ethyl 2-(2-(4-(2,4-dimethylphenyl-carbamoyl)-1H-imidazole-5-carboxamido)-1H-benzo[d]imidazol-5-yloxy)acetate

• 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: ethyl 2-(2-(4-(2,4-dimethylphenyl-carbamoyl)-1H-imidazole-5-carboxamido)-1H-benzo[d]imidazol-5-yloxy)acetate
• 英文别名: Ethyl 2-(2-(4-(2,4-dimethylphenylcarbamoyl)-1h-imidazole-5-carboxamido)-1h-benzo[d]imidazol-5-yloxy)acetate；ethyl 2-[[2-[[4-[(2,4-dimethylphenyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]-3H-benzimidazol-5-yl]oxy]acetate
• 化学式: C₂₄H₂₄N₆O₅
• 分子量: 476.492
• InChiKey: LLYXFTKBFOZSNN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  35
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  151
• 氢给体数：
  4
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  ethyl 2-(2-(4-(2,4-dimethylphenyl-carbamoyl)-1H-imidazole-5-carboxamido)-1H-benzo[d]imidazol-5-yloxy)acetate 、 3-氨基-1,2-丙二醇 以 四氢呋喃 、 N,N-二甲基乙酰胺 为溶剂， 生成 N5-[6-({2-[(2,3-dihydroxypropyl)amino]-2-oxoethyl}oxy)-1H-benzimidazol-2-yl]-N4-(2,4-dimethylphenyl)-1H-imidazole-4,5-dicarboxamide
  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：

  ethyl 2-(2-amino-1H-benzoimidazol-6-yloxy)acetate hydrochloride 、 N1,N6-bis(2,4-dimethylphenyl)-5,10-dioxo-5H,10H-diimidazo[1,5-a:1',5'-d]pyrazine-1,6-dicarboxamide 生成 ethyl 2-(2-(4-(2,4-dimethylphenyl-carbamoyl)-1H-imidazole-5-carboxamido)-1H-benzo[d]imidazol-5-yloxy)acetate
  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

文献信息

• 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。
• IMIDAZOLE-4,5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS
  申请人：Exelixis, Inc.

  公开号：EP2061768A2

  公开（公告）日：2009-05-27
• US8088767B2
  申请人：——

  公开号：US8088767B2

  公开（公告）日：2012-01-03
• [EN] JAK-2 MODULATORS AND METHODS OF USE<br/>[FR] MODULATEURS DE JAK-2 ET MÉTHODES D'UTILISATION
  申请人：EXELIXIS INC

  公开号：WO2008042282A2

  公开（公告）日：2008-04-10

  (EN) 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.(FR) L'invention concerne le domaine des tyrosines kinases protéiques et des inhibiteurs associés. Notamment, l'invention a pour objet des inhibiteurs de JAK-2, des compositions pharmaceutiques des composés servant à inhiber JAK-2, des méthodes d'inhibition de JAK-2 dans une cellule qui consistent à mettre en contact une cellule dans laquelle on souhaite inhiber JAK-2 avec un composé ou une composition pharmaceutique comprenant un composé de l'invention. Celle-ci concerne aussi des méthodes de traitement d'une maladie ou d'un trouble qui implique JAK-2, lesdites méthodes consistant à administrer à un patient une composition pharmaceutique contenant un composé de cette invention.