1-([1,1'-biphenyl]-4-yl)-1H-tetrazole | 63472-38-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-([1,1'-biphenyl]-4-yl)-1H-tetrazole
• 英文别名: 1-(4-Biphenylyl)tetrazol；1-biphenyl-4-yl-1H-tetrazole；Tetrazole, 1-(4-biphenyl)-；1-(4-phenylphenyl)tetrazole
• CAS: 63472-38-8
• 化学式: C₁₃H₁₀N₄
• 分子量: 222.249
• InChiKey: MPNKAPIXYSIUKU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  43.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4-氨基联苯 、 sodium chlorodifluoroacetate 在 叠氮基三甲基硅烷 、 碳酸氢钠 作用下， 以 乙腈 为溶剂， 反应 16.0h， 以66%的产率得到1-([1,1'-biphenyl]-4-yl)-1H-tetrazole
  参考文献：
  名称：

  ClCF2COONa的[3 + 1 + 1]型环化，用于通过原位生成的异氰酸酯组装咪唑和四唑。

  摘要：

  通过ClCF 2 COONa的[3 + 1 + 1]型环化，可轻松合成咪唑和四唑。通过异氰酸酯中间体以适当的产率获得了各种各样的咪唑和四唑。值得注意的是，这是就地生成的异氰酸酯环加成的第一个例子。

  DOI：

  10.1039/d0cc01919d

文献信息

• THREE-DIMENSIONAL CAVITIES OF DENDRITIC CELL IMMUNORECEPTOR (DCIR), COMPOUNDS BINDING THERETO AND THERAPEUTIC APPLICATIONS RELATED TO INHIBITION OF HUMAN IMMUNODEFICIENCY VIRUS TYPE-1 (HIV-1)
  申请人：Universite Laval

  公开号：US20150157705A1

  公开（公告）日：2015-06-11

  The invention is concerned with compounds, pharmaceutical compositions, screening methods, and therapeutic methods for preventing or reducing a human immunodeficiency virus type-1 (HIV-1) infection and/or propagation associated with dendritic cell immunoreceptor (DCIR). Described herein are compounds which bind on at least one three-dimensional cavity of the DCIR, the cavity(ies) being involved in the interaction between HIV-1 and DCIR. Also described are screening methods for identifying active inhibitors and method of using such inhibitors for the prevention or treatment of virus infections, and more particularly for reducing human immunodeficiency virus type-1 (HIV-1) binding, entry and/or replication in human cells.
• US9731001B2
  申请人：——

  公开号：US9731001B2

  公开（公告）日：2017-08-15
• [EN] THREE-DIMENSIONAL CAVITIES OF DENDRITIC CELL IMMUNORECEPTOR (DCIR), COMPOUNDS BINDING THERETO AND THERAPEUTIC APPLICATIONS RELATED TO INHIBITION OF HUMAN IMMUNODEFICIENCY VIRUS TYPE-1 (HIV-1)<br/>[FR] CAVITÉS TRIDIMENSIONNELLES D'IMMUNORÉCEPTEUR DE CELLULES DENDRITIQUES (DCIR), COMPOSÉS SE LIANT À CELLES-CI ET APPLICATIONS THÉRAPEUTIQUES ASSOCIÉES À L'INHIBITION DU VIRUS DE L'IMMUNODÉFICIENCE HUMAINE DE TYPE 1 (VIH-1)
  申请人：UNIVERSITÉ LAVAL

  公开号：WO2013091089A9

  公开（公告）日：2014-09-18

  [EN] The invention is concerned with compounds, pharmaceutical compositions, screening methods, and therapeutic methods for preventing or reducing a human immunodeficiency virus type-1 (HIV-1) infection and/or propagation associated with dendritic cell immunoreceptor (DCIR). Described herein are compounds which bind on at least one three-dimensional cavity of the DCIR, the cavity(ies) being involved in the interaction between HIV-1 and DCIR. Also described are screening methods for identifying active inhibitors and method of using such inhibitors for the prevention or treatment of virus infections, and more particularly for reducing human immunodeficiency virus type-1 (HIV-1) binding, entry and/or replication in human cells.
  [FR] La présente invention concerne des composés, des compositions pharmaceutiques, des procédés de criblage, et des méthodes thérapeutiques destinés à prévenir ou à réduire une infection et/ou une propagation du virus de l'immunodéficience humaine de type 1 (VIH-1) associées à l'immunorécepteur de cellules dendritiques (DCIR). L'invention concerne plus particulièrement des composés qui se lient à au moins une cavité tridimensionnelle du DCIR, la ou les cavités étant impliquées dans l'interaction entre le VIH-1 et le DCIR. L'invention concerne également des procédés de criblage destinés à identifier des inhibiteurs actifs et un procédé d'utilisation de ceux-ci dans la prévention ou le traitement d'infections virales, et plus particulièrement à réduire la liaison, l'entrée et/ou la réplication du virus de l'immunodéficience humaine de type 1 (VIH-1) dans les cellules humaines.
• [3+1+1] type cyclization of ClCF₂COONa for the assembly of imidazoles and tetrazoles <i>via in situ</i> generated isocyanides
  作者：Ya Wang、Yao Zhou、Qiuling Song

  DOI：10.1039/d0cc01919d

  日期：——

  A facile synthesis of imidazoles and tetrazoles via [3+1+1] type cyclization of ClCF2COONa is developed. A diverse array of imidazoles and tetrazoles were obtained in decent yields via isocyanide intermediates. Notably, this is the first example of the cycloaddition of in situ generated isocyanides.

  通过ClCF 2 COONa的[3 + 1 + 1]型环化，可轻松合成咪唑和四唑。通过异氰酸酯中间体以适当的产率获得了各种各样的咪唑和四唑。值得注意的是，这是就地生成的异氰酸酯环加成的第一个例子。