N-benzyl-N-isopentyl-3,5-dinitrobenzamide | 945714-71-6

• 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: N-benzyl-N-isopentyl-3,5-dinitrobenzamide
• 英文别名: NTR-N2A2B3；N-benzyl-N-(3-methylbutyl)-3,5-dinitrobenzamide
• CAS: 945714-71-6
• 化学式: C₁₉H₂₁N₃O₅
• 分子量: 371.393
• InChiKey: MHQIZMMVSQYAAT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  27
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  112
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  苯甲醛 在 4-二甲氨基吡啶 、 N,N-二异丙基乙胺 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 8.0h， 生成 N-benzyl-N-isopentyl-3,5-dinitrobenzamide
  参考文献：
  名称：

  Structure–activity relationships of small molecule inhibitors of RAGE-Aβ binding

  摘要：

  The Receptor for Advanced Glycation Endproducts ('RAGE') mediates transport of amyloid-beta peptide (A beta) into the brain, and is therefore an important target for the development of therapeutic agents for Alzheimer's disease. We describe structure activity relationships for inhibition of RAGE-A beta binding, derived from the analysis of a library of tertiary amides. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2013.05.079

文献信息

• INHIBITING AMYLOID-BETA PEPTIDE/RAGE INTERACTION AT THE BLOOD-BRAIN BARRIER
  申请人：THE UNIVERSITY OF ROCHESTER

  公开号：EP1993527A2

  公开（公告）日：2008-11-26
• EP1993527A4
  申请人：——

  公开号：EP1993527A4

  公开（公告）日：2009-08-05
• ANTIBODIES, COMPOUNDS AND SCREENS FOR IDENTIFYING AND TREATING CACHEXIA OR PRE-CACHEXIA
  申请人：The Broad Institute, Inc.

  公开号：EP3307781B1

  公开（公告）日：2020-10-28
• Inhibiting Amyloid-Beta Peptide/Rage Interaction At The Blood-Brain Barrier
  申请人：Zlokovic Berislav V.

  公开号：US20110039908A1

  公开（公告）日：2011-02-17

  Small molecules are used to inhibit specific receptor-ligand interaction between Alzheimer's amyloid-β peptide (Aβ) and Receptor for Advanced Gly-cation Endproducts (RAGE). Objectives include treating Alzheimer's disease and other pathologies involving cerebral amyloid angiopathy; improving blood flow to or within the brain; decreasing the level of Aβ in the brain; reducing neuropathology associated with Alzheimer's disease; reducing inflammation and/or oxidant stress in the brain; improving memory and/or learning; treating other conditions involving Aβ/RAGE interaction at the blood-brain barrier, RAGE-mediated transport of Aβ into the brain, or RAGE activation in brain vasculature and/or brain parenchyma (e.g., diabetic complications); or any combination thereof.
• US8778985B2
  申请人：——

  公开号：US8778985B2

  公开（公告）日：2014-07-15