2-amino-5-octylbenzoic acid | 113736-77-9

• 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: 2-amino-5-octylbenzoic acid
• 英文别名: 5-octyl Anthranilic Acid
• CAS: 113736-77-9
• 化学式: C₁₅H₂₃NO₂
• 分子量: 249.353
• InChiKey: WWCVEHIVQBOHJI-UHFFFAOYSA-N

物化性质

• 沸点：
  400.8±38.0 °C(Predicted)
• 密度：
  1.056±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  18
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  63.3
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  二硫化碳 、 2-amino-5-octylbenzoic acid 、 异戊醇 在 亚硝酸异戊酯 作用下， 以 1,2-二氯乙烷 、 1,4-二氧六环 为溶剂， 以36%的产率得到5-octyl-2-(3-methylbutoxy)-1,3-benzodithiole
  参考文献：
  名称：

  基于可溶液加工的二苯并四硫富瓦烯衍生物的有机场效应晶体管

  摘要：

  基于烷基取代的二苯并四硫富瓦烯 (DBTTF) 的有机场效应晶体管是通过溶液工艺制造的。具有丁基或更长烷基基团的分子是立...

  DOI：

  10.1246/cl.2009.200
• 作为产物：
  描述：

  5-octyl-2,3-indoledione 在 potassium chloride 、 双氧水 、 sodium hydroxide 作用下， 以 水 为溶剂， 以89%的产率得到2-amino-5-octylbenzoic acid
  参考文献：
  名称：

  基于可溶液加工的二苯并四硫富瓦烯衍生物的有机场效应晶体管

  摘要：

  基于烷基取代的二苯并四硫富瓦烯 (DBTTF) 的有机场效应晶体管是通过溶液工艺制造的。具有丁基或更长烷基基团的分子是立...

  DOI：

  10.1246/cl.2009.200

文献信息

• 2-Oxy-benzoxazinone derivatives for the treatment of obesity
  申请人：——

  公开号：US20030027821A1

  公开（公告）日：2003-02-06

  The use of a compound comprising formula (I): 1 (I) or a salt, ester, amide or prodrug therof in the inhibition of an enzyme whose preferred mode of action is to catalyse the hydrolysis of an ester functionality, e.g. in the control and inhibition of unwanted enzymes in products and processes. The compounds are also useful in medicine e.g. in the treatment of obesity and related conditions. The invention also relates to novel compounds within formula (I), to processes for preparing them and pharmaceutical compositions containing them. In formula (I) A is a 6-membered aromatic or heteroaromatic ring; and R 1 is a branched or unbranched alkyl (optionally interrupted by one or more oxygen atoms), alkenyl, alkynyl, cycloalkyl, cycloalkenyl, aryl, arylalkyl, reduced arylalkyl, arylalkenyl, heteroaryl, heteroarylalkyl, heteroarylalkenyl, reduced aryl, reduced heteroaryl, reduced heteroarylalkyl or a substituted derivative of any of the foregoing groups.

  公式（I）中包含的化合物的使用：1（I）或其盐、酯、酰胺或前药，在抑制一种首选作用模式是催化酯功能水解的酶中的应用，例如在产品和过程中控制和抑制不需要的酶。这些化合物还在医学中有用，例如在肥胖和相关疾病的治疗中。本发明还涉及在公式（I）内的新化合物，用于制备它们的方法以及含有它们的药物组合物。在公式（I）中，A是一个6元芳香或杂芳环；R1是支链或直链烷基（可由一个或多个氧原子中断），烯烃基，炔烃基，环烷基，环烯烃基，芳基，芳基烷基，还原芳基烷基，芳基烯烃基，杂芳基，杂芳基烷基，杂芳基烯烃基，还原芳基，还原杂芳，还原杂芳烷基或上述任何一个基团的取代衍生物。
• [EN] 2-OXY-4H-3,1-BENZOXAZIN-4-ONES FOR TREATMENT OF OBESITY<br/>[FR] 2-OXY-4H-3,1-BENZOXAZINE-4-ONES DESTINEES AU TRAITEMENT DE L'OBESITE
  申请人：ALIZYME THERAPEUTICS LTD

  公开号：WO2000040569A1

  公开（公告）日：2000-07-13

  The use of a compound comprising formula (I) or a salt, ester, amide or prodrug therof in the inhibition of an enzyme whose preferred mode of action is to catalyse the hydrolysis of an ester functionality, e.g. in the control and inhibition of unwanted enzymes in products and processes. The compounds are also useful in medicine e.g. in the treatment of obesity and related conditions. The invention also relates to novel compounds within formula (I), to processes for preparing them and pharmaceutical compositions containing them. In formula (I) A is a 6-membered aromatic or heteroaromatic ring; and R1 is a branched or unbranched alkyl (optionally interrupted by one or more oxygen atoms), alkenyl, alkynyl, cycloalkyl, cycloalkenyl, aryl, arylalkyl, reduced arylalkyl, arylalkenyl, heteroaryl, heteroarylalkyl, heteroarylalkenyl, reduced aryl, reduced heteroaryl, reduced heteroarylalkyl or a substituted derivative of any of the foregoing groups.

