tert-butyl 6-chloro-2-(chloromethyl)-1H-benzo[d]imidazole-1-carboxylate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: tert-butyl 6-chloro-2-(chloromethyl)-1H-benzo[d]imidazole-1-carboxylate
• 英文别名: 2-chloromethyl-1-tert-butoxycarbonyl-6-chlorobenzimidazole；tert-butyl 6-chloro-2-(chloromethyl)benzimidazole-1-carboxylate
• 化学式: C₁₃H₁₄Cl₂N₂O₂
• 分子量: 301.172
• InChiKey: HBXPYINUKBZWPA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  44.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  tert-butyl 6-chloro-2-(chloromethyl)-1H-benzo[d]imidazole-1-carboxylate 在 potassium carbonate 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 2.1h， 生成 5-((2-(4-(((6-chloro-1H-benzo[d]imidazol-2-yl)methyl)amino)butoxy)ethyl)amino)benzo[c][2,6]naphthyridine-8-carboxamide trifluoroacetic acid
  参考文献：
  名称：

  NOVEL COMPOUNDS, COMPOSITIONS AND THERAPEUTIC USES THEREOF

  摘要：

  Provided are compounds of the Formula I, and salts, hydrates and solvates thereof: wherein Q, RLand RRare each as defined in the specification. The compounds are inhibitors of Casein Kinase 2 alpha (CK2α) and are useful for the treatment and/or prevention of diseases and conditions in which CK2α activity is implicated, such as, for example, but not limited to, the treatment and/or prevention of proliferative disorders (e.g. cancer), viral infections, inflammation, diabetes, vascular and ischemic disorders, neurodegeneration and the regulation of circadian rhythm. The present invention also relates to pharmaceutical compositions comprising the compounds defined herein, to processes for synthesising these compounds and to their use for the treatment of diseases and/or conditions in which CK2α activity is implicated.

  公开号：

  WO2024052690A1
• 作为产物：
  描述：

  二碳酸二叔丁酯 、 5-氯-2-氯甲基-1H-苯并咪唑 以 1,4-二氧六环 为溶剂， 以20 %的产率得到tert-butyl 6-chloro-2-(chloromethyl)-1H-benzo[d]imidazole-1-carboxylate
  参考文献：
  名称：

  NOVEL COMPOUNDS, COMPOSITIONS AND THERAPEUTIC USES THEREOF

  摘要：

  Provided are compounds of the Formula I, and salts, hydrates and solvates thereof: wherein Q, RLand RRare each as defined in the specification. The compounds are inhibitors of Casein Kinase 2 alpha (CK2α) and are useful for the treatment and/or prevention of diseases and conditions in which CK2α activity is implicated, such as, for example, but not limited to, the treatment and/or prevention of proliferative disorders (e.g. cancer), viral infections, inflammation, diabetes, vascular and ischemic disorders, neurodegeneration and the regulation of circadian rhythm. The present invention also relates to pharmaceutical compositions comprising the compounds defined herein, to processes for synthesising these compounds and to their use for the treatment of diseases and/or conditions in which CK2α activity is implicated.

  公开号：

  WO2024052690A1

文献信息

• Catechols as antimicrobial agents
  申请人：Merck & Co., Inc.

  公开号：US06348482B1

  公开（公告）日：2002-02-19

  Compounds, pharmaceutically acceptable salts, and compositions thereof of the general formula: wherein Ar is aryl and heteroaryl; R1, R2, R3, and R4 are hydrido, alkyl, cyano, heteroaryl, hydroxy, amino, acylamino, halo, alkoxy, aryloxy, carboxyamido, alkenyl, cycloalkyl, heterocyclyl, acyl, acyloxy, carboalkoxy, carboxy, thio, sulfinyl, sulfonyl and sulfoxy, R5, R6, R7, and R8 are hydrido and lower alkyl; and Het is a nitrogen-containing heterocyclic ring.

  通用公式的化合物、药用可接受盐及其组合物，其中Ar为芳基和杂环芳基；R1、R2、R3和R4为氢、烷基、氰基、杂环芳基、羟基、氨基、酰胺基、卤素、烷氧基、芳氧基、羧酰胺基、烯基、环烷基、杂环烷基、酰基、酰氧基、羧酰烷氧基、羧基、硫、亚砜基、磺酰基和亚砜氧基，R5、R6、R7和R8为氢和低烷基；Het为含氮杂环环。
• Sulfonic acid sulfonylamino n-(heteroaralkyl)-azaheterocyclylamide compounds
  申请人：Aventis Pharma Deutschland GmbH

  公开号：US06281227B1

  公开（公告）日：2001-08-28

  The compounds of formula I herein exhibit useful pharmacological activity and accordingly are incorporated into pharmaceutical compositions and used in the treatment of patients suffering from certain medical disorders. More specifically, they are inhibitors of the activity of Factor Xa. The present invention is directed to compounds of formula I, compositions containing compounds of formula I, and their use, for treating a patient suffering from, or subject to, a physiological condition which can be ameliorated by the administration of an inhibitor of the activity of Factor Xa.

  本文中的化合物具有有用的药理活性，因此被纳入药物组合物中，并用于治疗患有某些医学疾病的患者。更具体地说，它们是凝血因子Xa活性的抑制剂。本发明涉及具有I式化合物的化合物、含有I式化合物的组合物，以及它们的用途，用于治疗患有或受到生理状况影响的患者，这些生理状况可以通过给予凝血因子Xa活性抑制剂来改善。
• Sulfonic acid or sulfonylamino N-(heteroaralkyl)-azaheterocyclylamide compounds
  申请人：——

  公开号：US20020013310A1

  公开（公告）日：2002-01-31

  The compounds of formula I herein exhibit useful pharmacological activity and accordingly are incorporated into pharmaceutical compositions and used in the treatment of patients suffering from certain medical disorders. More specifically, they are inhibitors of the activity of Factor Xa. The present invention is directed to compounds of formula I, compositions containing compounds of formula I, and their use, for treating a patient suffering from, or subject to, a physiological condition which can be ameliorated by the administration of an inhibitor of the activity of Factor Xa.

  本文中的I式化合物表现出有用的药理活性，因此被纳入制药组合物中，并用于治疗患有某些医学疾病的患者。更具体地说，它们是Factor Xa活性的抑制剂。本发明涉及I式化合物、含有I式化合物的组合物以及它们的使用，用于治疗患有或受到生理状况影响的患者，这些状况可以通过给予Factor Xa活性抑制剂的治疗得到改善。
• SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS
  申请人：AVENTIS PHARMACEUTICALS INC.

  公开号：EP1086099B1

  公开（公告）日：2005-09-28
• US6281227B1
  申请人：——

  公开号：US6281227B1

  公开（公告）日：2001-08-28