methyl (E)-6-[6-(2-ethoxy-2-oxoethoxy)-4-(2-methoxyethoxymethoxy)-7-methyl-3-oxo-1H-2-benzofuran-5-yl]-4-methylhex-4-enoate | 948857-06-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: methyl (E)-6-[6-(2-ethoxy-2-oxoethoxy)-4-(2-methoxyethoxymethoxy)-7-methyl-3-oxo-1H-2-benzofuran-5-yl]-4-methylhex-4-enoate
• CAS: 948857-06-5
• 化学式: C₂₅H₃₄O₁₀
• 分子量: 494.539
• InChiKey: LWSWIUMKRBQIJH-FRKPEAEDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  35
• 可旋转键数：
  17
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  116
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  methyl (E)-6-[6-(2-ethoxy-2-oxoethoxy)-4-(2-methoxyethoxymethoxy)-7-methyl-3-oxo-1H-2-benzofuran-5-yl]-4-methylhex-4-enoate 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 12.0h， 以61%的产率得到methyl (E)-6-[6-(2-ethoxy-2-oxoethoxy)-4-hydroxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl]-4-methylhex-4-enoate
  参考文献：
  名称：

  Mycophenolic acid as a latent agonist of PPARγ

  摘要：

  Mycophenolic acid (MPA), known as an inhibitor of inosine monophosphate dehydrogenase (IMPDH), was found to inhibit the differentiation of 3T3-L1 pre-adipocytes into mature adipocytes. Although the effect of MPA was attributed to inhibition of IMPDH, we uncovered a hidden biological property of MPA as an agonist of peroxisome proliferator activated receptor gamma (PPAR gamma). (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.06.059
• 作为产物：
  描述：

  霉酚酸 在 吡啶 、 2,3,5-三甲基吡啶 、 sodium hydride 、 对甲苯磺酸 、 lithium iodide 作用下， 以 四氢呋喃 为溶剂， 反应 36.0h， 生成 methyl (E)-6-[6-(2-ethoxy-2-oxoethoxy)-4-(2-methoxyethoxymethoxy)-7-methyl-3-oxo-1H-2-benzofuran-5-yl]-4-methylhex-4-enoate
  参考文献：
  名称：

  Mycophenolic acid as a latent agonist of PPARγ

  摘要：

  Mycophenolic acid (MPA), known as an inhibitor of inosine monophosphate dehydrogenase (IMPDH), was found to inhibit the differentiation of 3T3-L1 pre-adipocytes into mature adipocytes. Although the effect of MPA was attributed to inhibition of IMPDH, we uncovered a hidden biological property of MPA as an agonist of peroxisome proliferator activated receptor gamma (PPAR gamma). (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.06.059