N-(4,5-二甲基咪唑-2-基)乙酰胺 | 40639-97-2

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: N-(4,5-二甲基咪唑-2-基)乙酰胺
• 英文名称: N-<4,5-Dimethyl-1H-imidazol-2-yl>acetamide
• 英文别名: N-(4,5-dimethyl-1H-imidazol-2-yl)acetamide；N-(4,5-dimethyl-1H-imidazol-2-yl)-acetamide；N-(4,5-Dimethyl-1H-imidazol-2-yl)-acetamid；N-(4,5-dimethylimidazol-2-yl)acetamide
• CAS: 40639-97-2
• 化学式: C₇H₁₁N₃O
• 分子量: 153.184
• InChiKey: GEUWWFIMNCOZCY-UHFFFAOYSA-N

物化性质

• 密度：
  1.209±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  57.8
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2933290090

反应信息

• 作为反应物：
  描述：

  N-(4,5-二甲基咪唑-2-基)乙酰胺 在 甲醇 、 硫酸 、 水 作用下， 反应 16.0h， 生成 4,5-二甲基-2-氨基-1H-咪唑
  参考文献：
  名称：

  [EN] IMIDAZOLE-4, 5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS
  [FR] MODULATEURS DE JAK-2 ET MÉTHODES D'UTILISATION

  摘要：

  公开号：

  WO2008042282A3
• 作为产物：
  描述：

  N-乙酰基胍 、 3-溴-2-丁酮 以 N,N-二甲基甲酰胺 为溶剂， 反应 168.0h， 生成 N-(4,5-二甲基咪唑-2-基)乙酰胺
  参考文献：
  名称：

  [EN] QUINAZOLINE DERIVATIVES
  [FR] DERIVES DE QUINAZOLINE

  摘要：

  这项发明涉及式(I)的喹唑啉衍生物或其药用盐、溶剂化合物或前药，其中X1、p、R1、q、R2、R3、R4、R5、环A、r和R6中的每一个在描述中已定义的含义中具有任何含义；它们的制备方法，含有它们的药物组合物以及它们在制造用于治疗细胞增殖紊乱或与血管生成和/或血管通透性相关的疾病状态的药物的用途。

  公开号：

  WO2006040520A1

文献信息

• Quinazoline derivatives
  申请人：Ple Patrick

  公开号：US20090233924A1

  公开（公告）日：2009-09-17

  The invention concerns quinazoline derivatives of Formula (I) or a pharmaceutically-acceptable salt, solvate or pro-drug thereof, wherein each of X 1 , p, R 1 , q, R 2 , R 3 , R 4 , R 5 , Ring A, r and R 6 has any of the meanings defined hereinbefore in the description; processes for their preparation, pharmaceutical compositions containing them and their use in the manufacture of a medicament for use in the treatment of cell proliferative disorders or in the treatment of disease states associated with angiogenesis and/or vascular permeability.

  本发明涉及公式（I）的喹唑啉衍生物或其药学上可接受的盐、溶剂或前药，其中X1、p、R1、q、R2、R3、R4、R5、环A、r和R6中的每一个都具有在本说明书中定义的任何含义；制备它们的过程，含有它们的制药组合物以及它们用于制造用于治疗细胞增殖性疾病或与血管生成和/或血管通透性相关的疾病状态的药物的用途。
• QUINAZOLINE DERIVATIVES
  申请人：Ple Patrick

  公开号：US20120165351A1

  公开（公告）日：2012-06-28

  The invention concerns quinazoline derivatives of Formula I or a pharmaceutically-acceptable salt, solvate or pro-drug thereof, wherein each of X 1 , p, R 1 , q, R 2 , R 3 , R 4 , R 5 , Ring A, r and R 6 has any of the meanings defined hereinbefore in the description; processes for their preparation, pharmaceutical compositions containing them and their use in the manufacture of a medicament for use in the treatment of cell proliferative disorders or in the treatment of disease states associated with angiogenesis and/or vascular permeability.

  该发明涉及公式I的喹唑啉衍生物，或其药学上可接受的盐、溶剂或前药，其中X1、p、R1、q、R2、R3、R4、R5、环A、r和R6中的每一个具有上述描述中定义的任何含义；其制备过程，含有它们的药物组合物以及它们在制造用于治疗细胞增殖性疾病或与血管生成和/或血管通透性相关的疾病状态的药物中的使用。
• JAK-2 modulators and methods of use
  申请人：Exelixis, Inc.

