tert-butyl [4-(benzyloxy)-6-(but-3-enylamino)-5-formylpyrimidin-2-yl]-N-(methyl)carbamate | 1268383-22-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: tert-butyl [4-(benzyloxy)-6-(but-3-enylamino)-5-formylpyrimidin-2-yl]-N-(methyl)carbamate
• 英文别名: tert-butyl N-[4-(but-3-enylamino)-5-formyl-6-phenylmethoxypyrimidin-2-yl]-N-methylcarbamate
• CAS: 1268383-22-7
• 化学式: C₂₂H₂₈N₄O₄
• 分子量: 412.489
• InChiKey: ZYEQCODZEDFZNI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  30
• 可旋转键数：
  11
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  93.6
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  tert-butyl [4-(benzyloxy)-6-(but-3-enylamino)-5-formylpyrimidin-2-yl]-N-(methyl)carbamate 在 盐酸羟胺 、 potassium hydrogencarbonate 、 三乙胺 、 三氟乙酸酐 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 生成 tert-butyl [4-(benzyloxy)-6-(but-3-enylamino)-5-cyanopyrimidin-2- yl]-N-(methyl)carbamate
  参考文献：
  名称：

  Synthesis of a β-glycoside functionalized GΛC motif for self-assembly into rosette nanotubes with predefined length

  摘要：

  Progress toward the synthesis of guanine cytosine (G Lambda C) oligonucleotides for the spontaneous self-assembly of rosette nanotubes (RNTs) with predefined length is described. Highlighted is the synthesis of the beta-glycoside functionalized G Lambda C base along with a new nitrogen protecting group strategy that is compatible with Boc and Bn groups. Crown Copyright (C) 2010 Published by Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.11.122
• 作为产物：
  描述：

  4-(but-3-enylamino)-6-chloro-2-(methylamino)pyrimidine-5-carbaldehyde 在 4-二甲氨基吡啶 、 sodium hydride 、 三乙胺 作用下， 以 四氢呋喃 为溶剂， 生成 tert-butyl [4-(benzyloxy)-6-(but-3-enylamino)-5-formylpyrimidin-2-yl]-N-(methyl)carbamate
  参考文献：
  名称：

  Synthesis of a β-glycoside functionalized GΛC motif for self-assembly into rosette nanotubes with predefined length

  摘要：

  Progress toward the synthesis of guanine cytosine (G Lambda C) oligonucleotides for the spontaneous self-assembly of rosette nanotubes (RNTs) with predefined length is described. Highlighted is the synthesis of the beta-glycoside functionalized G Lambda C base along with a new nitrogen protecting group strategy that is compatible with Boc and Bn groups. Crown Copyright (C) 2010 Published by Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.11.122

文献信息

• SUBSTITUTED HETEROARYL ALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION
  申请人：Global Blood Therapeutics, Inc.

  公开号：US20150344483A1

  公开（公告）日：2015-12-03

  Provided are substituted heteroaryl aldehydes and derivatives thereof that act as allosteric modulators of hemoglobin, methods and intermediates for their preparation, pharmaceutical compositions comprising the modulators, and methods for their use in treating disorders mediate by hemoglobin and disorders that would benefit from increased tissue oxygenation.

  提供了替代杂环芳醛及其衍生物，其作为血红蛋白的变构调节剂，以及其制备的方法和中间体，包括这些调节剂的药物组合物，以及在治疗由血红蛋白介导的疾病和需要增加组织氧合的疾病中使用它们的方法。
• [EN] SUBSTITUTED HETEROARYL ALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION<br/>[FR] COMPOSÉS D'ALDÉHYDES HÉTÉROARYLES SUBSTITUÉS ET LEURS PROCÉDÉS D'UTILISATION DANS L'ACCROISSEMENT DE L'OXYGÉNATION TISSULAIRE
  申请人：GLOBAL BLOOD THERAPEUTICS INC

  公开号：WO2013102145A1

  公开（公告）日：2013-07-04

  Provided are substituted heteroaryl aldehydes and derivatives thereof that act as allosteric modulators of hemoglobin, methods and intermediates for their preparation, pharmaceutical compositions comprising the modulators, and methods for their use in treating disorders mediate by hemoglobin and disorders that would benefit from increased tissue oxygenation.

  提供了替代杂环芳醛及其衍生物，其作为血红蛋白的变构调节剂，以及其制备的方法和中间体，包括这些调节剂的药物组合物，以及在治疗由血红蛋白介导的疾病和需要增加组织氧合的疾病中使用它们的方法。
• Substituted heteroaryl aldehyde compounds and methods for their use in increasing tissue oxygenation
  申请人：Global Blood Therapeutics, Inc.

  公开号：US10377741B2

  公开（公告）日：2019-08-13

  Provided are substituted heteroaryl aldehydes and derivatives thereof that act as allosteric modulators of hemoglobin, methods and intermediates for their preparation, pharmaceutical compositions comprising the modulators, and methods for their use in treating disorders mediate by hemoglobin and disorders that would benefit from increased tissue oxygenation.

  本文提供了可作为血红蛋白异位调节剂的取代杂芳基醛及其衍生物、制备它们的方法和中间体、包含这些调节剂的药物组合物，以及将它们用于治疗由血红蛋白介导的疾病和可从增加组织含氧量中获益的疾病的方法。
• US9012450B2
  申请人：——

  公开号：US9012450B2

  公开（公告）日：2015-04-21
• Synthesis of a β-glycoside functionalized GΛC motif for self-assembly into rosette nanotubes with predefined length
  作者：Rachel L. Beingessner、Julian A. Diaz、Usha D. Hemraz、Hicham Fenniri

  DOI：10.1016/j.tetlet.2010.11.122

  日期：2011.2

  Progress toward the synthesis of guanine cytosine (G Lambda C) oligonucleotides for the spontaneous self-assembly of rosette nanotubes (RNTs) with predefined length is described. Highlighted is the synthesis of the beta-glycoside functionalized G Lambda C base along with a new nitrogen protecting group strategy that is compatible with Boc and Bn groups. Crown Copyright (C) 2010 Published by Elsevier Ltd. All rights reserved.