3-(1H-咪唑-2-基)苯甲腈 | 488115-43-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 3-(1H-咪唑-2-基)苯甲腈
• 英文名称: 3-(1H-imidazol-2-yl)benzonitrile
• 英文别名: 3-cyano-(1H-imidazol-2-yl)benzene
• CAS: 488115-43-1
• 化学式: C₁₀H₇N₃
• mdl: MFCD08668830
• 分子量: 169.186
• InChiKey: QERNRIRJJZUTJA-UHFFFAOYSA-N

物化性质

• 沸点：
  415.5±28.0 °C(Predicted)
• 密度：
  1.27±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  52.5
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2933290090
• 危险性防范说明：
  P261,P264,P270,P271,P280,P301+P312,P302+P352,P304+P340,P305+P351+P338,P330,P332+P313,P337+P313,P362,P403+P233,P405,P501
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  (7R)-2-氯-7-乙基-7,8-二氢-5-甲基-8-(1-甲基乙基)-6(5H)-蝶啶酮 、 3-(1H-咪唑-2-基)苯甲腈 生成 (R)-3-(1-(7-ethyl-8-isopropyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl)-1H-imidazol-2-yl)benzonitrile
  参考文献：
  名称：

  INHIBITORS OF POLO-LIKE KINASE

  摘要：

  本发明提供了具有以下结构的化合物（I）的盐或溶剂，其中环A、E1、E2、R1、R2、R3和R4在此定义。本发明还提供了包括本发明化合物的制药组合物以及使用本发明化合物和组合物的方法，例如在治疗和预防各种疾病，如帕金森病方面的应用。

  公开号：

  US20110207716A1

文献信息

• Heteroaryl substituted fused bicyclic heteroaryl compound as GABAA receptor ligands
  申请人：——

  公开号：US20030207885A1

  公开（公告）日：2003-11-06

  This invention relates to heteroaryl substituted fused bicyclic heteroaryl compounds, such as heteroaryl substituted imidazopyridines, imidazopyrazines, imidazopyridizines, imidazopyrimidines, and imidazothiazoles, which may be described by Formula I or Formula II: 1 The invention is particularly related to such compounds that bind with high selectivity and high affinity to the benzodiazepine site of GABA A receptors. This invention also relates to pharmaceutical compositions comprising such compounds and to the use of such compounds in treatment of certain central nervous system (CNS) diseases. Processes for preparing compounds of Formula I and Formula II are disclosed. This invention also relates to the use of benzimidazoles, pyridylimidazoles and related bicyclic heteroaryl compounds of Formula I or Formula II in combination with one or more other CNS agents to potentiate the effects of the other CNS agents. Additionally this invention relates to the use such compounds as probes for the localization of GABA A receptors in tissue sections.

  本发明涉及杂环取代的融合双环杂环化合物，例如杂环取代的咪唑吡啶、咪唑吡嗪、咪唑吡二嗪、咪唑嘧啶和咪唑噻唑，可以用公式I或公式II描述：1本发明特别涉及与GABAA受体的苯二氮卓位点高选择性和高亲和力结合的这些化合物。本发明还涉及包含这些化合物的制药组合物以及使用这些化合物治疗某些中枢神经系统（CNS）疾病的用途。公开了制备公式I和公式II化合物的方法。本发明还涉及使用苯并咪唑、吡啶基咪唑和相关的公式I或公式II的双环杂环化合物与一个或多个其他CNS药物结合，以增强其他CNS药物的作用。此外，本发明还涉及使用这些化合物作为探针来定位组织切片中的GABAA受体。
• Heteroaryl substituted fused bicyclic heteroaryl compounds as GABAA receptor ligands
  申请人：Hutchison Alan

