(E) 6-(1,3-dihydro-4-hydroxy-7-methyl-3-oxo-6-vinylisobenzofuran-5-yl)-4-methyl-4-hexenoic acid

• 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: (E) 6-(1,3-dihydro-4-hydroxy-7-methyl-3-oxo-6-vinylisobenzofuran-5-yl)-4-methyl-4-hexenoic acid
• 英文别名: (E)-6-(4-Hydroxy-7-methyl-3-oxo-6-vinyl-1,3-dihydro-isobenzofuran-5-yl)-4-methyl-hex-4-enoic acid；(E)-6-(6-ethenyl-4-hydroxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoic acid
• 化学式: C₁₈H₂₀O₅
• 分子量: 316.354
• InChiKey: RIORYHYFHNYXHO-BJMVGYQFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  23
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  83.8
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  methyl (E) 6-(1,3-dihydro-7-methyl-3-oxo-4-p-toluenesulfonyloxy-6-trifluoromethanesulfonyloxy-isobenzofuran-5-yl)-4-methyl-4-hexenoate 在 N-甲基吡咯烷酮 、 tris(dibenzylideneacetone)dipalladium(0) chloroform complex 、 lithium hydroxide 、 三苯胂 、 水 、 lithium chloride 作用下， 以 甲醇 为溶剂， 反应 20.0h， 生成 (E) 6-(1,3-dihydro-4-hydroxy-7-methyl-3-oxo-6-vinylisobenzofuran-5-yl)-4-methyl-4-hexenoic acid
  参考文献：
  名称：

  Structure−Activity Relationships for Inhibition of Inosine Monophosphate Dehydrogenase by Nuclear Variants of Mycophenolic Acid

  摘要：

  Structure-activity relationships in the region of the phthalide ring of the inosine monophosphate dehydrogenase inhibitor mycophenolic acid have been explored. Replacement of the lactone ring with other cyclic moieties resulted in loss of potency, especially for larger groups. Replacement of the ring by acyclic substituents also indicated a strong sensitivity to steric bulk. A phenolic hydroxyl group, with an adjacent hydrogen bond acceptor, was found to be essential for high potency. The aromatic methyl group was essential for activity; the methoxyl group could be replaced by ethyl to give a compound with 2-4 times the potency of mycophenolic acid in vitro and in vivo.

  DOI：

  10.1021/jm9603633

文献信息

• 6-substituted mycophenolic acid and derivatives
  申请人：Syntex (U.S.A.) Inc.

  公开号：US05444072A1

  公开（公告）日：1995-08-22

  The disclosed 6-substituted derivatives of mycophenolic acid are therapeutic agents advantageous in the treatment of disease states indicated for mycophenolic acid and/or mycophenolate mofetil.

  所披露的6-取代衍生物是治疗剂，在治疗适用于麦考酚酸和/或麦考酚酯酶的疾病状态中具有优势。
• Method of using 4-amino 6-substituted mycophenolic acid and derivatives
  申请人：Syntex (U.S.A.) Inc.

  公开号：US05525602A1

  公开（公告）日：1996-06-11

  The disclosed derivatives of mycophenolic acid are therapeutic agents advantageous in the treatment of disease states indicated for mycophenolic acid and/or mycophenolate mofetil and other immunosuppressant agents.

  所披露的霉酚酸衍生物是治疗疾病状态中的治疗剂，适用于霉酚酸和/或麻酮酯酸酯以及其他免疫抑制剂。
• CLEANING SOLVENT COMPOSITION AND METHOD OF CLEANING OR DRYING ARTICLE
  申请人：DAIKIN INDUSTRIES, LIMITED

  公开号：EP0670365A1

  公开（公告）日：1995-09-06

  A cleaning solvent composition comprising at least one member selected from the group consisting of 1H,2H/-hexafluorocyclobutane, 1,2,2,3,3-pentafluorocyclobutane, 1,2,2,3,3,4,4,5,5-nonafluorocyclopentane, 1H/2H-octafluorocyclopentane, 1H,2H/-octafluorocyclopentane, 1H/3H-octafluorocyclopentane, 1H,4H,2H/-heptafluorocyclopentane, 1H,2H/4H-heptafluorocyclopentane, 1H,2H,4H/-heptafluorocyclopentane, 1H,3H/2H-heptafluorocyclopentane, 1H,2H/3H-heptafluorocyclopentane and 1H,2H/3H-heptafluorocyclopentane group; a method of cleaning or drying articles with the same; and use thereof as a detergent.

