(1R,2R)-2-{[4-Chloro-6-(4-methoxy-phenylamino)-[1,3,5]triazin-2-yl]-methyl-amino}-1-phenyl-propan-1-ol | 1053851-44-7

• 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: (1R,2R)-2-{[4-Chloro-6-(4-methoxy-phenylamino)-[1,3,5]triazin-2-yl]-methyl-amino}-1-phenyl-propan-1-ol
• CAS: 1053851-44-7
• 化学式: C₂₀H₂₂ClN₅O₂
• 分子量: 399.88
• InChiKey: ACTMJOXGDUSXHY-DYVFJYSZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.84
• 重原子数：
  28.0
• 可旋转键数：
  7.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  83.4
• 氢给体数：
  2.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  1-deoxy-1-(methylamino)-D-galactitol 、 (1R,2R)-2-{[4-Chloro-6-(4-methoxy-phenylamino)-[1,3,5]triazin-2-yl]-methyl-amino}-1-phenyl-propan-1-ol 在 N,N-二异丙基乙胺 作用下， 以 水 、 乙腈 为溶剂， 反应 5.0h， 生成 (2S,3R,4S,5R)-6-{[4-[((1R,2R)-2-Hydroxy-1-methyl-2-phenyl-ethyl)-methyl-amino]-6-(4-methoxy-phenylamino)-[1,3,5]triazin-2-yl]-methyl-amino}-hexane-1,2,3,4,5-pentaol
  参考文献：
  名称：

  Incorporation of carbohydrates and peptides into large triazine-based screening libraries using automated parallel synthesis

  摘要：

  A procedure for the sequential, selective derivatization of cyanuric chloride that allows for the incorporation of carbohydrates and peptides has been elucidated. As a result, large combinatorial arrays of individual derivatives, over 40,000 in all, have been produced in 50 mu mole quantities using automated parallel solution phase synthesis. The use of this technology in a search for protease inhibitors, glycopeptide surrogates and other bioactive compound classes will also be discussed. (C) 1998 Published by Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(98)00134-3
• 作为产物：
  描述：

  4,6-dichloro-N-(4-methoxyphenyl)-1,3,5-triazin-2-amine 、 左旋伪麻黄碱 在 N,N-二异丙基乙胺 作用下， 以 乙腈 为溶剂， 反应 2.0h， 生成 (1R,2R)-2-{[4-Chloro-6-(4-methoxy-phenylamino)-[1,3,5]triazin-2-yl]-methyl-amino}-1-phenyl-propan-1-ol
  参考文献：
  名称：

  Incorporation of carbohydrates and peptides into large triazine-based screening libraries using automated parallel synthesis

  摘要：

  A procedure for the sequential, selective derivatization of cyanuric chloride that allows for the incorporation of carbohydrates and peptides has been elucidated. As a result, large combinatorial arrays of individual derivatives, over 40,000 in all, have been produced in 50 mu mole quantities using automated parallel solution phase synthesis. The use of this technology in a search for protease inhibitors, glycopeptide surrogates and other bioactive compound classes will also be discussed. (C) 1998 Published by Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(98)00134-3