3H-benzoimidazole-5-carboxylic acid (1-methyl-piperidine-4-yl)-amide | 1154733-05-7

• 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: 3H-benzoimidazole-5-carboxylic acid (1-methyl-piperidine-4-yl)-amide
• 英文别名: 3H-benzoimidazole-5-carboxylic acid (1-methyl-piperidin-4-yl)-amide；3H-benzimidazole-5-carboxylic acid (1-methyl-piperidin-4-yl)-amide；N-(1-methylpiperidin-4-yl)-1H-1,3-benzodiazole-6-carboxamide；N-(1-methylpiperidin-4-yl)-1H-benzimidazole-6-carboxamide；N-(1-methylpiperidin-4-yl)-3H-benzimidazole-5-carboxamide
• CAS: 1154733-05-7
• 化学式: C₁₄H₁₈N₄O
• 分子量: 258.323
• InChiKey: KJYLPDCWEHFLJE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  61
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  、 1H-苯并咪唑-5-羧酸 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 1-羟基苯并三唑 、 1-Boc-4-氨基哌啶 、 N,N-二异丙基乙胺 在 乙酸乙酯 、 disodium;carbonate 、 水 、 Brine 、 magnesium sulfate 作用下， 以 二氯甲烷 为溶剂， 反应 3.17h， 以to give 3H-benzoimidazole-5-carboxylic acid (1-methyl-piperidin-4-yl)-amide的产率得到3H-benzoimidazole-5-carboxylic acid (1-methyl-piperidine-4-yl)-amide
  参考文献：
  名称：

  IMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF CYCLIN DEPENDENT KINASES

  摘要：

  本发明提供了式（I）的化合物及其盐，互变异构体，溶剂合物和N-氧化物；其中Q为CH或N；X为N，N+—O−或CR3；Y为N，N+—O−或CR3a；R1和R2分别选自氢和定义在权利要求中的各种取代基；或者R1和R2与它们附着的原子一起连接形成一个可选取代的4到7个成员的碳环芳香族或杂环芳香族或非芳香族环；R3选自氢和各种取代基；而R3a选自氢和定义在权利要求中的各种取代基。还提供了含有式（I）化合物的药物组合物，制备化合物的过程以及化合物的医药用途。式（I）化合物具有作为CDK激酶抑制剂的活性，并可用于治疗增殖性疾病，如癌症等。

  公开号：

  US20120101064A1

文献信息

• [EN] IMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF CYCLIN DEPENDENT KINASES<br/>[FR] DÉRIVÉS D'IMIDAZOLE ET LEUR UTILISATION COMME MODULATEURS DES KINASES DÉPENDANTES DES CYCLINES
  申请人：NOVARTIS AG

  公开号：WO2010125402A1

  公开（公告）日：2010-11-04

  The invention provides compounds of the formula (I): and salts, tautomers, solvates and N-oxides thereof; wherein Q is CH or N; X is N, N+-O- or CR3; Y is N, N+-O- or CR3a; R1 and R2 are independently selected from hydrogen and various substituents as defined in the claims; or R1 and R2 together with the atoms to which they are attached, link to form an optionally substituted carbocyclic or heterocyclic aromatic or non-aromatic ring of 4 to 7 members; R3 is selected from hydrogen and various substituents; and R3a is selected from hydrogen and various substituents as defined in the claims. Also provided are pharmaceutical compositions containing the compounds of formula (I), processes for making the compounds and the medical uses of the compounds. The compounds of formula (I) have activity as inhibitors of CDK kinases and are useful in the treatment of inter alia proliferative diseases such as cancers.

  该发明提供了式(I)的化合物及其盐、互变异构体、溶剂合物和N-氧化物；其中Q为CH或N；X为N、N+-O-或CR3；Y为N、N+-O-或CR3a；R1和R2分别选自氢和各种定义中的取代基；或R1和R2与它们连接的原子一起，形成一个可选择地取代的含氢碳环或杂环芳香或非芳香环，成员数为4到7；R3选自氢和各种取代基；R3a选自氢和各种定义中的取代基。还提供了含有式(I)的化合物的药物组合物，制备该化合物的方法以及该化合物的医药用途。式(I)的化合物具有作为CDK激酶抑制剂的活性，并可用于治疗癌症等增殖性疾病。
• Modulation of inflammatory and metastatic processes
  申请人：Heise Carla

  公开号：US20050239825A1

  公开（公告）日：2005-10-27

  Methods of using compounds having Structure I or the salts or tautomers of the compounds in the treatment of disorders relating to cell adhesion and metastatic processes are presented herein.

  本文介绍了使用具有结构I的化合物或该化合物的盐或互变异构体来治疗与细胞黏附和转移过程相关的疾病的方法。
• Pharmaceutically acceptable salts of quinolinone compounds having improved pharmaceutical properties
  申请人：Cai Shaopei

  公开号：US20050209247A1

  公开（公告）日：2005-09-22

  A lacate salt of a compound of Formula I or a tautomer of the compound, wherein Formula I has the following structure and R 1 -R 9 and R 12 -R 14 are as defined herein

  一种化合物I的乳酸盐或其互变异构体，其中化合物I具有以下结构，R1-R9和R12-R14如此处所定义。
• PHARMACEUTICALLY ACCEPTABLE SALTS OF QUINOLINONE COMPOUNDS HAVING IMPROVED PHARMACEUTICAL PROPERTIES
  申请人：Cai Shaopei

  公开号：US20130018058A1

  公开（公告）日：2013-01-17

  A lacate salt of a compound of Formula I or a tautomer of the compound, wherein Formula I has the following structure and R 1 -R 9 and R 12 -R 14 are as defined herein

  一种化合物I的乳酸盐或其互变异构体，其中化合物I具有以下结构，R1-R9和R12-R14如此定义。
• Imidazole derivatives and their use as modulators of cyclin dependent kinases
  申请人：Howard Steven

  公开号：US08598217B2

  公开（公告）日：2013-12-03

  The invention provides compounds of the formula (I): and salts, tautomers, solvates and N-oxides thereof; wherein Q is CH or N; X is N, N+—O− or CR3; Y is N, N+—O− or CR3a; R1 and R2 are independently selected from hydrogen and various substituents as defined in the claims; or R1 and R2 together with the atoms to which they are attached, link to form an optionally substituted carbocyclic or heterocyclic aromatic or non-aromatic ring of 4 to 7 members; R3 is selected from hydrogen and various substituents; and R3a is selected from hydrogen and various substituents as defined in the claims. Also provided are pharmaceutical compositions containing the compounds of formula (I), processes for making the compounds and the medical uses of the compounds. The compounds of formula (I) have activity as inhibitors of CDK kinases and are useful in the treatment of inter alia proliferative diseases such as cancers.

  本发明提供了公式（I）的化合物及其盐、互变异构体、溶剂合物和N-氧化物；其中Q为CH或N；X为N、N+—O−或CR3；Y为N、N+—O−或CR3a；R1和R2独立地选择氢和各种取代基，如权利要求中所定义的；或者R1和R2与它们所连接的原子一起，链接形成一个选择性取代的4到7个成员的碳环或杂环芳香或非芳香环；R3选择氢和各种取代基；R3a选择氢和各种取代基，如权利要求中所定义的。还提供了含有公式（I）化合物的制药组合物、制备化合物的方法以及化合物的医药用途。公式（I）化合物具有作为CDK激酶抑制剂的活性，并且在治疗增殖性疾病，如癌症等方面是有用的。