4-[alpha-(4-cyanophenyl)-1-imidazolylmethyl]-benzonitrile

• 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-[alpha-(4-cyanophenyl)-1-imidazolylmethyl]-benzonitrile
• 英文别名: 4-[[2-(4-Cyanophenyl)imidazol-1-yl]methyl]benzonitrile
• 化学式: C₁₈H₁₂N₄
• 分子量: 284.32
• InChiKey: BKDZRWASZBYFQO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  65.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  对氟苯腈 、 甲烷 、 4-(1H-咪唑-1-基甲基)苯腈 在 盐酸 、 ammonium hydroxide 、 potassium tert-butylate 作用下， 以 N-甲基乙酰胺 为溶剂， 生成 4-[alpha-(4-cyanophenyl)-1-imidazolylmethyl]-benzonitrile
  参考文献：
  名称：

  Alpha-heterocyclc substituted tolunitriles

  摘要：

  该发明涉及式I的芳香化酶抑制化合物##STR1##其中R和Ro代表氢或较低的烷基；或R和Ro位于相邻的碳原子上，当与它们连接的苯环结合时形成萘或四氢萘环；R.sub.1和R.sub.2独立地代表氢、较低的烷基、(较低的烷基、芳基或芳基-较低的烷基)-硫、较低的烯基、芳基、芳基-较低的烷基、C.sub.3-C.sub.6-环烷基或C.sub.3-C.sub.6-环烷基-较低的烷基；或R.sub.1和R.sub.2结合代表较低的烷基亚甲基、单芳基或双芳基-较低的烷基亚甲基；R.sub.1和R.sub.2结合还代表C.sub.4-C.sub.6-直链烷基、较低的烷基取代的直链烷基或邻苯二甲基桥联的C.sub.2-C.sub.4-直链烷基，每个与其连接的碳原子形成相应的可选择取代或苯并5、6或7-成员环；W代表1-咪唑基、1-(1,2,4-或1,3,4)-三唑基或3-吡啶基；或W代表1-咪唑基、1-(1,2,4或1,3,4)-三唑基或3-吡啶基，其被较低的烷基取代；以及其药学上可接受的盐。

  公开号：

  US04978672A1

文献信息

• [EN] USE OF AN AROMATASE INHIBITOR FOR THE TREATMENT OF HYPOGONADISM AND RELATED DISEASES<br/>[FR] UTILISATION D'UN INHIBITEUR D'AROMATASE POUR LE TRAITEMENT DE L'HYPOGONADISME ET DE MALADIES APPARENTÉES
  申请人：NOVARTIS AG

  公开号：WO2013036562A1

  公开（公告）日：2013-03-14

  This invention relates to a method of increasing testosterone levels and treating hypogonadism and related diseases with the aromatase inhibitor 4,4'-[fluoro-(1-H-1,2,4-triazol-1-yl)methylene]bisbenzonitrile. The present invention further relates to a method of increasing testosterone levels and treating hypogonadism and related diseases with the aromatase inhibitor 4,4'-[fluoro-(1-H-1,2,4-triazol-1-yl)methylene]bisbenzonitrile in a particular dosing regimen. The invention also relates to pharmaceutical compositions comprising said aromatase inhibitor 4,4'-[fluoro-(1-H-1,2,4-triazol-1-yl)methylene]bisbenzonitrile, optionally in combination with other active ingredients. Furthermore, the present invention relates to kits comprising said pharmaceutical compositions together with instructions how to administer them.

  本发明涉及一种使用芳香酶抑制剂4,4'-[氟-(1-H-1,2,4-三唑-1-基)亚甲基]双苯腈来提高睾酮水平并治疗低睾酮血症及相关疾病的方法。本发明进一步涉及在特定的剂量方案下，使用芳香酶抑制剂4,4'-[氟-(1-H-1,2,4-三唑-1-基)亚甲基]双苯腈来提高睾酮水平并治疗低睾酮血症及相关疾病的方法。本发明还涉及包含所述芳香酶抑制剂4,4'-[氟-(1-H-1,2,4-三唑-1-基)亚甲基]双苯腈的药物组合物，可选地与其他活性成分结合使用。此外，本发明还涉及包含所述药物组合物以及使用说明的试剂盒。
• Alpha-heterocycle substituted tolunitriles
  申请人：Ciba-Geigy Corporation

  公开号：US04749713A1

  公开（公告）日：1988-06-07

  The invention is concerned with aromatase inhibiting compounds of formula I ##STR1## where R and Ro represent hydrogen or lower alkyl; or R and Ro located on adjacent carbon atoms and together when combined with the benzene ring to which they are attached form a naphthalene or tetrahydronaphthalene ring; R.sub.1 and R.sub.2 independently represent hydrogen, lower alkyl, (lower alkyl, aryl or aryl-lower alkyl)-thio, lower alkenyl, aryl, aryl-lower alkyl, C.sub.3 -C.sub.6 -cycloalkyl, or C.sub.3 -C.sub.6 -cycloalkyl-lower alkyl; or R.sub.1 and R.sub.2 combined represent lower alkylidene, mono- or di-aryl-lower alkylidene; R.sub.1 and R.sub.2 combined also represent C.sub.4 -C.sub.6 -straight chain alkylene, lower alkyl-substituted straight chain alkylene or ortho-phenylene bridged-C.sub.2 -C.sub.4 -straight chain alkylene, each forming with the carbon atom attached thereto a corresponding optionally substituted or benzo-fused 5, 6 or 7-membered ring; W represents 1-imidazolyl, 1-(1,2,4- or 1,3,4)-triazolyl or 3-pyridyl; or W represents 1-imidazolyl, 1-(1,2,4 or 1,3,4)-triazolyl or 3-pyridyl substituted by lower alkyl; and pharmaceutically acceptable salts thereof.

