methyl (E)-6-[6-hydroxy-4-(2-methoxyethoxymethoxy)-7-methyl-3-oxo-1H-2-benzofuran-5-yl]-4-methylhex-4-enoate | 948857-01-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异香豆素
• 英文名称: methyl (E)-6-[6-hydroxy-4-(2-methoxyethoxymethoxy)-7-methyl-3-oxo-1H-2-benzofuran-5-yl]-4-methylhex-4-enoate
• CAS: 948857-01-0
• 化学式: C₂₁H₂₈O₈
• 分子量: 408.449
• InChiKey: JGZAEZIKWHUNRG-WLRTZDKTSA-N

物化性质

• 沸点：
  586.6±50.0 °C(Predicted)
• 密度：
  1.216±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  29
• 可旋转键数：
  12
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  101
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  methyl (E)-6-[6-hydroxy-4-(2-methoxyethoxymethoxy)-7-methyl-3-oxo-1H-2-benzofuran-5-yl]-4-methylhex-4-enoate 在 sodium hydride 、 三氟乙酸 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 12.0h， 生成 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-hydroxy-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

文献信息

• Mycophenolic acid as a latent agonist of PPARγ
  作者：Makoto Ubukata、Hitomi Takamori、Misaki Ohashi、Shinya Mitsuhashi、Kaoru Yamashita、Tomohisa Asada、Noriyuki Nakajima、Nobuyasu Matsuura、Mie Tsuruga、Keiko Taki、Junji Magae

  DOI：10.1016/j.bmcl.2007.06.059

  日期：2007.9

  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.