3-[4-(3,7,11-Trimethyldodeca-2,6,10-trienoxy)phenyl]prop-2-enoic acid | 126269-88-3

• 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: 3-[4-(3,7,11-Trimethyldodeca-2,6,10-trienoxy)phenyl]prop-2-enoic acid
• CAS: 126269-88-3
• 化学式: C₂₄H₃₂O₃
• 分子量: 368.516
• InChiKey: YHWRJXFNRKNQQV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.1
• 重原子数：
  27
• 可旋转键数：
  11
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N-乙酰基半胱胺 、 3-[4-(3,7,11-Trimethyldodeca-2,6,10-trienoxy)phenyl]prop-2-enoic acid 在 4-二甲氨基吡啶 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 反应 24.0h， 生成 S-(2-acetamidoethyl) 3-[4-(3,7,11-trimethyldodeca-2,6,10-trienoxy)phenyl]prop-2-enethioate
  参考文献：
  名称：

  Synthesis and evaluation of a novel series of pseudo-cinnamic derivatives as antituberculosis agents

  摘要：

  In an effort to develop potent new antituberculous drugs effective against Mycobacterium tuberculosis, we have prepared series of cinnamic derivatives (thioesters and amides) with 4-hydroxy and 4-alkoxy groups and investigated the in vitro activities of these compounds. Among them some displayed a good in vitro antibacterial activity, such as (E)-N-(2-acetamidoethyl)-3-{4-[(E)-3,7-dimethylocta-2,6-dienyloxy]phenyl} acrylamide 4b that showed a minimum inhibitory concentration of 0.1 mu g/mL (0.26 mu M) against M. tuberculosis H37Rv. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.11.082
• 作为产物：
  描述：

  Methyl 3-[4-(3,7,11-trimethyldodeca-2,6,10-trienoxy)phenyl]prop-2-enoate 在 potassium carbonate 作用下， 以 甲醇 为溶剂， 以100%的产率得到3-[4-(3,7,11-Trimethyldodeca-2,6,10-trienoxy)phenyl]prop-2-enoic acid
  参考文献：
  名称：

  Synthesis and evaluation of a novel series of pseudo-cinnamic derivatives as antituberculosis agents

  摘要：

  In an effort to develop potent new antituberculous drugs effective against Mycobacterium tuberculosis, we have prepared series of cinnamic derivatives (thioesters and amides) with 4-hydroxy and 4-alkoxy groups and investigated the in vitro activities of these compounds. Among them some displayed a good in vitro antibacterial activity, such as (E)-N-(2-acetamidoethyl)-3-{4-[(E)-3,7-dimethylocta-2,6-dienyloxy]phenyl} acrylamide 4b that showed a minimum inhibitory concentration of 0.1 mu g/mL (0.26 mu M) against M. tuberculosis H37Rv. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.11.082

文献信息

• Synthesis and evaluation of a novel series of pseudo-cinnamic derivatives as antituberculosis agents
  作者：Georges Koumba Yoya、Florence Bedos-Belval、Patricia Constant、Hubert Duran、Mamadou Daffé、Michel Baltas

  DOI：10.1016/j.bmcl.2008.11.082

  日期：2009.1

  In an effort to develop potent new antituberculous drugs effective against Mycobacterium tuberculosis, we have prepared series of cinnamic derivatives (thioesters and amides) with 4-hydroxy and 4-alkoxy groups and investigated the in vitro activities of these compounds. Among them some displayed a good in vitro antibacterial activity, such as (E)-N-(2-acetamidoethyl)-3-4-[(E)-3,7-dimethylocta-2,6-dienyloxy]phenyl} acrylamide 4b that showed a minimum inhibitory concentration of 0.1 mu g/mL (0.26 mu M) against M. tuberculosis H37Rv. (C) 2008 Elsevier Ltd. All rights reserved.