5-methoxyisochromane-1-carboxylic acid

• 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: 5-methoxyisochromane-1-carboxylic acid
• 英文别名: 5-methoxyisochroman-1-carboxylic acid；3,4-Dihydro-5-methoxy-1H-2-benzopyran-1-carboxylic acid；5-methoxy-3,4-dihydro-1H-isochromene-1-carboxylic acid
• 化学式: C₁₁H₁₂O₄
• 分子量: 208.214
• InChiKey: UGMOOEZNAKFMDK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  55.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  5-methoxyisochromane-1-carboxylic acid 在 盐酸 作用下， 以 乙醇 、 甲苯 为溶剂， 反应 3.0h， 生成 ethyl 5-methoxyisochroman-1-carboxylate
  参考文献：
  名称：

  WO2019106238A5

  摘要：

  公开号：

  WO2019106238A5
• 作为产物：
  描述：

  1-(2-甲氧基苯基)乙醇 在 aluminum (III) chloride 、 水 、 sodium hydroxide 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 、 甲苯 为溶剂， 反应 5.25h， 生成 5-methoxyisochromane-1-carboxylic acid
  参考文献：
  名称：

  Modulators of the Cystic Fibrosis Transmembrane Conductance Regulator Protein and Methods of Use

  摘要：

  本发明涉及化合物及其在囊性纤维化治疗中的应用，其生产方法，包含相同化合物的药物组合物，以及通过给予本发明化合物治疗囊性纤维化的方法。

  公开号：

  US20180244640A1

文献信息

• Modulators of the Cystic Fibrosis Transmembrane Conductance Regulator Protein and Methods of Use
  申请人：AbbVie S.à.r.l.

  公开号：US20180244640A1

  公开（公告）日：2018-08-30

  The present invention relates to compounds and their use in the treatment of cystic fibrosis, methods for their production, pharmaceutical compositions comprising the same, and methods of treating cystic fibrosis by administering a compound of the invention.

  本发明涉及化合物及其在囊性纤维化治疗中的应用，其生产方法，包含相同化合物的药物组合物，以及通过给予本发明化合物治疗囊性纤维化的方法。
• Modulators of the cystic fibrosis transmembrane conductance regulator protein and methods of use
  申请人：AbbVie S.à.r.l.

  公开号：US10428017B2

  公开（公告）日：2019-10-01

  The present invention relates to compounds and their use in the treatment of cystic fibrosis, methods for their production, pharmaceutical compositions comprising the same, and methods of treating cystic fibrosis by administering a compound of the invention.

  本发明涉及治疗囊性纤维化的化合物及其用途、生产方法、包含本发明化合物的药物组合物，以及通过施用本发明化合物治疗囊性纤维化的方法。
• Process for the preparation of 2-(5-methoxyisochroman-1-yl)-4,5-dihydro-1H-imidazole and the hydrogensulfate salt thereof
  申请人：ORION CORPORATION

  公开号：US11352346B2

  公开（公告）日：2022-06-07

  The present disclosure relates to an improved process for the preparation of isochroman structured alpha2A adrenoceptor agonist, namely 2-(5-methoxyisochroman-1-yl)-4,5-dihydro-1H-imidazole of formula (I) and a pharmaceutically acceptable salts thereof, such as 2-(5-methoxyisochroman-1-yl)-4,5-dihydro-1H-imidazole hydrogensulfate of formula (Ia), and to a novel intermediate compound used in the process, namely N-(2-aminoethyl)-5-methoxyisochroman-1-carboxamide monohydrate of formula (V). Alpha2A agonists are useful in the treatment of anxiety, and for use as a sedative or analgesic agent, and other diseases where alpha2A agonism is desired.

  本公开涉及异苯并吡喃结构的α2A肾上腺素受体激动剂，即式(I)的2-(5-甲氧基异苯并吡喃-1-基)-4,5-二氢-1H-咪唑及其药学上可接受的盐类的改进制备工艺，如式(Ia)的2-(5-甲氧基异苯并吡喃-1-基)-4,5-二氢-1H-咪唑氢硫酸盐、如式（Ia）的 2-(5-甲氧基异苯并二氢吡喃-1-基)-4,5-二氢-1H-咪唑氢硫酸盐，以及该工艺中使用的新型中间体化合物，即式（V）的 N-(2-氨基乙基)-5-甲氧基异苯并二氢吡喃-1-甲酰胺一水合物。α2A激动剂可用于治疗焦虑症、镇静或镇痛剂以及其他需要α2A激动的疾病。
• PROCESS FOR THE PREPARATION OF 2-(5-METHOXYISOCHROMAN-1 -YL)-4,5-DIHYDRO-1 H-IMIDAZOLE AND THE HYDROGENSULFATE SALT THEREOF
  申请人：ORION CORPORATION

  公开号：US20200308152A1

  公开（公告）日：2020-10-01

  The present disclosure relates to an improved process for the preparation of isochroman structured alpha2A adrenoceptor agonist, namely 2-(5-methoxyisochroman-1-yl)-4,5-dihydro-1H-imidazole of formula (I) and a pharmaceutically acceptable salts thereof, such as 2-(5-methoxyisochroman-1-yl)-4,5-dihydro-1H-imidazole hydrogensulfate of formula (Ia), and to a novel intermediate compound used in the process, namely N-(2-aminoethyl)-5-methoxyisochroman-1-carboxamide monohydrate of formula (V). Alpha2A agonists are useful in the treatment of anxiety, and for use as a sedative or analgesic agent, and other diseases where alpha2A agonism is desired.
• [EN] MODULATORS OF THE CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN AND METHODS OF USE<br/>[FR] MODULATEURS PROTÉIQUES DU RÉGULATEUR DE LA CONDUCTANCE TRANSMEMBRANAIRE DE LA FIBROSE KYSTIQUE ET PROCÉDÉS D'UTILISATION
  申请人：ABBVIE SARL

  公开号：WO2018154493A1

  公开（公告）日：2018-08-30

  The present invention relates to compounds and their use in the treatment of cystic fibrosis, methods for their production, pharmaceutical compositions comprising the same, and methods of treating cystic fibrosis by administering a compound of the invention. Other embodiments of the invention include a pharmaceutical composition comprising a therapeutically effective amount of a compound of the present invention, or a pharmaceutically acceptable salt thereof, in combination with a pharmaceutically acceptable carrier. In one aspect, the invention provides for compounds of Formula (I) (I) wherein A1 is selected from the group consisting of and R1, R2A, R2B, R2C, R2D, R3, R4, R5A, R5B, R5C, R5D, R6A, R6B, R6C, R6D, R7, R8, R9, R10, R11, R12, R13, and R14 are as defined herein.