[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] (2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoate

• 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: [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] (2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoate
• 化学式: C₃₀H₄₈O₂
• 分子量: 440.71
• InChiKey: YNBJYBZLJPOQTG-CEJSVNTQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.5
• 重原子数：
  32
• 可旋转键数：
  16
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  farnesol 在 4-二甲氨基吡啶 、 sodium chlorite 、 sodium dihydrogenphosphate 、 2-甲基-2-丁烯 、 pyridine-SO3 complex 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三乙胺 作用下， 以 二氯甲烷 、 二甲基亚砜 、 叔丁醇 为溶剂， 反应 14.5h， 生成 [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] (2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoate
  参考文献：
  名称：

  Evaluation of Morphogenic Regulatory Activity of Farnesoic acid and Its Derivatives against Candida albicans Dimorphism

  摘要：

  A series of farnesoic acid derivatives was prepared and their morphogenic regulatory activities were evaluated. Their inhibitory activities against yeast cell growth and yeast-to-hypha transition examined in Candida albicans cells are dependent upon the chain length as well as the substitution patterns on the isoprenoid template. The preliminary structure-activity relationship of these compounds is described to elucidate the essential structural requirements. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00038-0

文献信息

• NR1H4 NUCLEAR RECEPTOR BINDING COMPOUNDS
  申请人：LION bioscience AG

  公开号：EP1423113A1

  公开（公告）日：2004-06-02
• EP1423113A4
  申请人：——

  公开号：EP1423113A4

  公开（公告）日：2007-04-18
• [EN] NR1H4 NUCLEAR RECEPTOR BINDING COMPOUNDS<br/>[FR] COMPOSES DE LIAISON AU RECEPTEUR NUCLEAIRE NR1H4
  申请人：LION BIOSCIENCE AG

  公开号：WO2003015777A1

  公开（公告）日：2003-02-27

  The present invention relates to compounds according to the general formula (I) which bind to the NR1H4 receptor and act as agonists of the NR1H4 receptor. The invention further relates to the treatment of diseases and/or conditions through binding of the nuclear receptor by the compounds and the production of medicaments using the compounds.