N-(2-甲基-5-硝基苯基氨基硫代甲酰)乙酰胺 | 72621-59-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: N-(2-甲基-5-硝基苯基氨基硫代甲酰)乙酰胺
• 英文名称: N-((2-methyl-5-nitrophenyl)carbamothioyl)acetamide
• 英文别名: N-((2-methyl-5-nitrobenzene)sulfonyl)acetamide；1-acetyl-3-(2-methyl-5-nitro-phenyl)-thiourea；N-[(2-methyl-5-nitrophenyl)carbamothioyl]acetamide
• CAS: 72621-59-1
• 化学式: C₁₀H₁₁N₃O₃S
• 分子量: 253.282
• InChiKey: CDPXNPNSPNMGCJ-UHFFFAOYSA-N

物化性质

• 密度：
  1.399

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  119
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N-(2-甲基-5-硝基苯基氨基硫代甲酰)乙酰胺 在 甲醇 、 potassium carbonate 作用下， 以90 %的产率得到1-(2-甲基-5-硝基苯基)硫脲
  参考文献：
  名称：

  [EN] DEOXYCYTIDINE KINASE INHIBITORS
  [FR] INHIBITEURS DE DÉSOXYCYTIDINE KINASE

  摘要：

  The present invention relates to compounds of formula (I) as deoxycytidine kinase inhibitors and pharmaceutical compositions comprising the same. The present invention further relates to the use of such compounds of formula (I) for use for treating a cancer.

  公开号：

  WO2023135330A1
• 作为产物：
  描述：

  potassium thioacyanate 、 乙酰氯 、 2-氨基-4-硝基甲苯 以 丙酮 为溶剂， 以99 %的产率得到N-(2-甲基-5-硝基苯基氨基硫代甲酰)乙酰胺
  参考文献：
  名称：

  [EN] DEOXYCYTIDINE KINASE INHIBITORS
  [FR] INHIBITEURS DE DÉSOXYCYTIDINE KINASE

  摘要：

  The present invention relates to compounds of formula (I) as deoxycytidine kinase inhibitors and pharmaceutical compositions comprising the same. The present invention further relates to the use of such compounds of formula (I) for use for treating a cancer.

  公开号：

  WO2023135330A1

文献信息

• Process for the synthesis of 2-aminothiazole compounds as kinase inhibitors
  申请人：AB Science

  公开号：US08153792B2

  公开（公告）日：2012-04-10

  The present invention relates to an industrial process of preparing pharmaceutical compounds having the formula (1) which are useful as certain tyrosine kinase inhibitors and more particularly as c-kit and bcr-abl inhibitors. The groups R1 and R2, identical or different, represent each a hydrogen, halogen atom, an alkyl, an alkoxy, a trifluoromethyl, an amino, an alkylamino, a dialkylamino, a solubilising group; m is 0-5 and n is 0-4; the group R3 represents an aryl or an heteroaryl group as described in claims herein.

  本发明涉及一种工业制备具有式（1）的药物化合物的过程，该化合物可用作某些酪氨酸激酶抑制剂，更具体地作为c-kit和bcr-abl抑制剂。基团R1和R2，相同或不同，分别表示氢、卤素原子、烷基、烷氧基、三氟甲基、氨基、烷基氨基、二烷基氨基、溶解性基团；m为0-5，n为0-4；基团R3表示如权利要求中所述的芳基或杂环基团。
• PROCESS FOR THE SYNTHESIS OF 2-AMINOTHIAZOLE COMPOUNDS AS KINASE INHIBITORS
  申请人：Moussy Alain

  公开号：US20100121063A1

  公开（公告）日：2010-05-13

  The present invention relates to an industrial process of preparing pharmaceutical compounds having the formula (1) which are useful as certain tyrosine kinase inhibitors and more particularly as c-kit and bcr-abl inhibitors. The groups R1 and R2, identical or different, represent each a hydrogen, halogen atom, an alkyl, an alkoxy, a trifluoromethyl, an amino, an alkylamino, a dialkylamino, a solubilising group; m is 0-5 and n is 0-4; the group R3 represents an aryl or an heteroaryl group as described in claims herein.

  本发明涉及一种制备具有式（1）的药物化合物的工业过程，该化合物可用作某些酪氨酸激酶抑制剂，更具体地用作c-kit和bcr-abl抑制剂。其中，基团R1和R2相同或不同，分别表示氢原子、卤素原子、烷基、烷氧基、三氟甲基、氨基、烷基氨基、二烷基氨基、增溶基；m为0-5，n为0-4；基团R3表示如权利要求中所述的芳基或杂环基。
• AMINOTHIAZOLE COMPOUNDS AS KINASE INHIBITORS AND METHODS OF USING THE SAME
  申请人：AB Science

  公开号：US20130289045A1

  公开（公告）日：2013-10-31

  The present invention relates to an industrial process of preparing pharmaceutical compounds having the formula I: which are useful as certain tyrosine kinase inhibitors and more particularly as c-kit and bcr-abl inhibitors. The groups R1 and R2, identical or different, represent each a hydrogen, halogen atom, an alkyl, an alkoxy, a trifluoromethyl, an amino, an alkylamino, a dialkylamino, a solubilising group; m is 0-5 and n is 0-4; the group R3 represents an aryl or an heteroaryl group as described in claims herein.

  本发明涉及一种制备具有I式的药物化合物的工业过程：其中这些化合物可作为某些酪氨酸激酶抑制剂，更具体地作为c-kit和bcr-abl抑制剂。基团R1和R2，相同或不同，分别表示氢、卤素原子、烷基、烷氧基、三氟甲基、氨基、烷基氨基、二烷基氨基、溶解性基团；m为0-5，n为0-4；基团R3表示如权利要求所述的芳基或杂环基团。
• Aminothiazole compounds as kinase inhibitors and methods of using the same
  申请人：Moussy Alain

  公开号：US08492545B2

  公开（公告）日：2013-07-23

  The present invention relates to an industrial process of preparing pharmaceutical compounds having the formula I: which are useful as certain tyrosine kinase inhibitors and more particularly as c-kit and bcr-abl inhibitors. The groups R1 and R2, identical or different, represent each a hydrogen, halogen atom, an alkyl, an alkoxy, a trifluoromethyl, an amino, an alkylamino, a dialkylamino, a solubilising group; m is 0-5 and n is 0-4; the group R3 represents an aryl or an heteroaryl group as described in claims herein.

  本发明涉及一种制备具有公式I的药物化合物的工业过程，该药物化合物可用作某些酪氨酸激酶抑制剂，更具体地用作c-kit和bcr-abl抑制剂。其中，基团R1和R2，相同或不同，分别表示氢、卤素原子、烷基、烷氧基、三氟甲基、氨基、烷基氨基、二烷基氨基、增溶基；m为0-5，n为0-4；基团R3表示所述权利要求中所述的芳基或杂环基。
• 一种新冠病毒抑制剂，其制备方法和其药物组合物与用途
  申请人：中国医学科学院药物研究所

  公开号：CN117126153A

  公开（公告）日：2023-11-28

  本发明属于医药技术领域，主要涉及冠状病毒Mpro蛋白酶抑制剂，其制备方法，含它们的药物组合物，及其作为药物，尤其是作为治疗或预防冠状病毒感染的用途。