2-octylthio-7-methyl-4H-3,1-benzoxazin-4-one | 351435-62-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶嗪类
• 英文名称: 2-octylthio-7-methyl-4H-3,1-benzoxazin-4-one
• 英文别名: 7-methyl-2-octylsulfanyl-3,1-benzoxazin-4-one
• CAS: 351435-62-6
• 化学式: C₁₇H₂₃NO₂S
• 分子量: 305.441
• InChiKey: IPHGAPLAUBJWEL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  21
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  64
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  光气 、 1-辛硫醇 、 4-(dicyanomethylene)-2-methyl-6-(p-dimethylaminostyryl)-4H-pyran 、 2-氨基-4-甲基苯甲酸 以 四氢呋喃 、 吡啶 、 甲苯 为溶剂， 以14%的产率得到2-octylthio-7-methyl-4H-3,1-benzoxazin-4-one
  参考文献：
  名称：

  2-thio-4h-3,1-benzoxazin-4-one derivatives for use as enzyme inhibitors

  摘要：

  化合物的使用，包括式（I）或其盐、酯、酰胺或前药的抑制作用，用于抑制一种首选作用方式是催化酯功能的水解的酶，例如在产品和过程中控制和抑制不需要的酶。这些化合物在医学上也很有用，例如在治疗肥胖和相关疾病方面。该发明还涉及式（I）内的新化合物，以及用于制备它们的方法和含有它们的药物组合物。在式（I）中，A是一个可选择取代的6元芳香环或杂芳环；而R1是支链或非支链的烷基（可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，还原杂芳基烷基或上述任何一组的取代衍生物。

  公开号：

  US20030176429A1

文献信息

• 2-thio-4h-3, 1-benzoxazin-4-one derivatives for use as enzyme inhibitors
  申请人：Downham Robert

  公开号：US06916808B2

  公开（公告）日：2005-07-12

  The use of a compound, comprising formula (I) or a salt, ester, amide of 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 an optionally substituted 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）或其盐，酯，酰胺或前药的化合物抑制一种首选作用方式是催化酯功能水解的酶，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，例如在治疗肥胖和相关疾病方面。本发明还涉及公式（I）内的新化合物，制备它们的方法以及含有它们的制药组合物。在公式（I）中，A是可选的取代的6元芳香或杂芳香环；R1是支链或非支链烷基（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，还原杂芳基烷基或上述任何基团的取代衍生物。
• 2-THIO-4H-3,1-BENZOXAZIN-4-ONE DERIVATIVES FOR USE AS ENZYME INHIBITORS
  申请人：Alizyme Therapeutics Limited

  公开号：EP1255742A1

  公开（公告）日：2002-11-13
• US6916808B2
  申请人：——

  公开号：US6916808B2

  公开（公告）日：2005-07-12
• [EN] 2-THIO-4H-3,1-BENZOXAZIN-4-ONE DERIVATIVES FOR USE AS ENZYME INHIBITORS<br/>[FR] DERIVES DE 2-THIO-4H-3,1-BENZOXAZINE-4-ONE UTILISES EN TANT QU'INHIBITEURS D'ENZYMES
  申请人：ALIZYME THERAPEUTICS LTD

  公开号：WO2001053278A1

  公开（公告）日：2001-07-26

  The use of a compound, comprising formula (I) or a salt, ester, amide of 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 an optionally substituted 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.