烷基、烯基或芳基。R9b可以是未取代或取代的，其中取代基为氧代(═O)、OR9c、CO2R9c、CO2R9c和OC(O)R9c。R9c为H或未取代或取代的烷基、烯基或芳基。本发明还提供了包含本发明至少一种化合物和药学上可接受的载体的组合物，单独或与至少一种其他活性剂组合使用的方法。本发明还提供了一种治疗可通过抑制液泡型(H+)-ATP酶和一种治疗癌症的方法。
• US9139595B2
  申请人：——

  公开号：US9139595B2

  公开（公告）日：2015-09-22