3-amino-4-methylsulfanyl-benzoic acid amide | 857486-17-0

• 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: 3-amino-4-methylsulfanyl-benzoic acid amide
• 英文别名: 3-Amino-4-methylmercapto-benzoesaeure-amid；3-Amino-4-methylmercapto-benzamid；3-Amino-4-(methylthio)benzamide；3-amino-4-methylsulfanylbenzamide
• CAS: 857486-17-0
• 化学式: C₈H₁₀N₂OS
• 分子量: 182.246
• InChiKey: HVBBTGDKZFDWPJ-UHFFFAOYSA-N

物化性质

• 熔点：
  166 °C
• 沸点：
  330.9±32.0 °C(Predicted)
• 密度：
  1.29±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  94.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-二乙氨基-1-丙醇 、 3-amino-4-methylsulfanyl-benzoic acid amide 、 alkaline earth salt of/the/ methylsulfuric acid 生成 3-amino-4-methylsulfanyl-benzoic acid-(3-diethylamino-propyl ester)
  参考文献：
  名称：

  Alkamine Esters and Amides of Some Amino-alkylmercaptobenzoic Acids¹

  摘要：

  DOI：

  10.1021/ja01199a058
• 作为产物：
  描述：

  4-氯-3-硝基苯甲酰胺 在 乙醇 、 铂 作用下， 生成 3-amino-4-methylsulfanyl-benzoic acid amide
  参考文献：
  名称：

  Alkamine Esters and Amides of Some Amino-alkylmercaptobenzoic Acids¹

  摘要：

  DOI：

  10.1021/ja01199a058

文献信息

• TREATMENT OF CANCER
  申请人：Moore Jerome

  公开号：US20080103104A1

  公开（公告）日：2008-05-01

  The present invention provides compositions of matter, kits and methods for their use in the treatment of cancer. In particular, the invention provides compositions and methods for treating cancer in a subject by inhibiting a poly-ADP-ribose polymerase, as well as providing formulations and modes of administering such compositions.

  本发明提供了物质组成、工具箱和方法，用于治疗癌症。特别地，本发明提供了一种通过抑制多聚腺苷酸核糖聚合酶来治疗受试者的癌症的组合物和方法，以及提供这种组合物的配方和给药方式。
• INHIBITION OF FATTY ACID SYNTHESIS BY PARP INHIBITORS AND METHODS OF TREATMENT THEREOF
  申请人：Ossovskaya Valeria

  公开号：US20080103208A1

  公开（公告）日：2008-05-01

  The present invention relates to a method of treating a fatty acid synthesis related disease comprising administering to a patient in need thereof an effective amount of a PARP inhibitor or metabolite thereof to inhibit fatty acid synthesis, wherein the fatty acid synthesis related disease is obesity, diabetes, or cardiovascular disease. The present invention also relates to a method of treating a cancer in a subject comprising: (i) identifying a level of fatty acid in a sample from the subject, and (ii) administering an effective amount of a PARP inhibitor or metabolite thereof to inhibit fatty acid synthesis in the subject, wherein the administration is based on the level of fatty acid, thereby treating the cancer in the subject. The present invention further relates to a method of treating Her-2 related cancers by administering to a patient in need thereof an effective amount of a PARP inhibitor or metabolite thereof to inhibit fatty acid synthesis.
• TREATMENT OF UTERINE CANCER AND OVARIAN CANCER WITH A PARP INHIBITOR ALONE OR IN COMBINATION WITH ANTI-TUMOR AGENTS
  申请人：Sherman Barry M.

  公开号：US20090123419A1

  公开（公告）日：2009-05-14

  In one aspect, the present invention provides a method of treating uterine cancer, endometrial cancer, or ovarian cancer, comprising administering to a subject at least one PARP inhibitor. In another aspect, the present invention provides a method of treating uterine cancer, endometrial cancer, or ovarian cancer, comprising administering to a subject at least one PARP inhibitor in combination with at least one anti-tumor agent.
• TREATMENT OF BREAST CANCER WITH A PARP INHIBITOR ALONE OR IN COMBINATION WITH ANTI-TUMOR AGENTS
  申请人：Sherman Barry M.

  公开号：US20090131529A1

  公开（公告）日：2009-05-21

  In one aspect, the present invention provides a method of treating breast cancer that is negative for at least one of ER, PR, or HER2, comprising administering to a subject at least one PARP inhibitor. In another aspect, the present invention provides a method of treating breast cancer comprising administering to a subject at least one PARP inhibitor in combination with at least one anti-tumor agent.
• TREATMENT OF CANCER WITH COMBINATIONS OF TOPOISOMERASE INHIBITORS AND PARP INHIBITORS
  申请人：Ossovskaya Valeria

  公开号：US20090149397A1

  公开（公告）日：2009-06-11

  In one aspect, the present invention provides a composition and a kit comprising a combination of topoisomerase inhibitor and PARP inhibitor for treatment of cancer. In another aspect, the invention provides a method of treating cancer comprising administering to a subject a combination of topoisomerase inhibitor and PARP inhibitor. In particular, the invention provides compositions and methods for treating cancer in a subject by inhibiting a poly-ADP-ribose polymerase and a topoisomerase, as well as providing formulations and modes of administering such compositions.