4-cyanomethyl-imidazole-1-carboxylic acid tert-butyl ester

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-cyanomethyl-imidazole-1-carboxylic acid tert-butyl ester
• 英文别名: 4-Cyanomethyl-imidazole-l-carboxylic acid tert-butyl ester；tert-butyl 4-(cyanomethyl)imidazole-1-carboxylate
• 化学式: C₁₀H₁₃N₃O₂
• 分子量: 207.232
• InChiKey: SMPUPOHTOSNWHH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  67.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-cyanomethyl-imidazole-1-carboxylic acid tert-butyl ester 、 4-甲氧基-3-甲基苄醇 在 N,N-二异丙基乙胺 、 甲基磺酸酐 、 水 作用下， 以 二氯甲烷 为溶剂， 反应 1.5h， 以41%的产率得到[3-(4-Methoxy-3-methyl-benzyl)-3H-imidazol-4-yl]-acetonitrile
  参考文献：
  名称：

  Dihydro-2h-napthalene-1-one inhibitors of ras farnesyl transferase

  摘要：

  本发明提供了式（V）的二氢-2H-萘酮，以及其药学上可接受的盐、酯、酰胺和前药，用于治疗和预防组织的不受控制或异常增殖，如癌症、动脉粥样硬化、再狭窄和牛皮癣。具体而言，本发明涉及抑制法尼基转移酶酶的化合物。

  公开号：

  US20030232790A1
• 作为产物：
  描述：

  二碳酸二叔丁酯 、 4(5)-腈甲基咪唑 以 甲醇 、 异丙醚 为溶剂， 以27%的产率得到4-cyanomethyl-imidazole-1-carboxylic acid tert-butyl ester
  参考文献：
  名称：

  Method for treating Alzheimer's disease

  摘要：

  本发明提供了通过给予一种farnesyl转移酶抑制剂来抑制Aβ合成和治疗阿尔茨海默病的方法和组合物，该抑制剂的化学式为：1其中R为氢、烷基和取代烷基；R1为氢、苯基或取代苯基；R2为氢或苄基。

  公开号：

  US20010051642A1

文献信息

• Method for treating Alzheimer's disease
  申请人：——

  公开号：US20010051642A1

  公开（公告）日：2001-12-13

  The present invention provides methods and compositions for inhibiting A&bgr; synthesis and for treating Alzheimer's disease by administering a farnesyl transferase inhibitor of the formula: 1 wherein R is hydrogen, alkyl, and substituted alkyl; R 1 is hydrogen, phenyl, or substituted phenyl; and R 2 is hydrogen or benzyl.

  本发明提供了通过给予一种farnesyl转移酶抑制剂来抑制Aβ合成和治疗阿尔茨海默病的方法和组合物，该抑制剂的化学式为：1其中R为氢、烷基和取代烷基；R1为氢、苯基或取代苯基；R2为氢或苄基。
• Dihydro-2H-naphthalene-1-one inhibitors of ras farnesyl transferase
  申请人：——

  公开号：US20040171844A1

  公开（公告）日：2004-09-02

  Disclosed are compounds of the Formula I 1 wherein: R a , R b , and R c are the same or different and represent hydrogen, (C 1 -C 6 )-alkyl, (C 2 -C 6 )-alkenyl, unsubstituted aryl, unsubstituted heteroaryl, unsubstituted arylalkyl, or unsubstituted heteroarylalkyl; R 1 and R 2 are the same or different and represent hydrogen, (C 1 -C 6 )-alkyl, (C 2 -C 6 )-alkenyl, unsubstituted aryl, unsubstituted heteroaryl, unsubstituted arylalkyl, or unsubstituted heteroarylalkyl; n is 0, 2, or 3, provided that when the imidazole is attached at the imidazole nitrogen to (CR a R b ) n and Y is O, NR c , or S, then n is not 0; Y is NR c , O, —CHR c , or S; and R 3 is unsubstituted aryl, unsubstituted heteroarylalkyl or unsubstituted arylalkyl. The present invention also provides a pharmaceutically acceptable composition that comprises a compound of Formula I. The present invention also provides a method of treating or preventing restenosis, atherosclerosis or cancer, the method comprising administering to a patient having restenosis, atherosclerosis or cancer, or at risk of having restenosis, atherosclerosis or cancer, a therapeutically effective amount of Formula I. Also provided is a method of treating or preventing restenosis or atherosclerosis, or treating cancer, the method of comprising administering to a patient having restenosis or atherosclerosis, or at risk of having restenosis or atherosclerosis, or having cancer a therapeutically effective amount of a compound of Formula I.

