(4S,7E,10S,13E,16R)-16-(1,2-dimethylbenzimidazol-5-yl)-4,10-dimethyl-1,5,11-trioxacyclohexadeca-7,13-diene-2,6,9,12-tetrone | 1210399-25-9

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 大环内酯类和类似物
• 英文名称: (4S,7E,10S,13E,16R)-16-(1,2-dimethylbenzimidazol-5-yl)-4,10-dimethyl-1,5,11-trioxacyclohexadeca-7,13-diene-2,6,9,12-tetrone
• CAS: 1210399-25-9
• 化学式: C₂₄H₂₆N₂O₇
• 分子量: 454.48
• InChiKey: GXMMNZXHZLGATC-LYKDIXGISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  33
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  114
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  (4S,7E,9R,10S,13E,16R)-16-(1,2-dimethylbenzimidazol-5-yl)-9-hydroxy-4,10-dimethyl-1,5,11-trioxacyclohexadeca-7,13-diene-2,6,12-trione 在 戴斯-马丁氧化剂 作用下， 以 二氯甲烷 为溶剂， 以75%的产率得到(4S,7E,10S,13E,16R)-16-(1,2-dimethylbenzimidazol-5-yl)-4,10-dimethyl-1,5,11-trioxacyclohexadeca-7,13-diene-2,6,9,12-tetrone
  参考文献：
  名称：

  Synthesis of Macrosphelides Containing a Heterocyclic Side Chain as a Novel Apoptosis Inducer

  摘要：

  Synthesis of macrosphelides containing a pyridyl or benzimidazolyl side chain is described. The synthesis was accomplished through sequential assembling of suitable chiral blocks and ring-closing metathesis (RCM) with a high efficiency. These novel derivatives were evaluated on the apoptosis-inducing activity against human lymphoma cells.

  DOI：

  10.3987/com-09-s(s)82