3-isopropoxy-5-(methoxycarbonyl)benzoic acid | 480464-82-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-isopropoxy-5-(methoxycarbonyl)benzoic acid
• 英文别名: 5-isopropoxy-isophthalic acid monomethyl ester；3-methoxycarbonyl-5-propan-2-yloxybenzoic acid
• CAS: 480464-82-2
• 化学式: C₁₂H₁₄O₅
• 分子量: 238.24
• InChiKey: KWBOAQMDZIMEIC-UHFFFAOYSA-N

物化性质

• 沸点：
  395.0±27.0 °C(Predicted)
• 密度：
  1?+-.0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  17
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  72.8
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3-isopropoxy-5-(methoxycarbonyl)benzoic acid 在 氯化亚砜 、 三乙胺 、 N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate 、 sodium hydroxide 作用下， 以 甲醇 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 34.0h， 生成 3-isopropoxy-5-(pyrrolidine-1-carbonyl)benzoyl chloride
  参考文献：
  名称：

  Novel Amino-pyrazole Ureas with Potent In Vitro and In Vivo Antileishmanial Activity

  摘要：

  Visceral leishmaniasis is a severe parasitic disease that is one of the most neglected tropical diseases. Treatment options are limited, and there is an urgent need for new therapeutic agents. Following an HTS campaign and hit-optimization, novel series of amino-pyrazole ureas has been identified with potent in vitro antileishmanial activity. Furthermore, compound 26 shows high levels of in vivo efficacy (>90%) against Leishmania infantum, thus demonstrating proof of concept for this series.

  DOI：

  10.1021/acs.jmedchem.5b01456
• 作为产物：
  描述：

  5-羟基间苯二甲酸二甲酯 在 potassium carbonate 、 sodium hydroxide 作用下， 以 甲醇 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 32.0h， 生成 3-isopropoxy-5-(methoxycarbonyl)benzoic acid
  参考文献：
  名称：

  Novel Amino-pyrazole Ureas with Potent In Vitro and In Vivo Antileishmanial Activity

  摘要：

  Visceral leishmaniasis is a severe parasitic disease that is one of the most neglected tropical diseases. Treatment options are limited, and there is an urgent need for new therapeutic agents. Following an HTS campaign and hit-optimization, novel series of amino-pyrazole ureas has been identified with potent in vitro antileishmanial activity. Furthermore, compound 26 shows high levels of in vivo efficacy (>90%) against Leishmania infantum, thus demonstrating proof of concept for this series.

  DOI：

  10.1021/acs.jmedchem.5b01456

文献信息

• [EN] AMINO NICOTINATE DERIVATIVES AS GLUCOKINASE (GLK) MODULATORS<br/>[FR] DERIVES D'AMINONICOTINATE JOUANT LE ROLE DE MODULATEURS DE GLUCOKINASE (GLK)
  申请人：ASTRAZENECA AB

  公开号：WO2003000267A1

  公开（公告）日：2003-01-03

  The invention related to novel compounds of Formula (I) or a salt, solvate or prodrug thereof, wherein R?1?, R2, R3, n and m are as described in the specification, useful in the treatment of a (A chemical formula should be inserted here - please see paper copy enclosed) Formula (I) disease or condition mediated through glucokinase (GLK), such as type 2 diabetes. The invention also relates to methods for preparing compounds of Formula (I) and their use as medicaments in the treatment of diseases mediated by glucokinase.

  本发明涉及一种新型化合物的公式（I）或其盐，溶剂化物或前药，其中R?1？，R2，R3，n和m如规范中所述，对治疗通过葡萄糖激酶（GLK）介导的（这里应插入一种化学式-请参见随附的纸质副本）公式（I）疾病或病况有用，例如2型糖尿病。本发明还涉及制备公式（I）化合物的方法及其作为治疗由葡萄糖激酶介导的疾病的药物的用途。
• Compounds effecting glucokinase
  申请人：Boyd Scott

  公开号：US20050080106A1

  公开（公告）日：2005-04-14

  The invention relates to the use of a compound of Formula (I) or a salt, solvate or prodrug thereof, wherein R 1 , R 2 , R 3 , n and m are as described in the specification, in the preparation of a medicament for the treatment or prevention of a disease condition mediated through glucokinase (GLK), such as type 2 diabetes. The invention also relates to a novel group of compounds of Formula (I) and to methods for preparing compounds of Formula (I).

  本发明涉及使用式(I)化合物或其盐、溶剂化物或前药，其中R1、R2、R3、n和m如规范中所述，用于制备治疗或预防通过葡萄糖激酶（GLK）介导的疾病状态，例如2型糖尿病的药物。本发明还涉及一种新的式(I)化合物群以及制备式(I)化合物的方法。
• Amino nicotinate derivatives as glucokinase (GLK) modulators
  申请人：——

  公开号：US20040214868A1

  公开（公告）日：2004-10-28

  The invention related to novel compounds of Formula (I) or a salt, solvate or prodrug thereof, wherein R 1 , R 2 , R 3 , n and m are as described in the specification, useful in the treatment of a 1 disease or condition mediated through glucokinase (GLK), such as type 2 diabetes. The invention also relates to methods for preparing compounds of Formula (I) and their use as medicaments in the treatment of diseases mediated by glucokinase.

  该发明涉及式（I）的新化合物或其盐，溶剂化合物或前药，其中R1，R2，R3，n和m如规范所述，在通过葡萄糖激酶（GLK）介导的疾病或症状的治疗中有用，例如2型糖尿病。该发明还涉及制备式（I）化合物的方法，以及它们作为药物治疗由葡萄糖激酶介导的疾病的用途。
• PYRROLIDINE DERIVATIVES USEFUL AS BASE INHIBITORS
  申请人：Dally Dean Robert

  公开号：US20070213331A1

  公开（公告）日：2007-09-13

  The present invention provides BACE inhibitors of Formula I: methods for their use and preparation, and intermediates for their preparation.

  本发明提供了公式I的BACE抑制剂，其使用方法和制备方法以及其制备中间体。
• COMPOUNDS EFFECTING GLUCOKINASE
  申请人：BOYD Scott

  公开号：US20090227592A1

  公开（公告）日：2009-09-10

  The invention relates to the use of a compound of Formula (I) or a salt, solvate or prodrug thereof, wherein R 1 , R 2 , R 3 , n and m are as described in the specification, in the preparation of a medicament for the treatment or prevention of a disease condition mediated through glucokinase (GLK), such as type 2 diabetes. The invention also relates to a novel group of compounds of Formula (I) and to methods for preparing compounds of Formula (I).

  本发明涉及使用式（I）化合物或其盐、溶剂化物或前药，在制备用于治疗或预防通过葡萄糖激酶（GLK）介导的疾病状态，如2型糖尿病的药物。本发明还涉及一种新的式（I）化合物群以及制备式（I）化合物的方法。其中，R1、R2、R3、n和m如规范中所述。