  公开了式I1的化合物，其中：Ra，Rb和Rc相同或不同，代表氢，（C1-C6）-烷基，（C2-C6）-烯基，未取代芳基，未取代杂环芳基，未取代芳基烷基或未取代杂环芳基烷基；R1和R2相同或不同，代表氢，（C1-C6）-烷基，（C2-C6）-烯基，未取代芳基，未取代杂环芳基，未取代芳基烷基或未取代杂环芳基烷基；n为0、2或3，但当咪唑连接在咪唑氮上，并且Y为O、NRc或S时，n不为0；Y为NRc、O、—CHRc或S；且R3为未取代芳基、未取代杂环芳基烷基或未取代芳基烷基。本发明还提供了一种药学上可接受的组合物，其包括式I的化合物。本发明还提供了一种治疗或预防再狭窄、动脉粥样硬化或癌症的方法，该方法包括向患有再狭窄、动脉粥样硬化或癌症或有再狭窄、动脉粥样硬化或癌症风险的患者，或者向患有再狭窄或动脉粥样硬化或有再狭窄或动脉粥样硬化风险的患者，或者向患有癌症的患者，给予式I的化合物的治疗有效量。还提供了一种治疗或预防再狭窄或动脉粥样硬化，或治疗癌症的方法，该方法包括向患有再狭窄或动脉粥样硬化或有再狭窄或动脉粥样硬化风险的患者或患有癌症的患者，给予式I的化合物的治疗有效量。
• DIHYDRO-2H-NAPHTHALENE-1-ONE INHIBITORS OF RAS FARNESYL TRANSFERASE
  申请人：WARNER-LAMBERT COMPANY

  公开号：EP1276724A2

  公开（公告）日：2003-01-22
• [EN] DIHYDRO-2H-NAPHTHALENE-1-ONE INHIBITORS OF RAS FARNESYL TRANSFERASE<br/>[FR] INHIBITEURS DIHYDRO-2H-NAPHTALENE-1-ONE DE LA FARNESYLTRANSFERASE
  申请人：WARNER LAMBERT CO

  公开号：WO2001079179A2

  公开（公告）日：2001-10-25

  The present invention provides dihydro-2H-napthalene-1-ones of formula (V), and pharmaceutically acceptable salts, esters, amides, and prodrugs thereof, which are useful for treating and preventing uncontrolled or abnormal proliferation of tissues, such as cancer, atherosclerosis, restenosis, and psoriasis. Specifically, the present invention relates to compounds that inhibit the farnesyl transferase enzyme.
• Dihydro-2h-napthalene-1-one inhibitors of ras farnesyl transferase
  申请人：——

  公开号：US20030232790A1

  公开（公告）日：2003-12-18

  The present invention provides dihydro-2H-napthalene-1-ones of formula (V), and pharmaceutically acceptable salts, esters, amides, and prodrugs thereof, which are useful for treating and preventing uncontrolled or abnormal proliferation of tissues, such as cancer, atherosclerosis, restenosis, and psoriasis. Specifically, the present invention relates to compounds that inhibit the farnesyl transferase enzyme. 1

  本发明提供了式（V）的二氢-2H-萘酮，以及其药学上可接受的盐、酯、酰胺和前药，用于治疗和预防组织的不受控制或异常增殖，如癌症、动脉粥样硬化、再狭窄和牛皮癣。具体而言，本发明涉及抑制法尼基转移酶酶的化合物。