Trifluoro-methanesulfonic acid 1,1,4,4,7-pentamethyl-isochroman-6-yl ester | 786690-11-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: Trifluoro-methanesulfonic acid 1,1,4,4,7-pentamethyl-isochroman-6-yl ester
• 英文别名: (1,1,4,4,7-pentamethyl-3H-isochromen-6-yl) trifluoromethanesulfonate
• CAS: 786690-11-7
• 化学式: C₁₅H₁₉F₃O₄S
• 分子量: 352.4
• InChiKey: XMFLPEXCIIJGQU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  23
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  61
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  Trifluoro-methanesulfonic acid 1,1,4,4,7-pentamethyl-isochroman-6-yl ester 、 三乙胺 、 甲酸 、 水 在 1,1'-双(二苯基膦)二茂铁 Argon;palladium(2+);diacetate 、 乙醚 、 水 、 Brine 、 magnesium sulfate 、 silica gel 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 4.0h， 以to give 9.14 g of 1,1,4,4,7-pentamethyl-isochroman (96%)的产率得到(9ci)-3,4-二氢-1,1,4,4,7-五甲基-1H-2-苯并吡喃
  参考文献：
  名称：

  Substituted dihydronaphthalene and isochroman compounds for the treatment of metabolic disorders, cancer and other diseases

  摘要：

  本发明涉及具有公式（I）所示结构的新型杂环化合物，其中Ar1基团是取代的二氢萘或异色满基团，Ar2基团是芳基或杂环芳基基团；HAr是2,4-噻唑烷二酮，2-硫代噻唑烷-4-酮，2,4-咪唑烷二酮或2-硫代咪唑烷-4-酮基团。公式（I）的化合物可以具有生物活性，有利于调节碳水化合物代谢，包括血清葡萄糖水平和脂质代谢，并可用于治疗高脂血症和/或高胆固醇血症以及II型糖尿病。公式（I）的化合物还可用于治疗不受控制增殖的疾病，包括癌症。

  公开号：

  US20050038098A1

文献信息

• SUBSTITUTED ISOCHROMAN COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS, CANCER AND OTHER DISEASES
  申请人：Incyte San Diego Incorporated

  公开号：EP1643993A2

  公开（公告）日：2006-04-12
• [EN] SUBSTITUTED ISOCHROMAN COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS, CANCER AND OTHER DISEASES<br/>[FR] COMPOSES ISOCHROMANE SUBSTITUES POUR LE TRAITEMENT DE TROUBLES METABOLIQUES, DU CANCER ET D'AUTRES MALADIES
  申请人：INCYTE CORP

  公开号：WO2004093809A2

  公开（公告）日：2004-11-04

  The invention relates to novel heterocyclic compounds having the structure illustrated by Formula (1) wherein the Ar1 radicals are substituted isochroman radicals, the Ar2 radicals are aryl or heteroaryl radicals; and HAr is a 2,4-thiazolidinedione, 2-thioxo-thiazolidine-4-one, 2,4-imidazolidinedione or 2-thioxo-imidazolidine-4-one radical. The compounds of Formula (1) can have biological activity for advantageously regulating carbohydrate metabolism, including serum glucose level, and lipid metabolism, and can be useful for the treatment of hyperlipidernia and/or hypercholesterolemia, and Type 11 diabetes. The compounds of Formula (1) can also have utility in the treatment of diseases of uncontrolled proliferation, including cancer.
• Substituted dihydronaphthalene and isochroman compounds for the treatment of metabolic disorders, cancer and other diseases
  申请人：Tachdjian Catherine

  公开号：US20050038098A1

  公开（公告）日：2005-02-17

  The invention relates to novel heterocyclic compounds having the structure illustrated by Formula (I) wherein the Ar 1 radicals are substituted dihydronapthalene or isochroman radicals, the Ar 2 radicals are aryl or heteroaryl radicals; and HAr is a 2,4-thiazolidinedione, 2-thioxo-thiazolidine-4-one, 2,4-imidazolidinedione or 2-thioxo-imidazolidine-4-one radical. The compounds of Formula (I) can have biological activity for advantageously regulating carbohydrate metabolism, including serum glucose level, and lipid metabolism, and can be useful for the treatment of hyperlipidemia and/or hypercholesterolemia, and Type II diabetes. The compounds of Formula (I) can also have utility in the treatment of diseases of uncontrolled proliferation, including cancer.

  本发明涉及具有公式（I）所示结构的新型杂环化合物，其中Ar1基团是取代的二氢萘或异色满基团，Ar2基团是芳基或杂环芳基基团；HAr是2,4-噻唑烷二酮，2-硫代噻唑烷-4-酮，2,4-咪唑烷二酮或2-硫代咪唑烷-4-酮基团。公式（I）的化合物可以具有生物活性，有利于调节碳水化合物代谢，包括血清葡萄糖水平和脂质代谢，并可用于治疗高脂血症和/或高胆固醇血症以及II型糖尿病。公式（I）的化合物还可用于治疗不受控制增殖的疾病，包括癌症。