  本发明涉及化学式I的芳香化酶抑制化合物##STR1##其中R和Ro代表氢或较低的烷基；或R和Ro位于相邻的碳原子上，当与它们连接的苯环结合时形成萘或四氢萘环；R.sub.1和R.sub.2独立表示氢、较低的烷基、(较低的烷基、芳基或芳基-较低的烷基)-硫、较低的烯基、芳基、芳基-较低的烷基、C.sub.3 -C.sub.6 -环烷基或C.sub.3 -C.sub.6 -环烷基-较低的烷基；或R.sub.1和R.sub.2结合表示较低的烷基亚甲基、单芳基或双芳基-较低的烷基亚甲基；R.sub.1和R.sub.2结合还表示C.sub.4 -C.sub.6 -直链烷基、较低的烷基取代的直链烷基或邻苯二甲基桥联的C.sub.2 -C.sub.4 -直链烷基，每个与其连接的碳原子形成相应的可选择取代或苯并-5、6或7-成员环；W代表1-咪唑基、1-(1,2,4-或1,3,4)-三唑基或3-吡啶基；或W代表1-咪唑基、1-(1,2,4或1,3,4)-三唑基或3-吡啶基，其取代为较低的烷基；以及其药学上可接受的盐。
• Aromatase inhibition to enhance assisted reproduction
  申请人：ARES TRADING S.A.

  公开号：EP1759734A2

  公开（公告）日：2007-03-07

  The use of at least one aromatase inhibitor in the production of a medicament for improving the implantation and pregnancy rates for a female undergoing assisted reproduction treatment, which comprises one or more daily doses of an aromatase inhibitor (Al) for administration during assisted reproduction cycles or ovarian stimulation cycles, wherein the doses of AI are selected from amounts effective to reduce serum estradiol levels. Also disclosed are related pharmaceutical preparations and packages.

  使用至少一种芳香化酶抑制剂生产一种药物，用于提高接受辅助生殖治疗的女性的着床率和妊娠率，该药物包括一种或多种每日剂量的芳香化酶抑制剂（Al），用于在辅助生殖周期或卵巢刺激周期期间给药，其中AI的剂量选自有效降低血清雌二醇水平的量。还公开了相关的药物制剂和包装。
• Pharmaceutical compositions comprising an aromatse inhibitors
  申请人：MEREO BIOPHARMA 2 LIMITED

  公开号：US10064844B2

  公开（公告）日：2018-09-04

  The present invention relates to low-dose pharmaceutical compositions comprising the aromatase inhibitor 4,4′-[fluoro-(1-H-1,2,4-triazol-1-yl)methylene]bisbenzonitrile, as the active ingredient in a suitable carrier. The present invention also relates to a process for their preparation and to their use as medicaments.

  本发明涉及以芳香化酶抑制剂 4,4′-[氟-(1-H-1,2,4-三唑-1-基)亚甲基]双苯腈为活性成分、以适当载体为载体的低剂量药物组合物。本发明还涉及其制备工艺及其作为药物的用途。
• Single dose aromatase inhibitor for treating infertility
  申请人：——

  公开号：US20040171660A1

  公开（公告）日：2004-09-02

  The use of an aromatase inhibitor (AI) in the preparation of a medicament for use in inducing ovulation in a female suffering from anovulatory infertility which comprises administering to said female a single dose of the at least one aromatase inhibitor. The use of an aromatase inhibitor (AI) for the preparation of a medicament comprising a single dose of at least one aromatase inhibitor (AI) for administration to an ovulating female suffering from unexplained infertility or other types of ovulatory infertility early in one or more menstrual cycles. Such a medicament may also be administered to an anovulatory female in combination with a plurality of daily doses of follicle stimulating hormone (FSH) whereby the dosage levels of FSH may be reduced. The use of AI in the preparation of a medicament for administration to a female who is a poor responder to FSH, which comprises a combination of a single dose of AI with a plurality of daily doses of FSH is also disclosed. The related pharmaceutical preparations and packages are also described.

  芳香化酶抑制剂(AI)在制备用于诱导患有无排卵性不孕症的女性排卵的药物中的用途，包括向所述女性施用单剂量的至少一种芳香化酶抑制剂。芳香化酶抑制剂(AI)的用途，用于制备一种包含单剂量至少一种芳香化酶抑制剂(AI)的药剂，给患有不明原因不孕症或其他类型排卵性不孕症的排卵期女性在一个或多个月经周期的早期给药。这种药物也可与多种每日剂量的促卵泡激素（FSH）联合用于无排卵女性，从而降低促卵泡激素的剂量水平。此外，还公开了 AI 在制备用于对 FSH 反应不佳的女性的药物中的用途，该药物包括单剂量 AI 与多剂量每日 FSH 的组合。还描述了相关的药物制剂和包装。