3-(N-acetyl-N-benzyl)amino-5-dibenzylamino-1-phenyl-1,2,4-triazole | 1198185-40-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-(N-acetyl-N-benzyl)amino-5-dibenzylamino-1-phenyl-1,2,4-triazole
• 英文别名: N-benzyl-N-[5-(dibenzylamino)-1-phenyl-1,2,4-triazol-3-yl]acetamide
• CAS: 1198185-40-8
• 化学式: C₃₁H₂₉N₅O
• 分子量: 487.604
• InChiKey: SQUBEASITJXORX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  37
• 可旋转键数：
  9
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  54.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  3-acetylamino-5-amino-1-phenyl-1,2,4-triazole 、 氯化苄 在 sodium methylate 作用下， 以 甲醇 、 二甲基亚砜 为溶剂， 反应 0.08h， 以38%的产率得到3-(N-acetyl-N-benzyl)amino-5-benzylamino-1-phenyl-1,2,4-triazole
  参考文献：
  名称：

  Alkylation of acyl and sulfonyl derivatives of 3,5-diamino-1-phenyl-1,2,4-triazole

  摘要：

  Alkylation of 3-acylamino-, 5-amino-1-phenyl-3-tosylamino-1,2,4-triazoles and 3,5-diacetylamino-1-phenyl-1,2,4-triazole in the presence of an equimolar amount of sodium methylate in DMSO occurs regioselectively at the amide (sulfamide) group nitrogen atom. The benzylation of 3-acetylamino-5-amino-1-phenyl-1,2,4-triazole with excess base and benzyl chloride also alkylates the amino group at position 5. Alkylamino-1-R-1,2,4-triazoles can be conveniently prepared by alkylation of the corresponding acetylamino-1,2,4-triazoles in the presence of base and subsequent acid hydrolysis of the N-acetyl-N-alkyl derivatives.

  DOI：

  10.1007/s10593-009-0290-y

文献信息

• Triazole benzamide derivatives and the compositions and methods of treatment regarding the same
  申请人：An2H Discovery Limited

  公开号：US10308617B2

  公开（公告）日：2019-06-04

  The present disclosure is directed to triazole benzamide compounds of formula (I) and formula (II), pharmaceutical compositions thereof and methods for modulating or activating a Parkin ligase The present disclosure is also directed to methods of treating and/or reducing the incidence of diseases or conditions related to the activation of Parkin ligase. R1, R2, R3, M1, M2, M3, L1, L2, and L3 are as defined herein.

  本公开涉及式(I)和式(II)的三唑苯甲酰胺化合物、其药物组合物以及调节或激活Parkin连接酶的方法。本公开还涉及治疗和/或减少与激活Parkin连接酶有关的疾病或病症的方法。R1、R2、R3、M1、M2、M3、L1、L2 和 L3 如本文所定义。
• TRIAZOLE BENZAMIDE DERIVATIVES AND THE COMPOSITIONS AND METHODS OF TREATMENT REGARDING THE SAME
  申请人：An2H Discovery Limited

  公开号：US20180118697A1

  公开（公告）日：2018-05-03

  The present disclosure is directed to triazole benzamide compounds of formula (I) and formula (II), pharmaceutical compositions thereof and methods for modulating or activating a Parkin ligase The present disclosure is also directed to methods of treating and/or reducing the incidence of diseases or conditions related to the activation of Parkin ligase. R 1 , R 2 , R 3 , M 1 , M 2 , M 3 , L 1 , L 2 , and L 3 are as defined herein.