[2-(2-{2-[4-(4,6-dichloro-[1,3,5]triazin-2-ylamino)-benzoyl-amino]-ethoxy}-ethoxy)-ethyl]-carbamic acid tert-butyl ester | 701936-67-6

• 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: [2-(2-{2-[4-(4,6-dichloro-[1,3,5]triazin-2-ylamino)-benzoyl-amino]-ethoxy}-ethoxy)-ethyl]-carbamic acid tert-butyl ester
• 英文别名: [2-(2-{2-[4-(4,6-dichloro-[1,3,5]triazin-2-ylamino)-benzoylamino]-ethoxy}-ethoxy)-ethyl]-carbamic acid tert-butyl ester；tert-butyl N-[2-[2-[2-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]benzoyl]amino]ethoxy]ethoxy]ethyl]carbamate
• CAS: 701936-67-6
• 化学式: C₂₁H₂₈Cl₂N₆O₅
• 分子量: 515.397
• InChiKey: IONSSPIONDXDMI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  34
• 可旋转键数：
  14
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  137
• 氢给体数：
  3
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  [2-(2-{2-[4-(4,6-dichloro-[1,3,5]triazin-2-ylamino)-benzoyl-amino]-ethoxy}-ethoxy)-ethyl]-carbamic acid tert-butyl ester 以 二氯甲烷 为溶剂， 反应 5.0h， 生成 {2-[2-(2-{4-[4-Isopropylamino-6-(3-methoxy-benzylamino)-[1,3,5]triazin-2-ylamino]-benzoylamino}-ethoxy)-ethoxy]-ethyl}-carbamic acid tert-butyl ester
  参考文献：
  名称：

  Facilitated Forward Chemical Genetics Using a Tagged Triazine Library and Zebrafish Embryo Screening

  摘要：

  An improved forward chemical genetics approach was successfully demonstrated using a tagged library concept. A small-molecule triazine library with linkers was used to screen for brain/eye developmental phenotypes in a zebrafish embryo system. This approach enabled the rapid isolation of the target proteins by facile affinity matrix preparation and elucidated the first small-molecule inhibitors for several ribosomal accessory proteins or their complex as the target.

  DOI：

  10.1021/ja035334d
• 作为产物：
  描述：

  1,8-二氨基-3,6-二氧杂辛烷 在 1-羟基苯并三唑 、 N,N-二异丙基乙胺 、 N,N'-二异丙基碳二亚胺 作用下， 以 四氢呋喃 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 10.0h， 生成 [2-(2-{2-[4-(4,6-dichloro-[1,3,5]triazin-2-ylamino)-benzoyl-amino]-ethoxy}-ethoxy)-ethyl]-carbamic acid tert-butyl ester
  参考文献：
  名称：

  Facilitated Forward Chemical Genetics Using a Tagged Triazine Library and Zebrafish Embryo Screening

  摘要：

  An improved forward chemical genetics approach was successfully demonstrated using a tagged library concept. A small-molecule triazine library with linkers was used to screen for brain/eye developmental phenotypes in a zebrafish embryo system. This approach enabled the rapid isolation of the target proteins by facile affinity matrix preparation and elucidated the first small-molecule inhibitors for several ribosomal accessory proteins or their complex as the target.

  DOI：

  10.1021/ja035334d

文献信息

• [EN] FACILITATED FORWARD CHEMICAL GENETICS USING TAGGED TRIAZINE LIBRARY<br/>[FR] GENETIQUE CHIMIQUE FACILITEE VERS L'AVANT UTILISANT UNE BANQUE DE TRIAZINES MARQUEES
  申请人：UNIV NEW YORK

  公开号：WO2004099106A3

  公开（公告）日：2005-02-24
• Facilitated Forward Chemical Genetics Using a Tagged Triazine Library and Zebrafish Embryo Screening
  作者：Sonya M. Khersonsky、Da-Woon Jung、Tae-Wook Kang、Daniel P. Walsh、Ho-Sang Moon、Hakryul Jo、Eric M. Jacobson、Vivekananda Shetty、Thomas A. Neubert、Young-Tae Chang

  DOI：10.1021/ja035334d

  日期：2003.10.1

  An improved forward chemical genetics approach was successfully demonstrated using a tagged library concept. A small-molecule triazine library with linkers was used to screen for brain/eye developmental phenotypes in a zebrafish embryo system. This approach enabled the rapid isolation of the target proteins by facile affinity matrix preparation and elucidated the first small-molecule inhibitors for several ribosomal accessory proteins or their complex as the target.