1-(4-methoxybenzyl)-1H-tetrazol-5-amine | 341941-94-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 1-(4-methoxybenzyl)-1H-tetrazol-5-amine
• 英文别名: 1-(4-methoxy-benzyl)-1H-tetrazol-5-ylamine；1-[(4-methoxyphenyl)methyl]tetrazol-5-amine
• CAS: 341941-94-4
• 化学式: C₉H₁₁N₅O
• 分子量: 205.219
• InChiKey: PGOYNEAPOIJUIS-UHFFFAOYSA-N

物化性质

• 沸点：
  430.0±47.0 °C(Predicted)
• 密度：
  1.38±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  78.8
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1-(4-methoxybenzyl)-1H-tetrazol-5-amine 在 sodium methylate 、 三乙胺 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 0.75h， 生成 (S)-2-((S)-2-(3'-chlorobiphenyl-4-yl)-1-{[1-(4-methoxybenzyl)-1H-tetrazol-5-yl]methylcarbamoyl}ethylamino)propionic acid ethyl ester
  参考文献：
  名称：

  Substituted carbamoylmethylamino acetic acid derivatives as novel NEP inhibitors

  摘要：

  本发明提供了以下式I的化合物： 或其药学上可接受的盐，其中R 1 ，R 2 ，R 3 ，R 4 ，R 6 ，A 1 ，A 2 ，X 1 ，s和m在此处定义。该发明还涉及制造该发明化合物的方法及其治疗用途。本发明还提供了药理活性剂的组合和药物组成。

  公开号：

  US20110124695A1
• 作为产物：
  描述：

  5-氨基四氮唑 在 caesium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 1-(4-methoxybenzyl)-1H-tetrazol-5-amine
  参考文献：
  名称：

  METHOD OF TREATING CONTRAST-INDUCED NEPHROPATHY

  摘要：

  本发明提供了中性内切肽酶抑制剂的使用，用于制造用于治疗、改善和/或预防造影剂诱导性肾病的药物。该发明还涉及使用化合物Formula I中的化合物：其中R1、R2、R3、R5、X、A3、B1、s和n在此处定义，用于治疗、改善和/或预防造影剂诱导性肾病。本发明进一步提供了用于治疗、改善和/或预防造影剂诱导性肾病的药理活性剂的组合。

  公开号：

  US20120122844A1

文献信息

• Method of treating contrast-induced nephropathy
  申请人：Foo Shi Yin

  公开号：US08993631B2

  公开（公告）日：2015-03-31

  The present invention provides the use of a neutral endopeptidase inhibitor, in the manufacture of a medicament for the treatment, amelioration and/or prevention of contrast-induced nephropathy. The invention also relates to the use of a compound of Formula I: wherein R1, R2, R3, R5, X, A3, B1, s and n are defined herein, for the treatment, amelioration and/or prevention of contrast-induced nephropathy. The present invention further provides a combination of pharmacologically active agents for use in the treatment, amelioration and/or prevention of contrast-induced nephropathy.

  本发明提供了使用中性内肽酶抑制剂制造药物，用于治疗、改善和/或预防造影剂诱导性肾病的方法。本发明还涉及使用式I化合物：其中R1、R2、R3、R5、X、A3、B1、s和n在此定义，用于治疗、改善和/或预防造影剂诱导性肾病的方法。本发明还提供了一种药理活性剂的组合，用于治疗、改善和/或预防造影剂诱导性肾病。
• Palladium-catalyzed N-Arylation of 1-substituted-1H-tetrazol-5-amines
  作者：Andrea M. Nikolić、Vladimir Ajdačić、Igor M. Opsenica

  DOI：10.1016/j.jorganchem.2018.11.007

  日期：2019.2

  A palladium-catalyzed N-arylation of 1-substituted-1H-tetrazol-5-amines has been described for the first time. The reaction provides good yields of desired products with broad substrate scope and good functional group tolerance. (C) 2018 Elsevier B.V. All rights reserved.
• Synthesis, structural characterization and antimicrobial activity of silver(I) complexes with 1-benzyl-1H-tetrazoles
  作者：Tina P. Andrejević、Andrea M. Nikolić、Biljana Đ. Glišić、Hubert Wadepohl、Sandra Vojnovic、Mario Zlatović、Miloš Petković、Jasmina Nikodinovic-Runic、Igor M. Opsenica、Miloš I. Djuran

  DOI：10.1016/j.poly.2018.08.001

  日期：2018.11

  Herein, we report the synthesis and structural characteristics of three tetrazole-containing compounds, 1-benzyl-1H-tetrazole (bntz), 1-benzyl-1H-tetrazol-5-amine (bntza) and 1-(4-methoxybenzyl)-1H-tetrazol-5-amine (mbntza) and the corresponding silver(I) complexes of the general formula [Ag(NO3-O)(L-N4)(2)](n), L = bntz (1), bntza (2) and mbntza (3). Silver(I) complexes 1-3 and 1-benzyl-1H-tetrazoles have been studied in detail by NMR, IR and UV-Vis spectroscopic methods and the structures of 1 and 2 have been determined by single-crystal X-ray diffraction analysis. The results of these analyses revealed a monodentate coordination of the ligands to Ag(I) ion via the N4 tetrazole nitrogen. The antimicrobial potential of silver(I) complexes 1-3 was evaluated against the broad panel of Gram-positive and Gram-negative bacteria and fungi, displaying their remarkable inhibiting activity with MIC (minimal inhibitory concentration) values in the range 2-8 and 0.16-1.25 mu g/mL (3.8-16.3 and 0.31-2.15 mu M), respectively. On the other hand, 1-benzyl-1H-tetrazoles used for the synthesis of the silver(I) complexes were not active against the investigated strains, suggesting that the activity of the complexes originates from the Ag(I) ion exclusively. Moreover, silver(I) complexes 1-3 have good therapeutic potential, which can be deduced from their moderate cytotoxicity on the human fibroblast cell line MRC5, with IC50 values falling in the range 30-60 mu g/mL (57.7-103.4 mu M). (C) 2018 Elsevier Ltd. All rights reserved.
• SUBSTITUTED CARBAMOYLMETHYLAMINO ACETIC ACID DERIVATIVES AS NOVEL NEP INHIBITORS
  申请人：Novartis AG

  公开号：EP2501683A1

  公开（公告）日：2012-09-26
• Substituted carbamoylmethoxyacetic acid derivatives as novel NEP inhibitors
  申请人：Novartis AG

  公开号：EP2735561B1

  公开（公告）日：2016-07-20