  一种清洁溶剂组合物，它包含至少一种选自以下组别的成员：1H,2H/六氟环丁烷、1,2,2,3,3-五氟环丁烷、1,2,2,3,3,4,4,5,5-九氟环戊烷、1H/2H-八氟环戊烷、1H,2H/八氟环戊烷、1H/3H-八氟环戊烷、1H,4H,2H/七氟环戊烷、1H,2H/4H-七氟环戊烷、1H/3H-八氟环戊烷、1H,4H,2H/七氟环戊烷、1H,2H/4H-七氟环戊烷、1H,2H,4H/七氟环戊烷、1H,3H/2H-七氟环戊烷、1H,2H/3H-七氟环戊烷和 1H,2H/3H-七氟环戊烷组；用其清洗或干燥物品的方法；以及将其用作洗涤剂。
• [EN] CLEANING SOLVENT COMPOSITION AND METHOD OF CLEANING OR DRYING ARTICLE<br/>[FR] COMPOSITION DE SOLVANT DE NETTOYAGE ET PROCEDE POUR NETTOYER OU SECHER UN ARTICLE
  申请人：DAIKIN INDUSTRIES, LTD.

  公开号：WO1995005448A1

  公开（公告）日：1995-02-23

  (EN) A cleaning solvent composition comprising at least one member selected from the group consisting of 1H,2H/-hexafluorocyclobutane, 1,2,2,3,3-pentafluorocyclobutane, 1,2,2,3,3,4,4,5,5-nonafluorocyclopentane, 1H/2H-octafluorocyclopentane, 1H,2H/-octafluorocyclopentane, 1H/3H-octafluorocyclopentane, 1H,4H,2H/-heptafluorocyclopentane, 1H,2H/4H-heptafluorocyclopentane, 1H,2H,4H/-heptafluorocyclopentane, 1H,3H/2H-heptafluorocyclopentane, 1H,2H/3H-heptafluorocyclopentane and 1H,2H/3H-heptafluorocyclopentane group; a method of cleaning or drying articles with the same; and use thereof as a detergent.(FR) Sont décrit une composition de solvant de nettoyage comprenant au moins un élément sélectionné dans le groupe composé de 1H,2H/hexafluorocyclobutane, 1,2,2,3,3-pentafluorocyclobutane, 1,2,2,3,3,4,4,5,5-nonafluorocyclopentane, 1H/2H-octafluorocyclopentane, 1H,2H/-octafluorocyclopentane, 1H/3H-octafluorocyclopentane, 1H,4H,2H/-heptafluorocyclopentane, 1H,2H/4H-heptafluorocyclopentane, 1H,2H,4H/-heptafluorocyclopentane, 1H,3H/2H-heptafluorocyclopentane, 1H,2H/3H-heptafluorocyclopentane et un groupe 1H,2H/3H-heptafluorocyclopentane; ainsi qu'un procédé de nettoyage ou de séchage d'articles avec ladite composition, et son utilisation comme détergent.

  一种清洁溶剂组合物，包含至少选自以下化合物之一的组分：1H,2H-六氟环丁烷、1,2,2,3,3-五氟环丁烷、1,2,2,3,3,4,4,5,5-九氟环戊烷、1H/2H-八氟环戊烷、1H,2H-/八氟环戊烷、1H/3H-八氟环戊烷、1H,4H,2H-/七氟环戊烷、1H,2H/4H-七氟环戊烷、1H,2H,4H-/七氟环戊烷、1H,3H/2H-七氟环戊烷和1H,2H/3H-七氟环戊烷；使用该组合物清洁或干燥物品的方法；以及将其用作洗涤剂的用途。
• EP0670365A4
  申请人：——

  公开号：EP0670365A4

  公开（公告）日：1999-02-10