N-[(1S,2R,3R)-1-(3,5-Difluoro-benzyl)-2,3-dihydroxy-heptyl]-5-methyl-N',N'-dipropyl-isophthalamide | 478404-64-7

• 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-[(1S,2R,3R)-1-(3,5-Difluoro-benzyl)-2,3-dihydroxy-heptyl]-5-methyl-N',N'-dipropyl-isophthalamide
• 英文别名: 1-N-[(2S,3R,4R)-1-(3,5-difluorophenyl)-3,4-dihydroxyoctan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
• CAS: 478404-64-7
• 化学式: C₂₉H₄₀F₂N₂O₄
• 分子量: 518.644
• InChiKey: RWJSXDABPVWKTG-OYUWMTPXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  37
• 可旋转键数：
  14
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  89.9
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  3-(二丙基氨基甲酰基)-5-甲基苯甲酸 、 trifluoroacetate salt of (1S,2R,3R)-1-(3,5-difluorobenzyl)-2,3-dihydroxyheptylamine 生成 N-[(1S,2R,3R)-1-(3,5-Difluoro-benzyl)-2,3-dihydroxy-heptyl]-5-methyl-N',N'-dipropyl-isophthalamide 、 N1-[(1S,2R,3R)-1-(3,5-Difluorobenzyl)-2,3-dihydroxy-octyl]-5-methyl-N3,N3-dipropyl-isophthalamide
  参考文献：
  名称：

  摘要：

  DOI：

文献信息

• Aminediols for the treatment of Alzheimer's disease
  申请人：——

  公开号：US20030092747A1

  公开（公告）日：2003-05-15

  The present invention relates to compounds of formula (I): 1 useful in treating Alzheimer's disease and other similar diseases. These compounds include inhibitors of the beta-secretase enzyme that are useful in the treatment of Alzheimer's disease and other diseases characterized by deposition of A beta peptide in a mammal. The compounds of the invention are useful in pharmaceutical compositions and methods of treatment to reduce A beta peptide formation.

  本发明涉及以下式（I）的化合物，用于治疗阿尔茨海默病和其他类似疾病。这些化合物包括抑制β-分泌酶酶的抑制剂，对治疗阿尔茨海默病和其他由Aβ肽在哺乳动物中沉积而特征化的疾病有用。本发明的化合物在制药组合物和治疗方法中有用，可减少Aβ肽的形成。
• AMINEDIOLS AS AGENTS FOR THE TREATMENT OF ALZHEIMER'S DISEASE
  申请人：Elan Pharmaceuticals, Inc.

  公开号：EP1395251A2

  公开（公告）日：2004-03-10
• US6906104B2
  申请人：——

  公开号：US6906104B2

  公开（公告）日：2005-06-14
• [EN] AMINEDIOLS FOR THE TREATMENT OF ALZHEIMER'S DISEASE<br/>[FR] AMINEDIOLS POUR LE TRAITEMENT DE LA MALADIE D'ALZHEIMER
  申请人：ELAN PHARM INC

  公开号：WO2002100818A2

  公开（公告）日：2002-12-19

  The present invention relates to compounds of formula useful in treating Alzheimer's disease and other similar disease. These compounds include inhibitors of the betasecretase enzyme that are useful in the treatment of Alzheimer's disease and other diseases characterized by deposition of A beta peptide in a mammal. The compounds of the invention are useful in pharmaceutical compositions and methods of treatment to reduce A beta peptide formation.