6,6',7-Trimethoxy-2,2'-dimethylberbaman-12-yl acetate | 73885-53-7

• 分子结构分类: 有机化合物 - 木脂素、新木脂素和相关化合物
• 英文名称: 6,6',7-Trimethoxy-2,2'-dimethylberbaman-12-yl acetate
• 英文别名: (20,21,25-trimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaen-9-yl) acetate
• CAS: 73885-53-7
• 化学式: C₃₉H₄₂N₂O₇
• 分子量: 650.8
• InChiKey: QQHBFLLFMBTZBU-UHFFFAOYSA-N

物化性质

• 溶解度：
  溶于 DMSO (25mg/ml) 或乙醇 (25mg/ml)

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  48
• 可旋转键数：
  5
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  78.9
• 氢给体数：
  0
• 氢受体数：
  9

文献信息

• SERCA inhibitor and Calmodulin antagonist combination
  申请人：Universität des Saarlandes

  公开号：EP2796137A1

  公开（公告）日：2014-10-29

  The present invention relates to novel combinations of active ingredients for use in the prevention and/or treatment of tumors. The tumors treated by the composition according to the invention overexpress SEC62 gene and overproduce Sec62 protein. The combination of active ingredients comprises at least a SERCA inhibitor and at least a Calmodulin antagonist.

  本发明涉及用于预防和/或治疗肿瘤的新型活性成分组合。根据本发明的组合物治疗的肿瘤过度表达 SEC62 基因并过度产生 SEc62 蛋白。活性成分组合至少包括一种 SERCA 抑制剂和至少一种钙调蛋白拮抗剂。
• SERCA INHIBITOR AND CALMODULIN ANTAGONIST COMBINATION
  申请人：UNIVERSITAET DES SAARLANDES

  公开号：US20160067261A1

  公开（公告）日：2016-03-10

  The present invention relates to novel combinations of active ingredients for use in the prevention and/or treatment of tumors. The tumors treated by the composition according to the invention overexpress SEC62 gene and overproduce Sec62 protein. The combination of active ingredients comprises at least a SERCA inhibitor and at least a Calmodulin antagonist.
• [EN] SERCA INHIBITOR AND CALMODULIN ANTAGONIST COMBINATION<br/>[FR] COMBINAISON D'UN INHIBITEUR DE SERCA ET D'UN ANTAGONISTE DE CALMODULINE
  申请人：UNIV SAARLAND

  公开号：WO2014173868A1

  公开（公告）日：2014-10-30

  The present invention relates to novel combinations of active ingredients for use in the prevention and/or treatment of tumors. The tumors treated by the composition according to the invention overexpress SEC62 gene and overproduce Sec62 protein. The combination of active ingredients comprises at least a SERCA inhibitor and at least a Calmodulin antagonist.