  使用式(I)或其盐、酯、酰胺或前药，抑制一种首选作用方式为催化酯官能团水解的酶的使用，例如在产品和过程中控制和抑制不需要的酶。该化合物在医学上也有用，例如在肥胖和相关疾病的治疗中。该发明还涉及式(I)内的新化合物，制备它们的方法以及含有它们的药物组合物。在式(I)中，A是6元芳香或杂芳基环；R1是支链或直链烷基（可选地通过一个或多个氧原子中断），烯基，炔基，环烷基，环烯基，芳基，芳基烷基，还原芳基烷基，芳基烯基，杂芳基，杂芳基烷基，还原杂芳基烷基或任何上述基团的取代衍生物。
• 2-Oxy-Benzoxazinone Derivatives for the Treatment of Obesity
  申请人：Hodson Harold Francis

  公开号：US20080161301A1

  公开（公告）日：2008-07-03

  The use of a compound comprising formula (I): or a salt, ester, amide or prodrug thereof in the inhibition of an enzyme whose preferred mode of action is to catalyse the hydrolysis of an ester functionality, e.g. in the control and inhibition of unwanted enzymes in products and processes. The compounds are also useful in medicine e.g. in the treatment of obesity and related conditions. The invention also relates to novel compounds within formula (I), to processes for preparing them and pharmaceutical compositions containing them. In formula (I) A is a 6-membered aromatic or heteroaromatic ring; and R 1 is a branched or unbranched alkyl (optionally interrupted by one or more oxygen atoms), alkenyl, alkynyl, cycloalkyl, cycloalkenyl, aryl, arylalkyl, reduced arylalkyl, arylalkenyl, heteroaryl, heteroarylalkyl, heteroarylalkenyl, reduced aryl, reduced heteroaryl, reduced heteroarylalkyl or a substituted derivative of any of the foregoing groups.

  使用式(I)的化合物或其盐、酯、酰胺或前药在抑制一种首选模式为催化酯官能团水解的酶方面具有应用，例如在产品和过程中控制和抑制不需要的酶。该化合物也在医学上有用，例如在肥胖和相关疾病的治疗中。该发明还涉及式(I)内的新化合物，以及制备它们的过程和含有它们的药物组成物。 在式(I)中，A是6元芳香或杂芳香环；而R1是支链或非支链烷基（可选地被一个或多个氧原子打断）、烯基、炔基、环烷基、环烯基、芳基、芳基烷基、还原芳基烷基、芳基烯基、杂芳基、杂芳基烷基、杂芳基烯基、还原芳基、还原杂芳基、还原杂芳基烷基或上述任何基团的取代衍生物。
• 2-OXY-BENZOXAZINONE DERIVATIVES FOR THE TREATMENT OF OBESITY
  申请人：Hodson Harold Francis

  公开号：US20110065697A1

  公开（公告）日：2011-03-17

  The use of a compound comprising formula (I): or a salt, ester, amide or prodrug thereof in the inhibition of an enzyme whose preferred mode of action is to catalyse the hydrolysis of an ester functionality, e.g. in the control and inhibition of unwanted enzymes in products and processes. The compounds are also useful in medicine e.g. in the treatment of obesity and related conditions. The invention also relates to novel compounds within formula (I), to processes for preparing them and pharmaceutical compositions containing them. In formula (I) A is a 6-membered aromatic or heteroaromatic ring; and R 1 is a branched or unbranched alkyl (optionally interrupted by one or more oxygen atoms), alkenyl, alkynyl, cycloalkyl, cycloalkenyl, aryl, arylalkyl, reduced arylalkyl, arylalkenyl, heteroaryl, heteroarylalkyl, heteroarylalkenyl, reduced aryl, reduced heteroaryl, reduced heteroarylalkyl or a substituted derivative of any of the foregoing groups.

  使用公式（I）的化合物或其盐，酯，酰胺或前药在抑制其首选作用方式为催化酯官能团水解的酶中的应用，例如在产品和过程中控制和抑制不需要的酶。该化合物在医学上也很有用，例如在肥胖和相关疾病的治疗中。该发明还涉及公式（I）内的新化合物、制备它们的过程以及含有它们的制药组合物。在公式（I）中，A是6元芳香或杂芳香环；R1是支链或直链烷基（可选地由一个或多个氧原子中断），烯基，炔基，环烷基，环烯基，芳基，芳基烷基，还原芳基烷基，芳基烯基，杂芳基，杂芳基烷基，杂芳基烯基，还原芳基，还原杂芳基，还原杂芳基烷基或任何上述基团的取代衍生物。
• 2-AMINO-BENZOXAZINONE DERIVATIVES FOR THE TREATMENT OF OBESITY
  申请人：Alizyme Therapeutics Limited

  公开号：EP1144395A1

  公开（公告）日：2001-10-17