1‐benzyl‐1H‐1,2,3‐triazol‐4‐amine | 1313233-08-7

• 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‐benzyl‐1H‐1,2,3‐triazol‐4‐amine
• 英文别名: 1-benzyl-1H-1,2,3-triazol-4-amine；1-benzyltriazol-4-amine
• CAS: 1313233-08-7
• 化学式: C₉H₁₀N₄
• mdl: MFCD21646441
• 分子量: 174.205
• InChiKey: RBLVYNSMAXMNKV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  56.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1‐benzyl‐1H‐1,2,3‐triazol‐4‐amine 、 1‐methyl‐2‐oxo‐2,3,4,5‐tetrahydro‐1H‐1‐benzazepine‐3‐carboxylic acid 在 1-丙基磷酸酐 、 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 、 乙酸乙酯 为溶剂， 以76 %的产率得到N‐(1‐benzyl‐1H‐1,2,3‐triazol‐4‐yl)‐1‐methyl‐2‐oxo‐2,3,4,5‐tetrahydro‐1H‐1‐benzazepine‐3‐carboxamide
  参考文献：
  名称：

  作为选择性 RIPK1 抑制剂的新型环状丙二酰胺衍生物的设计、合成和生物学评价

  摘要：

   [显示省略]

  DOI：

  10.1016/j.bmcl.2024.129643
• 作为产物：
  描述：

  苄基叠氮 在 copper(l) iodide 、 一水合肼 、 三乙胺 作用下， 以 乙腈 为溶剂， 反应 8.0h， 生成 1‐benzyl‐1H‐1,2,3‐triazol‐4‐amine
  参考文献：
  名称：

  N-Alkynyl Imides (Ynimides): Synthesis and Use as a Variant of Highly Labile Ethynamine

  摘要：

  This study describes the first reliable synthesis of N-alkynyl imides (ynimides). This was accomplished with a copper-catalyzed coupling reaction between alkynyl(triaryl)bismuthonium salts and five-membered imides. We also found that it was possible to utilize N-ethynyl phthalimide as a variant of the highly labile ethynamine. 4-Amino-1,2,3-triazole was successfully obtained via the CuAAC reaction of N-ethynyl phthalimide with azide followed by hydrazinolysis of the phthaloyl protecting group.

  DOI：

  10.1021/ol2014973

文献信息

• [EN] TRICYCLIC HETEROCYLIC DERIVATIVES<br/>[FR] DÉRIVÉS HÉTÉROCYCLIQUES TRICYCLIQUES
  申请人：MERCK PATENT GMBH

  公开号：WO2017202748A1

  公开（公告）日：2017-11-30

  Compounds of the formula (I) in which R1 and R2 have the meanings indicated in Claim 1,are inhibitors of ATR, and can be employed for the treatment of diseases such as cancer.

  式(I)中R1和R2具有权利要求书中指示的含义，是ATR的抑制剂，可用于治疗癌症等疾病。
• [EN] SUBSTITUTED TRIAZOLES AND METHODS RELATING THERETO<br/>[FR] TRIAZOLES SUBSTITUÉS ET PROCÉDÉS ASSOCIÉS
  申请人：NEUROCRINE BIOSCIENCES INC

  公开号：WO2016123533A1

  公开（公告）日：2016-08-04

  Substituted 1,2,3-triazole compounds are disclosed which have utility in the treatment of a variety of neurological disorders. The compounds provided herein have the general structure wherein R1, R2, R3 and n are as defined herein, including stereoisomers, esters, solvates and pharmaceutically acceptable salts thereof. Also disclosed are compositions containing a compound provided herein in combination with a pharmaceutically acceptable carrier, as well as methods relating to the use thereof for treating neurological disorders in a subject in need thereof.

  披露了具有在治疗各种神经系统疾病中有用的1,2,3-三唑化合物。本文提供的化合物具有一般结构，其中R1、R2、R3和n如本文所定义，包括立体异构体、酯、溶剂合物和其药学上可接受的盐。还披露了含有本文提供的化合物与药学上可接受的载体结合的组合物，以及涉及将其用于治疗需要的患者神经系统疾病的方法。
• FUSED TRIAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS
  申请人：Ares Trading S.A.

  公开号：US20150183790A1

  公开（公告）日：2015-07-02

  The present invention provides fused bicyclic triazole derivatives of Formula (I) useful as gamma secretase modulators (GSM), for the treatment of Alzheimer's disease and related diseases.

  本发明提供了融合的双环三唑衍生物，其化学式为（I），用作伽马分泌酶调节剂（GSM），用于治疗阿尔茨海默病和相关疾病。
• SUBSTITUTED TRIAZOLES AND METHODS RELATING THERETO
  申请人：NEUROCRINE BIOSCIENCES, INC.

  公开号：US20160221968A1

  公开（公告）日：2016-08-04

  Substituted 1,2,3-triazole compounds are disclosed which have utility in the treatment of a variety of neurological disorders. The compounds provided herein have the general structure: wherein R 1 , R 2 , R 3 and n are as defined herein, including stereoisomers, esters, solvates and pharmaceutically acceptable salts thereof. Also disclosed are compositions containing a compound provided herein in combination with a pharmaceutically acceptable carrier, as well as methods relating to the use thereof for treating neurological disorders in a subject in need thereof.

  本文披露了具有治疗多种神经系统疾病功效的1,2,3-三唑化合物。本文提供的化合物具有以下一般结构：其中R1，R2，R3和n如本文所定义，包括立体异构体，酯类，溶剂化物和其药学上可接受的盐。此外，还披露了含有本文所提供的化合物与药学上可接受的载体组合的组成物，以及与使用其治疗需要该治疗的主体的神经系统疾病相关的方法。
• Substituted triazoles and methods relating thereto
  申请人：Neurocrine Biosciences, Inc.

  公开号：US10138214B2

  公开（公告）日：2018-11-27

  Substituted 1,2,3-triazole compounds are disclosed which have utility in the treatment of a variety of neurological disorders. The compounds provided herein have the general structure: wherein R1, R2, R3 and n are as defined herein, including stereoisomers, esters, solvates and pharmaceutically acceptable salts thereof. Also disclosed are compositions containing a compound provided herein in combination with a pharmaceutically acceptable carrier, as well as methods relating to the use thereof for treating neurological disorders in a subject in need thereof.

  本研究公开了可用于治疗多种神经系统疾病的取代型 1，2，3-三唑化合物。本文提供的化合物具有一般结构： 其中 R1、R2、R3 和 n 如本文所定义，包括其立体异构体、酯类、溶剂和药学上可接受的盐类。此外，还公开了含有本文提供的化合物与药学上可接受的载体组合的组合物，以及有关使用其治疗有需要的受试者神经系统疾病的方法。