2-(1-trityl-1H-tetrazol-5-yl)ethanol | 1449782-14-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• 英文名称: 2-(1-trityl-1H-tetrazol-5-yl)ethanol
• 英文别名: 2-(1-Trityltetrazol-5-yl)ethanol
• CAS: 1449782-14-2
• 化学式: C₂₂H₂₀N₄O
• 分子量: 356.427
• InChiKey: ZSAYTMTVHNHKSM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  27
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  63.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-(1-trityl-1H-tetrazol-5-yl)ethanol 在 potassium carbonate 、 N,N-二异丙基乙胺 、 三苯基膦 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 32.17h， 生成 tert-butyl {6-chloro-9-[2-(1-trityl-1H-tetrazol-5-yl)ethyl]-9H-purin-2-yl}(4-cyclohexylbenzyl)carbamate
  参考文献：
  名称：

  A 2,6,9-hetero-trisubstituted purine inhibitor exhibits potent biological effects against multiple myeloma cells

  摘要：

  A focused library of hetero-trisubstituted purines was developed for improving the cell penetrating and biological efficacy of a series of anti-Stat3 protein inhibitors. From this SAR study, lead agent 22e was identified as being a promising inhibitor of MM tumour cells (IC50's <5 mu M). Surprisingly, biophysical and biochemical characterization proved that 22e was not a Stat3 inhibitor. Initial screening against the kinome, prompted by the purine scaffold's history for targeting ATP binding pockets, suggests possible targeting of the JAK family kinases, as well for ABL1 (nonphosphorylated F317L) and AAK1. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2013.04.080
• 作为产物：
  描述：

  2-(2H-四唑-5-基)-乙醇 、 三苯基氯甲烷 在 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 二氯甲烷 为溶剂， 以88%的产率得到2-(1-trityl-1H-tetrazol-5-yl)ethanol
  参考文献：
  名称：

  A 2,6,9-hetero-trisubstituted purine inhibitor exhibits potent biological effects against multiple myeloma cells

  摘要：

  A focused library of hetero-trisubstituted purines was developed for improving the cell penetrating and biological efficacy of a series of anti-Stat3 protein inhibitors. From this SAR study, lead agent 22e was identified as being a promising inhibitor of MM tumour cells (IC50's <5 mu M). Surprisingly, biophysical and biochemical characterization proved that 22e was not a Stat3 inhibitor. Initial screening against the kinome, prompted by the purine scaffold's history for targeting ATP binding pockets, suggests possible targeting of the JAK family kinases, as well for ABL1 (nonphosphorylated F317L) and AAK1. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2013.04.080

文献信息

• [EN] ITACONIC ACID DERIVATIVES AND USES THEREOF IN TREATING AN INFLAMMATORY DISEASE OR A DISEASE ASSOCIATED WITH AN UNDESIRABLE IMMUNE RESPONSE<br/>[FR] DÉRIVÉS D'ACIDE ITACONIQUE ET LEURS UTILISATIONS DANS LE TRAITEMENT D'UNE MALADIE INFLAMMATOIRE OU D'UNE MALADIE ASSOCIÉE À UNE RÉPONSE IMMUNITAIRE INDÉSIRABLE
  申请人：SITRYX THERAPEUTICS LTD

  公开号：WO2020222011A1

  公开（公告）日：2020-11-05

  The invention relates to compounds of formula (IW-1) and to their use in treating or preventing an inflammatory disease or a disease associated with an undesirable immune response: wherein RA, RB, RC and RD are as defined herein.