benzo[1,3]dioxole-5-carboxylic acid N-[1(S)-(4-hydroxycarbamoyl-phenylcarbamoyl)-2-naphthalen-2-yl-ethyl]-amide | 873113-53-2

• 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: benzo[1,3]dioxole-5-carboxylic acid N-[1(S)-(4-hydroxycarbamoyl-phenylcarbamoyl)-2-naphthalen-2-yl-ethyl]-amide
• 英文别名: N-[(2S)-1-[4-(hydroxycarbamoyl)anilino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1,3-benzodioxole-5-carboxamide
• CAS: 873113-53-2
• 化学式: C₂₈H₂₃N₃O₆
• 分子量: 497.507
• InChiKey: ZIMMWNKIYQOOMY-QHCPKHFHSA-N

物化性质

• 密度：
  1.415±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  37
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  126
• 氢给体数：
  4
• 氢受体数：
  6

文献信息

• DERIVATIVES OF N-HYDROXYBENZAMIDE FOR TREATING HIV INFECTIONS
  申请人：Dinarello Charles

  公开号：US20120203014A1

  公开（公告）日：2012-08-09

  Herein disclosed is a method for treating patients affected by HIV comprising administering N-hydroxy-benzamide-based histone deacetylase inhibitors, such as: diethyl-[6-(4-hydroxycarbamoyl-phenyl-carbamoyloxymethyl)-naphtalen-2-yl-methyl]-ammonium chloride; 4-(2-(S)-benzoylamino-3-naphtalen-2-yl-propionylamino)-N-hydroxy-benzamide; and/or benzo[1,3]dioxole-5-carboxylic acid [1(S)-(4-hydroxycarbamoyl-phenylcarbamoyl)-2-naphtalen-2-yl-ethyl]-amide. Such histone deacetylase inhibitors are administered in a dosage ranging from 50 to 200 mg/day, preferably from 100 to 200 mg/day, so as to obtain a blood concentration between 125 and 250 nM.
• US8637702B2
  申请人：——

  公开号：US8637702B2

  公开（公告）日：2014-01-28
• [EN] DERIVATIVES OF N-HYDROXYBENZAMIDE FOR TREATING HIV INFECTIONS<br/>[FR] DÉRIVÉS DE N-HYDROXYBENZAMIDE POUR TRAITER LES INFECTIONS PAR LE VIH
  申请人：ITALFARMACO SPA

  公开号：WO2011048514A1

  公开（公告）日：2011-04-28

  Herein disclosed is a method for treating patients affected by HIV comprising administering N-hydroxy-benzamide-based histone deacetylase inhibitors, such as: • diethyl-[6-(4-hydroxycarbamoyl-phenyl-carbamoyloxymethyl)-naphtalen-2-yl- methyl] -ammonium chloride; • 4-(2-(S)-benzoylamino-3-naphtalen-2-yl-propionylamino)-N-hydroxy- benzamide; and/or • benzo[l,3]dioxole-5-carboxylic acid [l(S)-(4-hydroxycarbamoyl- phenylcarbamoyl)-2-naphtalen-2-yl-ethyl]-amide. Such histone deacetylase inhibitors are administered in a dosage ranging from 50 to 200 mg/day, preferably from 100 to 200 mg/day, so as to obtain a blood concentration between 125 and 250 nM.