di-Boc-DL-His-OH | 77205-61-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: di-Boc-DL-His-OH
• 英文别名: Nα,Nϖ-di-Boc-DL-histidine；2-[(2-Methylpropan-2-yl)oxycarbonylamino]-3-[3-[(2-methylpropan-2-yl)oxycarbonyl]imidazol-4-yl]propanoic acid
• CAS: 77205-61-9
• 化学式: C₁₆H₂₅N₃O₆
• 分子量: 355.391
• InChiKey: WYYXWWWBQHNNAS-UHFFFAOYSA-N

物化性质

• 密度：
  1.22±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  25
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  120
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  4-((2-((4-cyanophenyl)amino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-yl)oxy)-3,5-dimethylbenzonitrile 、 di-Boc-DL-His-OH 在 O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 tert-butyl 5-[3-[2-(4-cyanoanilino)-4-(4-cyano-2,6-dimethylphenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]imidazole-1-carboxylate
  参考文献：
  名称：

  [EN] PYRIMIDINE-BASED BICYCLES AS ANTIVIRAL AGENTS FOR THE TREATMENT AND PREVENTION OF HIV INFECTION
  [FR] BICYCLES À BASE DE PYRIMIDINE UTILISÉS EN TANT QU'AGENTS ANTIVIRAUX POUR LE TRAITEMENT ET LA PRÉVENTION D'UNE INFECTION PAR LE VIH

  摘要：

  本发明涉及具有抑制HIV复制作用的嘧啶衍生物。本发明提供了新的嘧啶化合物，用于治疗和预防HIV介导的疾病。该发明还涉及含有药物的制药组合物。该发明还涉及上述化合物在治疗和/或预防HIV感染（人类免疫缺陷病毒）的受HIV感染的受试者或有HIV感染风险的受试者中的使用。

  公开号：

  WO2021167495A1

文献信息

• CATIONIC LIPIDS
  申请人：Manoharan Muthiah

  公开号：US20090163705A1

  公开（公告）日：2009-06-25

  Cyclic lipid moieties are described herein.

  本文描述了循环脂质基团。
• Indeno[1,2-c]isoquinolin-5,11-diones conjugated to amino acids: Synthesis, cytotoxicity, DNA interaction, and topoisomerase II inhibition properties
  作者：Gang Ahn、Amélie Lansiaux、Jean-François Goossens、Christian Bailly、Brigitte Baldeyrou、Nadège Schifano-Faux、Pierre Grandclaudon、Axel Couture、Adina Ryckebusch

  DOI：10.1016/j.bmc.2010.08.025

  日期：2010.11.15

  Three series of indeno[1,2-c]isoquinolin-5,11-dione-amino acid conjugates were designed and synthesized. Amino acids were connected to the tetracycle through linkers with lengths of n = 2 and 3 atoms using ester (series I), amide (series II), and secondary amine (series III) functions. DNA binding was evaluated by thermal denaturation and fluorescence measurements. Lysine and arginine substituted derivatives with n = 3 provided the highest DNA binding. Arginine derivative 32 (n = 2, series II) and glycine derivative 34 (n = 2, series III) displayed high topoisomerase II inhibition. Incrementing the length of the N-6 side chain from two to three methylene units provided a significant increase in DNA affinity but a substantial loss in topoisomerase II inhibition. The most cytotoxic compounds toward HL60 leukemia cells were 19, 33, and 34 displaying micromolar IC50 values. When tested with the topoisomerase II-mutated HL60/MX2 cell line, little variation of IC50 values was found, suggesting that topoisomerase II might not be the main target of these compounds and that additional targets could be involved. (C) 2010 Elsevier Ltd. All rights reserved.
• BENZOCYCLOHEXYLIMIDAZOLETHIONE DERIVATIVES
  申请人：Syntex (U.S.A.) LLC

  公开号：EP0757677B1

  公开（公告）日：2003-06-18
• US5538988A
  申请人：——

  公开号：US5538988A

  公开（公告）日：1996-07-23
• US5719280A
  申请人：——

  公开号：US5719280A

  公开（公告）日：1998-02-17