  公开号：US08088767B2

  公开（公告）日：2012-01-03

  This invention relates to the field of protein tyrosine kinases and inhibitors thereof. In particular, the invention relates to inhibitors of JAK-2, pharmaceutical compositions of the compounds for inhibiting JAK-2, methods of inhibiting JAK-2 in a cell, comprising contacting a cell in which inhibition of JAK-2 is desired with a compound or pharmaceutical composition comprising a compound according to the invention. The also comprises methods of treating a disease or condition that involves JAK-2 comprising administering to a patient a pharmaceutical composition comprising a compound according to the invention.

  本发明涉及蛋白酪氨酸激酶及其抑制剂领域。具体来说，本发明涉及JAK-2的抑制剂、用于抑制JAK-2的化合物的制药组合物、在细胞中抑制JAK-2的方法，包括将需要抑制JAK-2的细胞与本发明的化合物或制药组合物中含有的化合物接触。本发明还包括治疗涉及JAK-2的疾病或病症的方法，包括向患者投与本发明的化合物组成的制药组合物。
• JAK-2 Modulators and Methods of Use
  申请人：Galan Adam Antoni

  公开号：US20100136136A1

  公开（公告）日：2010-06-03

  This invention relates to the field of protein tyrosine kinases and inhibitors thereof. In particular, the invention relates to inhibitors of JAK-2, pharmaceutical compositions of the compounds for inhibiting JAK-2, methods of inhibiting JAK-2 in a cell, comprising contacting a cell in which inhibition of JAK-2 is desired with a compound or pharmaceutical composition comprising a compound according to the invention. The also comprises methods of treating a disease or condition that involves JAK-2 comprising administering to a patient a pharmaceutical composition comprising a compound according to the invention.

  本发明涉及蛋白酪氨酸激酶及其抑制剂领域。具体而言，本发明涉及JAK-2的抑制剂，以及用于抑制JAK-2的化合物的制药组合物，包括通过将含有本发明化合物的化合物或制药组合物与需要抑制JAK-2的细胞接触来抑制JAK-2的细胞方法。本发明还包括治疗涉及JAK-2的疾病或病状的方法，包括向患者施用包含本发明化合物的制药组合物。
• Aminoazabenzimidazoles, a Novel Class of Orally Active Antimalarial Agents
  作者：Shahul Hameed P、Murugan Chinnapattu、Gajanan Shanbag、Praveena Manjrekar、Krishna Koushik、Anandkumar Raichurkar、Vikas Patil、Sandesh Jatheendranath、Suresh S. Rudrapatna、Shubhada P. Barde、Nikhil Rautela、Disha Awasthy、Sapna Morayya、Chandan Narayan、Stefan Kavanagh、Ramanatha Saralaya、Sowmya Bharath、Pavithra Viswanath、Kakoli Mukherjee、Balachandra Bandodkar、Abhishek Srivastava、Vijender Panduga、Jitender Reddy、K. R. Prabhakar、Achyut Sinha、María Belén Jiménez-Díaz、María Santos Martínez、Iñigo Angulo-Barturen、Santiago Ferrer、Laura María Sanz、Francisco Javier Gamo、Sandra Duffy、Vicky M. Avery、Pamela A. Magistrado、Amanda K. Lukens、Dyann F. Wirth、David Waterson、V. Balasubramanian、Pravin S. Iyer、Shridhar Narayanan、Vinayak Hosagrahara、Vasan K. Sambandamurthy、Sreekanth Ramachandran

  DOI：10.1021/jm500535j

  日期：2014.7.10

  Whole-cell high-throughput screening of the AstraZeneca compound library against the asexual blood stage of Plasmodium falciparum (Pf) led to the identification of amino imidazoles, a robust starting point for initiating a hit-to-lead medicinal chemistry effort. Structure-activity relationship studies followed by pharmacokinetics optimization resulted in the identification of 23 as an attractive lead with good oral bioavailability. Compound 23 was found to be efficacious (ED90 of 28.6 mg.kg(-1)) in the humanized P. falciparum mouse model of malaria (Pf/SCID model). Representative compounds displayed a moderate to fast killing profile that is comparable to that of chloroquine. This series demonstrates no cross-resistance against a panel of Pf strains with mutations to known antimalarial drugs, thereby suggesting a novel mechanism of action for this chemical class.