Methyl 1-(2-acetyloxyethoxymethyl)-5-(1-pyren-1-yltriazol-4-yl)-1,2,4-triazole-3-carboxylate | 1193363-75-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: Methyl 1-(2-acetyloxyethoxymethyl)-5-(1-pyren-1-yltriazol-4-yl)-1,2,4-triazole-3-carboxylate
• 英文别名: methyl 1-(2-acetyloxyethoxymethyl)-5-(1-pyren-1-yltriazol-4-yl)-1,2,4-triazole-3-carboxylate
• CAS: 1193363-75-5
• 化学式: C₂₇H₂₂N₆O₅
• 分子量: 510.509
• InChiKey: WVWSCHMIZHUBRH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  38
• 可旋转键数：
  10
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  123
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  methyl 1-((2-acetoxyethoxy)methyl)-5-bromo-1H-1,2,4-triazole-3-carboxylate 在 potassium fluoride 、 copper(l) iodide 、 四(三苯基膦)钯 、 copper(ll) sulfate pentahydrate 、 sodium ascorbate 、 三乙胺 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 甲醇 、 水 为溶剂， 反应 2.42h， 生成 Methyl 1-(2-acetyloxyethoxymethyl)-5-(1-pyren-1-yltriazol-4-yl)-1,2,4-triazole-3-carboxylate
  参考文献：
  名称：

  A Novel Bitriazolyl Acyclonucleoside Endowed with Dual Antiproliferative and Immunomodulatory Activity

  摘要：

  A novel bitriazolyl acyclonudeoside was discovered to exhibit powerful antiproliferative effects on different cancer cell lines through caspase-dependent apoptosis and at the same time stimulate the immune response in dendritic cells via Toll-like receptor 7 (TLR7) signaling. This promising compound with dual anticancer and immunomodulatory activity may represent a new generation of highly efficacious drug candidates for use in cancer therapy.

  DOI：

  10.1021/jm300534u

文献信息

• NOVEL TRIAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS
  申请人：Peng Ling

  公开号：US20110136754A1

  公开（公告）日：2011-06-09

  The present invention relates to novel compounds of formula (A): in the form of a free base or of an addition salt with an acid. The invention also relates to process of preparation of compounds of formula (A), to composition comprising them and to their application in therapeutics and in particular in cancers.
• US8563526B2
  申请人：——

  公开号：US8563526B2

  公开（公告）日：2013-10-22
• A Novel Bitriazolyl Acyclonucleoside Endowed with Dual Antiproliferative and Immunomodulatory Activity
  作者：Yi Xia、Menghua Wang、Olivier Demaria、Jingjie Tang、Palma Rocchi、Fanqi Qu、Juan L. Iovanna、Lena Alexopoulou、Ling Peng

  DOI：10.1021/jm300534u

  日期：2012.6.14

  A novel bitriazolyl acyclonudeoside was discovered to exhibit powerful antiproliferative effects on different cancer cell lines through caspase-dependent apoptosis and at the same time stimulate the immune response in dendritic cells via Toll-like receptor 7 (TLR7) signaling. This promising compound with dual anticancer and immunomodulatory activity may represent a new generation of highly efficacious drug candidates for use in cancer therapy.