(4-amino-3-methyl-phenoxy)-acetic acid | 78547-35-0

• 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: (4-amino-3-methyl-phenoxy)-acetic acid
• 英文别名: (4-Amino-3-methyl-phenoxy)-essigsaeure；(4-Amino-3-methylphenoxy)acetic acid；2-(4-amino-3-methylphenoxy)acetic acid
• CAS: 78547-35-0
• 化学式: C₉H₁₁NO₃
• 分子量: 181.191
• InChiKey: VCADFDOGHMYFEI-UHFFFAOYSA-N

物化性质

• 熔点：
  217-219 °C
• 沸点：
  377.0±27.0 °C(Predicted)
• 密度：
  1.265±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  72.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  乙醇 、 (4-amino-3-methyl-phenoxy)-acetic acid 在 盐酸 作用下， 生成 (4-amino-3-methyl-phenoxy)-acetic acid ethyl ester; hydrochloride
  参考文献：
  名称：

  Jacobs; Heidelberger, Journal of the American Chemical Society, 1917, vol. 39, p. 2190

  摘要：

  DOI：
• 作为产物：
  描述：

  (3-甲基-4-硝基苯氧基)乙酸 在 盐酸 、 tin 作用下， 生成 (4-amino-3-methyl-phenoxy)-acetic acid
  参考文献：
  名称：

  Jacobs; Heidelberger, Journal of the American Chemical Society, 1917, vol. 39, p. 2190

  摘要：

  DOI：

文献信息

• THIAZOLIDINONE COMPOUNDS AND USE THEREOF
  申请人：National Health Research Institutes

  公开号：US20170253569A1

  公开（公告）日：2017-09-07

  A pharmaceutical composition containing a compound of Formula (I) for treating an opioid receptor-associated condition. Also disclosed is a method for treating an opioid receptor-associated condition using such a compound. Further disclosed are two sets of thiazolidinone compounds of formula (I): (i) compounds each having an enantiomeric excess greater than 90% and (ii) compounds each being substituted with deuterium.

  一种含有化合物（I）的药物组合物，用于治疗与阿片受体相关的疾病。还公开了一种使用这种化合物治疗阿片受体相关疾病的方法。进一步公开了两组式（I）的噻唑烷酮化合物：（i）每种化合物的对映体过量大于90%；（ii）每种化合物被氘取代。
• Thiazolidinone compounds and use thereof
  申请人：National Health Research Institutes

  公开号：US10544113B2

  公开（公告）日：2020-01-28

  A pharmaceutical composition containing a compound of Formula (I) for treating an opioid receptor-associated condition. Also disclosed is a method for treating an opioid receptor-associated condition using such a compound. Further disclosed are two sets of thiazolidinone compounds of formula (I): (i) compounds each having an enantiomeric excess greater than 90% and (ii) compounds each being substituted with deuterium.

  一种含有用于治疗阿片受体相关疾病的式 (I) 化合物的药物组合物。还公开了一种使用此类化合物治疗阿片受体相关疾病的方法。进一步公开了两组式(I)的噻唑烷酮化合物：(i)对映体过量大于 90%的化合物和(ii)各自被氘取代的化合物。
• Pin1-modulating compounds and methods of use thereof
  申请人：Pintex Pharmaceuticals, Inc.

  公开号：US20040180889A1

  公开（公告）日：2004-09-16

  The invention is directed to modulators, e.g., inhibitors, of Pin1 and Pin1-related proteins and the use of such modulators for treatment of Pin1 associated states, e.g., for the treatment of cancer.

  本发明涉及Pin1和Pin1相关蛋白的调节剂，如抑制剂，以及使用这种调节剂治疗Pin1相关状态，如治疗癌症。
• [EN] PINI-MODULATING COMPOUNDS AND METHODS OF USE THEREOF<br/>[FR] COMPOSES DE MODULATION DE PIN1 ET PROCEDES D'UTILISATION CORRESPONDANT
  申请人：PINTEX PHARMACEUTICALS INC

  公开号：WO2003073999A2

  公开（公告）日：2003-09-12

  The invention is directed to modulators, e.g., inhibitors, of Pin1 and Pin1-related proteins and the use of such modulators for treatment of Pin1 associated states, e.g., for the treatment of cancer.
• [EN] THIAZOLIDINONE COMPOUNDS AND USE THEREOF<br/>[FR] COMPOSÉS DE THIAZOLIDINONE ET LEUR UTILISATION
  申请人：SHIH CHUAN

  公开号：WO2017155910A1

  公开（公告）日：2017-09-14

  A pharmaceutical composition containing a compound of Formula (I) for treating an opioid receptor-associated condition. Also disclosed is a method for treating an opioid receptor-associated condition using such a compound. Further disclosed are two sets of thiazolidinone compounds of formula (I): (i) compounds each having an enantiomeric excess greater than 90% and (ii) compounds each being substituted with deuterium.