6-methyl-N-(2-oxoazepan-3-yl)octanamide

• 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: 6-methyl-N-(2-oxoazepan-3-yl)octanamide
• 化学式: C₁₅H₂₈N₂O₂
• 分子量: 268.4
• InChiKey: KHXOPNKILPCHOZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  19
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.87
• 拓扑面积：
  58.2
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2-甲基丁醛 在 palladium on activated charcoal sodium hydroxide 、 氢气 、 sodium ethanolate 、 三甲基乙酰氯 、 三乙胺 作用下， 以 甲醇 、 乙醇 为溶剂， 25.0 ℃ 、101.33 kPa 条件下， 反应 19.0h， 生成 6-methyl-N-(2-oxoazepan-3-yl)octanamide
  参考文献：
  名称：

  Isolation and synthesis of caprolactins A and B, new caprolactams from a marine bacterium

  摘要：

  Two new caprolactams have been isolated from an unidentified Gram-positive bacterium obtained from a deep-ocean sediment sample. Caprolactins A (1) and B (2), which were obtained as an inseparable mixture, are composed of cyclic-L-lysine linked to 7-methyloctanoic acid and 6-methyloctanoic acid, respectively. The structures were proposed using spectroscopic methods and confirmed by synthesis. Both caprolactins A and B are cytotoxic towards human epidermoid carcinoma (KB) cells and human colorectal adenocarcinoma (LoVo) cells and exhibit antiviral activity towards Herpes simplex type II virus.

  DOI：

  10.1016/s0040-4020(01)81825-1

文献信息

• DIPEPTIDE-BASED PRODRUG LINKERS FOR ALIPHATIC AMINE-CONTAINING DRUGS
  申请人：Ascendis Pharma A/S

  公开号：EP2525830B1

  公开（公告）日：2016-05-11
• US9062094B2
  申请人：——

  公开号：US9062094B2

  公开（公告）日：2015-06-23
• US9533056B2
  申请人：——

  公开号：US9533056B2

  公开（公告）日：2017-01-03
• [EN] DIPEPTIDE-BASED PRODRUG LINKERS FOR ALIPHATIC AMINE-CONTAINING DRUGS<br/>[FR] LIEURS DE PRÉCURSEURS À BASE DE DIPEPTIDES POUR DES MÉDICAMENTS CONTENANT DES AMINES ALIPHATIQUES
  申请人：ASCENDIS PHARMA AS

  公开号：WO2011089216A1

  公开（公告）日：2011-07-28

  The present invention relates to a prodrug or a pharmaceutically acceptable salt thereof, comprising a drug linker conjugate D-L, wherein D being a biologically active moiety containing an aliphatic amine group is conjugated to one or more polymeric carriers via dipeptide-containing linkers L. Such carrier-linked prodrugs achieve drug releases with therapeutically useful half-lives. The invention also relates to pharmaceutical compositions comprising said prodrugs and their use as medicaments.
• Isolation and synthesis of caprolactins A and B, new caprolactams from a marine bacterium
  作者：Bradley S. Davidson、Robert W. Schumacher

  DOI：10.1016/s0040-4020(01)81825-1

  日期：1993.7

  Two new caprolactams have been isolated from an unidentified Gram-positive bacterium obtained from a deep-ocean sediment sample. Caprolactins A (1) and B (2), which were obtained as an inseparable mixture, are composed of cyclic-L-lysine linked to 7-methyloctanoic acid and 6-methyloctanoic acid, respectively. The structures were proposed using spectroscopic methods and confirmed by synthesis. Both caprolactins A and B are cytotoxic towards human epidermoid carcinoma (KB) cells and human colorectal adenocarcinoma (LoVo) cells and exhibit antiviral activity towards Herpes simplex type II virus.