  公开号：US20060014746A1

  公开（公告）日：2006-01-19

  This invention relates to heteroaryl substituted fused bicyclic heteroaryl compounds, such as heteroaryl substituted imidazopyridines, imidazopyrazines, imidazopyridizines, imidazopyrimidines, and imidazothiazoles, which may be described by Formula I or Formula II: The invention is particularly related to such compounds that bind with high selectivity and high affinity to the benzodiazepine site of GABA A receptors. This invention also relates to pharmaceutical compositions comprising such compounds and to the use of such compounds in treatment of certain central nervous system (CNS) diseases. Processes for preparing compounds of Formula I and Formula II are disclosed. This invention also relates to the use of benzimidazoles, pyridylimidazoles and related bicyclic heteroaryl compounds of Formula I or Formula II in combination with one or more other CNS agents to potentiate the effects of the other CNS agents. Additionally this invention relates to the use such compounds as probes for the localization of GABA A receptors in tissue sections.

  该发明涉及杂环取代融合双环杂环化合物，例如杂环取代咪唑吡啶、咪唑吡嗪、咪唑吡咯、咪唑嘧啶和咪唑噻唑等，可由式I或式II描述：该发明特别涉及与GABAA受体的苯二氮平位点高度选择性和高亲和力结合的这种化合物。该发明还涉及包含这种化合物的药物组合物以及使用这种化合物治疗某些中枢神经系统（CNS）疾病的用途。公开了制备式I和式II化合物的方法。此外，该发明还涉及将苯并咪唑、吡啶基咪唑和相关的式I或式II双环杂环化合物与一个或多个其他CNS药剂联合使用以增强其他CNS药剂的效果。此外，该发明还涉及使用这些化合物作为探针来定位组织切片中的GABAA受体。
• Inhibitors of Polo-Like Kinase
  申请人：Galemmo, JR. Robert A.

  公开号：US20120115848A1

  公开（公告）日：2012-05-10

  The present invention provides compounds having a structure according to Formula (I): or a salt or solvate thereof, wherein ring A, U 1 , U 2 , U 3 , R 2 , R 3 and R 4 are defined herein. The invention further provides pharmaceutical compositions including the compounds of the invention and methods of making and using the compounds and compositions of the invention, e.g., in the treatment and prevention of various disorders, such as Parkinson's disease.

  本发明提供具有以下结构的化合物（I）或其盐或溶剂化物，其中环A、U1、U2、U3、R2、R3和R4如本文所定义。该发明还提供包括该发明化合物的制药组合物以及制备和使用该发明化合物和组合物的方法，例如用于治疗和预防各种疾病，如帕金森病。
• Inhibitors of polo-like kinase
  申请人：Galemmo Robert A.

  公开号：US08541418B2

  公开（公告）日：2013-09-24

  The present invention provides compounds having a structure according to Formula (I): or a salt or solvate thereof, wherein ring A, E1, E2, R1, R2, R3 and R4 are defined herein. The invention further provides pharmaceutical compositions including the compounds of the invention and methods of making and using the compounds and compositions of the invention, e.g., in the treatment and prevention of various disorders, such as Parkinson's disease.

  本发明提供具有以下结构的化合物（I）或其盐或溶剂化物，其中环A、E1、E2、R1、R2、R3和R4在此定义。本发明还提供包括本发明化合物的制药组合物以及制备和使用本发明化合物和组合物的方法，例如在治疗和预防各种疾病，如帕金森病中的应用。
• Impact on farnesyltransferase inhibition of 4-chlorophenyl moiety replacement in the Zarnestra® series
  作者：Patrick Angibaud、Laurence Mevellec、Christophe Meyer、Xavier Bourdrez、Patricia Lezouret、Isabelle Pilatte、Virginie Poncelet、Bruno Roux、Sophie Merillon、David W. End、Jacky Van Dun、Walter Wouters、Marc Venet

  DOI：10.1016/j.ejmech.2006.12.007

  日期：2007.5

  Based on the structure of R 115777 (tipifarnib, Zarnestra (R)), a series of farnesyltransferase inhibitors have been synthesized by modification of the 2-quinolinone motif and transposition of the 4-chlorophenyl ring to the imidazole or its replacement by 5-membered rings. This has yielded a novel series of potent farnesyltransferase inhibitors. (c) 2007 Elsevier Masson SAS. All rights reserved.