3,3-Dimethyl-5-naphthalen-2-yl-pentanal | 181716-50-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 3,3-Dimethyl-5-naphthalen-2-yl-pentanal
• CAS: 181716-50-7
• 化学式: C₁₇H₂₀O
• 分子量: 240.345
• InChiKey: RLFVLSWYDDJKIR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.39
• 重原子数：
  18.0
• 可旋转键数：
  5.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  17.07
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  3,3-Dimethyl-5-naphthalen-2-yl-pentanal 在 盐酸 、 ammonium hydroxide 、 氯化铵 作用下， 以 水 为溶剂， 反应 54.0h， 生成 2-Amino-4,4-dimethyl-6-naphthalen-2-yl-hexanoic acid
  参考文献：
  名称：

  Bioactive hydroxyethylene dipeptide isosteres with hydrophobic (P3-P1)-moieties. A novel strategy towards small non-peptide renin inhibitors

  摘要：

  The design and synthesis of new truncated delta-amino hydroxyethylene dipeptide isosteres lacking the P-4-P-2 peptide backbone is described. The most active compounds 15c and 30c inhibited human renin in the submicromolar range. This promising concept may offer the possibility to discover completely non-peptide, low-molecular weight renin inhibitors with improved pharmacokinetic properties. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/s0960-894x(96)00279-x
• 作为产物：
  描述：

  (E)-3,3-Dimethyl-5-naphthalen-2-yl-pent-4-enoic acid ethyl ester 在 palladium on activated charcoal 氢气 、 二异丁基氢化铝 作用下， 生成 3,3-Dimethyl-5-naphthalen-2-yl-pentanal
  参考文献：
  名称：

  Bioactive hydroxyethylene dipeptide isosteres with hydrophobic (P3-P1)-moieties. A novel strategy towards small non-peptide renin inhibitors

  摘要：

  The design and synthesis of new truncated delta-amino hydroxyethylene dipeptide isosteres lacking the P-4-P-2 peptide backbone is described. The most active compounds 15c and 30c inhibited human renin in the submicromolar range. This promising concept may offer the possibility to discover completely non-peptide, low-molecular weight renin inhibitors with improved pharmacokinetic properties. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/s0960-894x(96)00279-x