[7-(2-methoxyethoxymethoxy)-6-[(E)-6-methoxy-3-methyl-6-oxohex-2-enyl]-4-methyl-1-oxo-3H-2-benzofuran-5-yl] pyridine-3-carboxylate | 948857-02-1

• 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: [7-(2-methoxyethoxymethoxy)-6-[(E)-6-methoxy-3-methyl-6-oxohex-2-enyl]-4-methyl-1-oxo-3H-2-benzofuran-5-yl] pyridine-3-carboxylate
• CAS: 948857-02-1
• 化学式: C₂₇H₃₁NO₉
• 分子量: 513.544
• InChiKey: VRFAVOZOMFIVDW-REZTVBANSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  37
• 可旋转键数：
  15
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  120
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  [7-(2-methoxyethoxymethoxy)-6-[(E)-6-methoxy-3-methyl-6-oxohex-2-enyl]-4-methyl-1-oxo-3H-2-benzofuran-5-yl] pyridine-3-carboxylate 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 12.0h， 以83%的产率得到5-O-Nicotinoyl-mycophenolic acid
  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 40.0h， 生成 [7-(2-methoxyethoxymethoxy)-6-[(E)-6-methoxy-3-methyl-6-oxohex-2-enyl]-4-methyl-1-oxo-3H-2-benzofuran-5-yl] pyridine-3-carboxylate
  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.