4-(azidomethyl)-1H-imidazole | 955132-71-5

• 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-(azidomethyl)-1H-imidazole
• 英文别名: 4-azidomethylimidazole；5-(azidomethyl)-1H-imidazole
• CAS: 955132-71-5
• 化学式: C₄H₅N₅
• 分子量: 123.117
• InChiKey: CBGOTHFNDMZDGH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  9
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  43
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-(azidomethyl)-1H-imidazole 在 palladium 10% on activated carbon 、 氢气 作用下， 以 乙醇 为溶剂， 反应 12.0h， 以88%的产率得到4-胺甲基咪唑
  参考文献：
  名称：

  4-杂芳基取代氨基-3,5-二氰基吡啶作为新的腺苷受体配体：对构效关系和前景的新见解

  摘要：

  合成了一组新的氨基-3,5-二氰基吡啶，并在腺苷受体 (AR) 上进行了生物学评估。这种化学类别特别通用，因为小的结构修饰不仅会影响亲和力和选择性，还会影响药理学特征。因此，为了加深该系列的构效关系（SAR），在二氰基吡啶支架的不同位置评估了不同的取代基。一般来说，本文报道的化合物显示出纳摩尔级的结合亲和力，并且与人类 (h) A 1和 A 2A AR 的相互作用比与其他亚型的相互作用更好。进行了 hAR 结构的对接研究以合理化观察到的亲和力数据。感兴趣的是化合物1和5, 它可以被认为是泛配体，因为它以相当的纳摩尔结合亲和力结合所有 ARs (A 1 AR: 1 , K i = 9.63 nM; 5 , K i = 2.50 nM; A 2A AR: 1 , K i = 21 nM ；5，Ki = 24 nM；A 3 AR：1，Ki = 52 nM；5，Ki = 25 nM；A 2B AR：1，EC

  DOI：

  10.3390/ph15040478
• 作为产物：
  描述：

  4-(羟甲基)咪唑 在 氯化亚砜 、 sodium azide 作用下， 以 乙腈 、 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 以68%的产率得到4-(azidomethyl)-1H-imidazole
  参考文献：
  名称：

  ALK5 INHIBITORS

  摘要：

  本公开提供抑制活性素受体样激酶5（ALK5）的抑制剂。还公开了调节ALK5活性的方法以及治疗由ALK5介导的疾病的方法。

  公开号：

  US20200188370A1

文献信息

• FACTOR XA INHIBITORS
  申请人：Song Yonghong

  公开号：US20070259924A1

  公开（公告）日：2007-11-08

  The present invention is directed to compounds of formula (I) and pharmaceutically acceptable salts, esters, and prodrugs thereof which are inhibitors of Factor Xa. The present invention is also directed to intermediates used in making such compounds, pharmaceutical compositions containing such a compound, methods to prevent or treat a number of conditions characterized by undesired thrombosis and methods of inhibiting the coagulation of a blood sample.

  本发明涉及式(I)的化合物及其药学上可接受的盐、酯和前药，这些化合物是Xa因子的抑制剂。本发明还涉及用于制备这类化合物的中间体，含有这种化合物的药物组合物，预防或治疗一系列以不良血栓形成为特征的疾病的方法，以及抑制血样凝血的方法。
• Factor Xa inhibitors
  申请人：Millennium Pharmaceuticals, Inc.

  公开号：US08063077B2

  公开（公告）日：2011-11-22

  The present invention is directed to compounds of formula (I) and pharmaceutically acceptable salts, esters, and prodrugs thereof which are inhibitors of Factor Xa. The present invention is also directed to intermediates used in making such compounds, pharmaceutical compositions containing such a compound, methods to prevent or treat a number of conditions characterized by undesired thrombosis and methods of inhibiting the coagulation of a blood sample.

  本发明涉及式（I）的化合物及其药学上可接受的盐、酯和前药，它们是凝血因子Xa的抑制剂。本发明还涉及用于制备这种化合物的中间体，含有这种化合物的药物组合物，预防或治疗多种以不良血栓形成为特征的疾病的方法，以及抑制血样凝血的方法。
• Factor XA inhibitors
  申请人：Millennium Pharmaceuticals, Inc.

  公开号：US08349873B2

  公开（公告）日：2013-01-08

  The present invention is directed to compounds of formula (I) and pharmaceutically acceptable salts, esters, and prodrugs thereof which are inhibitors of Factor Xa. The present invention is also directed to intermediates used in making such compounds, pharmaceutical compositions containing such a compound, methods to prevent or treat a number of conditions characterized by undesired thrombosis and methods of inhibiting the coagulation of a blood sample.

  本发明涉及式(I)化合物及其药学上可接受的盐、酯和前药，其为凝血因子Xa的抑制剂。本发明还涉及用于制备这种化合物的中间体，含有这种化合物的药物组合物，预防或治疗一系列不良血栓形成状况的方法，以及抑制血样凝血的方法。
• Fluconazole analogues with metal-binding motifs impact metal-dependent processes and demonstrate antifungal activity in Candida albicans
  作者：Elizabeth W. Hunsaker、Katherine J. McAuliffe、Katherine J. Franz

  DOI：10.1007/s00775-020-01796-x

  日期：2020.8

  Azole antifungals are an important class of antifungal drugs due to their low cost, ability to be administered orally, and broad-spectrum activity. However, their widespread and long-term use have given rise to adaptation mechanisms that render these compounds less effective against common fungal pathogens, includingCandida albicans. New antifungals are desperately needed as drug-resistant strains become more prevalent. We recently showed that copper supplementation potentiates the activity of the azole antifungal fluconazole against the opportunistic fungal pathogenC. albicans. Here, we report eight new azole analogues derived from fluconazole in which one triazole group has been replaced with a metal-binding group, a strategy designed to enhance potentiation of azole antifungal activity by copper. The bioactivity of all eight compounds was tested and compared to that of fluconazole. Three of the analogues showed activity againstC. albicansand two had lower levels of trailing growth. One compound, Flu-TSCZ, was found to impact the levels, speciation, and bioavailability of cellular metals.[GRAPHICS].
• ALK5 INHIBITORS
  申请人：THERAVANCE BIOPHARMA R&D IP, LLC

  公开号：US20200188370A1

  公开（公告）日：2020-06-18

  The present disclosure provides inhibitors of activin receptor-like kinase 5 (ALK5). Also disclosed are methods to modulate the activity of ALK5 and methods of treatment of disorders mediated by ALK5.

  本公开提供抑制活性素受体样激酶5（ALK5）的抑制剂。还公开了调节ALK5活性的方法以及治疗由ALK5介导的疾病的方法。