4-(1-trityl-1H-imidazol-4-ylmethyl)-benzonitrile | 169503-35-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• 英文名称: 4-(1-trityl-1H-imidazol-4-ylmethyl)-benzonitrile
• 英文别名: 4-((1-trityl-1H-imidazol-4-yl)-methyl)-benzonitrile；4-(1-trityl-1H-imidazol-4-ylmethyl)benzonitrile；1-Trityl-4-(4-Cyanobenzyl)-imidazole；1-trityl-4-(4-cyanobenzyl) imidazole；1-trityl-4-(4-cyanobenzyl)imidazole；4-[(1-tritylimidazol-4-yl)methyl]benzonitrile
• CAS: 169503-35-9
• 化学式: C₃₀H₂₃N₃
• 分子量: 425.533
• InChiKey: MZIXZACJCHNPNB-UHFFFAOYSA-N

物化性质

• 沸点：
  602.8±43.0 °C(Predicted)
• 密度：
  1.09±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.5
• 重原子数：
  33
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  41.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-(1-trityl-1H-imidazol-4-ylmethyl)-benzonitrile 在 镍 氨 、 氢气 作用下， 以 甲醇 为溶剂， 以85%的产率得到4-(1-Trityl-1H-imidazol-4-ylmethyl)-benzylamine
  参考文献：
  名称：

  Identification of a novel, orally bioavailable histamine H 3 receptor antagonist based on the 4-benzyl-(1 H -imidazol-4-yl) template

  摘要：

  A novel series of histamine H-3 receptor antagonists, based on the 4-benzyl-(1H-imidazole-4-yl) template, incorporating urea and carbamate linkers has been prepared. Compound 3j is a selective H-3 antagonist and demonstrates excellent oral plasma levels in the rat and monkey. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00055-0
• 作为产物：
  描述：

  1-三苯甲基-4-碘咪唑 在 偶氮二异丁腈 、 乙基溴化镁 、 三正丁基氢锡 、 di(1H-imidazol-2-yl)methanethione 作用下， 生成 4-(1-trityl-1H-imidazol-4-ylmethyl)-benzonitrile
  参考文献：
  名称：

  4-[（（1H-咪唑-4-基）甲基]苯甲idine和苄am：组胺H3受体的新型拮抗剂。

  摘要：

  基于已知的H3激动剂SK＆F 91606（4），已合成了一系列of基取代的苯基，苄基和苯乙基咪唑，并作为组胺H3受体的配体进行了测试。在咪唑环和the部分之间插入苯环会产生拮抗剂。发现苄基系列是最有效的，并作了进一步研究。化合物9c和18（表1的条目5和12）是H3受体的有效配体，其K（i）值分别为16 nM和7.2 nM。在体内，两种化合物均显示出与标准H3拮抗剂硫代过酰胺（2）等效。

  DOI：

  10.1016/s0960-894x(98)00399-0

文献信息

• Inhibitors of farnesyl-protein transferase
  申请人：Merck & Co., Inc.

  公开号：US06001835A1

  公开（公告）日：1999-12-14

  The present invention is directed to compounds which inhibit farnesyl-protein transferase (FTase) and the farnesylation of the oncogene protein Ras. The invention is further directed to chemotherapeutic compositions containing the compounds of this invention and methods for inhibiting farnesyl-protein transferase and the farnesylation of the oncogene protein Ras.

  本发明涉及抑制法尼基-蛋白转移酶（FTase）和致癌基因蛋白Ras的法尼醇化的化合物。该发明进一步涉及含有本发明化合物的化疗组合物以及用于抑制法尼基-蛋白转移酶和致癌基因蛋白Ras的法尼醇化的方法。
• Method of treating cancer
  申请人：——

  公开号：US20030220241A1

  公开（公告）日：2003-11-27

  The present invention relates to methods of treating cancer using a combination of a compound which is a PSA conjugate and a compound which is a inhibitor of prenyl-protein transferase, which methods comprise administering to said mammal, either sequentially in any order or simultaneously, amounts of at least two therapeutic agents selected from a group consisting of a compound which is a PSA conjugate and a compound which is a inhibitor of prenyl-protein transferase. The invention also relates to methods of preparing such compositions.

  本发明涉及使用一种PSA共轭物和一种前脂蛋白转移酶抑制剂的组合治疗癌症的方法，该方法包括向所述哺乳动物施用来自以下组中选择的至少两种治疗剂的量，所述组包括一种PSA共轭物和一种前脂蛋白转移酶抑制剂，所述治疗剂可以顺序给药或同时给药。该发明还涉及制备这种组合物的方法。
• Design, synthesis, and activity of achiral analogs of 2-quinolones and indoles as non-thiol farnesyltransferase inhibitors
  作者：Qun Li、Keith W. Woods、Weibo Wang、Nan-Horng Lin、Akiyo Claiborne、Wen-zhen Gu、Jerry Cohen、Vincent S. Stoll、Charles Hutchins、David Frost、Saul H. Rosenberg、Hing L. Sham

  DOI：10.1016/j.bmcl.2005.02.062

  日期：2005.4

  Beginning with the structure of tipifarnib (1), a series of inhibitors of FTase have been synthesized by transposition of the D-ring to the imidazole and subsequent modification of the 2-quinolone motif. The compounds in the new series may be achiral and have structural features that allow for analogs that are difficult or impossible to make in the tertiary carbon-based tipifarnib series. The most

  从替非法尼（1）的结构开始，已通过将D环转位至咪唑并随后修饰了2-喹诺酮基序，合成了一系列FTase抑制剂。新系列中的化合物可能是非手性的，其结构特征使得难以或不可能在基于叔碳的替非法尼系列中制备类似物。最有效的化合物（4d）在体外对FTase的活性是Tipifarnib的4倍。
• Inhibitors of prenyl-protein transferase
  申请人：Merck & Co., Inc.

  公开号：US06127390A1

  公开（公告）日：2000-10-03

  The present invention is directed to compounds which inhibit prenyl-protein transferase (FTase) and the prenylation of the oncogene protein Ras. The invention is further directed to chemotherapeutic compositions containing the compounds of this invention and methods for inhibiting prenyl-protein transferase and the prenylation of the oncogene protein Ras.

  本发明涉及抑制戊二醇蛋白转移酶（FTase）和致癌基因蛋白Ras的预醇化的化合物。该发明进一步涉及含有本发明化合物的化疗组合物以及抑制戊二醇蛋白转移酶和致癌基因蛋白Ras的方法。
• Arylheteroaryl inhibitors of farnesyl-protein transferase
  申请人：Merck & Co., Inc.

  公开号：US05872136A1

  公开（公告）日：1999-02-16

  The present invention is directed to compounds which inhibit farnesyl-protein transferase (FTase) and the farnesylation of the oncogene protein Ras. The invention is further directed to chemotherapeutic compositions containing the compounds of this invention and methods for inhibiting farnesyl-protein transferase and the farnesylation of the oncogene protein Ras.

  本发明涉及抑制法尼基-蛋白转移酶（FTase）和致癌基因蛋白Ras的法尼酰化的化合物。该发明进一步涉及含有本发明化合物的化疗组合物以及抑制法尼基-蛋白转移酶和致癌基因蛋白Ras法尼酰化的方法。