leubethanol 6-bromohexyl ether | 1384113-76-1

• 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: leubethanol 6-bromohexyl ether
• 英文别名: (1S,4R)-5-(6-bromohexoxy)-4,7-dimethyl-1-[(2S)-6-methylhept-5-en-2-yl]-1,2,3,4-tetrahydronaphthalene
• CAS: 1384113-76-1
• 化学式: C₂₆H₄₁BrO
• 分子量: 449.515
• InChiKey: HJOXCGJACKDHMQ-ZRBLBEILSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.2
• 重原子数：
  28
• 可旋转键数：
  11
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  1,6-二溴己烷 、 (-)-leubethanol 在 sodium hydride 作用下， 以 丙酮 为溶剂， 反应 6.5h， 以27%的产率得到leubethanol 6-bromohexyl ether
  参考文献：
  名称：

  Synthesis of Leubethanol derivatives and evaluation against Mycobacterium tuberculosis

  摘要：

  Twenty-five derivatives of the natural diterpene leubethanol, including several potential pro-drugs, with changes in the functionality of the aliphatic chain or modifications of the phenolic group, were synthesized and tested in vitro by the MABA technique for their activity against the H37Rv strain of Mycobacterium tuberculosis. Several compounds showed antimycobacterial potencies similar to that of the lead compound and two of them displayed higher selectivity indexes. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2012.04.059

文献信息

• Synthesis of Leubethanol derivatives and evaluation against Mycobacterium tuberculosis
  作者：Jonathan Perez-Meseguer、Esther del Olmo、Blanca Alanis-Garza、Ricardo Escarcena、Elvira Garza-González、Ricardo Salazar-Aranda、Arturo San Feliciano、Noemí Waksman de Torres

  DOI：10.1016/j.bmc.2012.04.059

  日期：2012.7

  Twenty-five derivatives of the natural diterpene leubethanol, including several potential pro-drugs, with changes in the functionality of the aliphatic chain or modifications of the phenolic group, were synthesized and tested in vitro by the MABA technique for their activity against the H37Rv strain of Mycobacterium tuberculosis. Several compounds showed antimycobacterial potencies similar to that of the lead compound and two of them displayed higher selectivity indexes. (C) 2012 Elsevier Ltd. All rights reserved.