6N-hexanoyl adenine | 21043-28-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 英文名称: 6N-hexanoyl adenine
• 英文别名: hexanoic acid 7(9)H-purin-6-ylamide；6-Hexanoylamino-purin；N-(7H-purin-6-yl)hexanamide
• CAS: 21043-28-7
• 化学式: C₁₁H₁₅N₅O
• 分子量: 233.273
• InChiKey: UAEDCSYHZIEQPY-UHFFFAOYSA-N

物化性质

• 熔点：
  185-186 °C
• 密度：
  1.35±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  17
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  83.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  己酸 在 potassium carbonate 、 N,N'-二环己基碳二亚胺 作用下， 以 四氢呋喃 、 乙腈 为溶剂， 生成 6N-hexanoyl adenine
  参考文献：
  名称：

  Isolation and synthesis of N-acyladenine and adenosine alkaloids from a southern Australian marine sponge, Phoriospongia sp.

  摘要：

  Chemical fractionation of the southern Australian marine sponge Phoriospongia sp. (CMB-03107) yielded phorioadenine A (1) as a nematocidal agent and the first reported example of a 6-N-acyladenine natural product. The structure of 1 was confirmed by spectroscopic analysis and the chemical synthesis of racemic (1a) and enantiomeric (1b) analogues. HPLC-ESIMS analysis of the crude sponge extract with comparisons to the synthetic 6-N-acyladenosine 2a provided evidence that the biosynthetically related adenosine, phorioadenosine A (2), was present as a trace co-metabolite. The rare starfish metabolite asterubine (3) was also isolated as a co-metabolite, and its structure confirmed by spectroscopic analysis and chemical synthesis. Biological investigations confirmed that natural products 1-3 and synthetic analogues la-e and 2a were not cytotoxic to multiple mammalian cancer cell lines, or Gram-positive or -negative bacteria. Nematocidal activity (inhibition of larval development of Haemonchus contortus) detected in the Phoriospongia sp. extract was attributed to 1 (LD99 31 mu g/mL), with preliminary structure-activity relationship investigations confirming the importance of the N-acyl side chain. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2014.08.116

文献信息

• CELLULOSE ACYLATE FILM, RETARDATION FILM, POLARIZER AND LIQUID CRYSTAL DISPLAY DEVICE
  申请人：NAGURA MASATO

  公开号：US20110076423A1

  公开（公告）日：2011-03-31

  A cellulose acylate film comprising a cellulose acylate resin satisfying the formulae (i)-(iii) and a compound capable of forming a hydrogen bond satisfying conditions (A)-(C): (A) the compound has both a hydrogen bond donor moiety and a hydrogen bond acceptor moiety in the molecule, (B) the value obtained by dividing the molecular weight of the compound by the total of the number of the hydrogen bond donor moiety and the number of the hydrogen bond acceptor moiety is from 30 to 65, (C) the number of aromatic ring structures is from 1 to 3, 0.5≦ A+B ≦2.7,  (i) 0.0≦A≦2.5, and  (ii) 0.1≦B≦2.0,  (iii) wherein A means the degree of substitution with an acetyl group, and B means a total of the degree of substitution with a propionyl group and the degree of substitution with a butyryl group.
• Optical performance humidity dependency improving agent for cellulose acylate film
  申请人：Nagura Masato

  公开号：US20110262661A1

  公开（公告）日：2011-10-27

  An optical performance humidity dependency improving agent for cellulose acylate film, which contains a compound having a nucleic acid base skeleton, is capable of preventing the fluctuation of Re and Rth of the film against the humidity change in usage environments.
• Optical film, retardation film, polarizing plate, and liquid crystal display device
  申请人：Sasada Yasuyuki

  公开号：US20120018685A1

  公开（公告）日：2012-01-26

  An optical film contains a cellulose ester and more than 30% by mass, relative to the cellulose ester, of a condensation product of at least one polyhydric alcohol having an average of 2.01 or more carbon atoms and at least one polybasic acid having an average of 4.10 or more carbon atoms, and at least one of the at least one polyhydric alcohol contains at least three carbon atoms bonded together without being interrupted by any other atom.
• Cellulose Acylate Film, Retardation Film, Polarizer and Liquid Crystal Display Device
  申请人：Nagura Masato

  公开号：US20120204757A1

  公开（公告）日：2012-08-16

  A cellulose acylate film comprising a cellulose acylate resin satisfying the formulae (i)-(iii) and a compound capable of forming a hydrogen bond satisfying conditions (A)-(C): (A) the compound has both a hydrogen bond donor moiety and a hydrogen bond acceptor moiety in the molecule, (B) the value obtained by dividing the molecular weight of the compound by the total of the number of the hydrogen bond donor moiety and the number of the hydrogen bond acceptor moiety is from 30 to 65, (C) the number of aromatic ring structures is from 1 to 3, 0.5≦ A+B ≦2.7,  (i) 0.0≦ A ≦2.5, and  (ii) 0.1≦ B ≦2.0,  (iii) wherein A means the degree of substitution with an acetyl group, and B means a total of the degree of substitution with a propionyl group and the degree of substitution with a butyryl group.
• OPTICAL FILM, PHASE DIFFERENCE FILM, POLARIZING PLATE AND LIQUID CRYSTAL DISPLAY DEVICE
  申请人：SASADA Yasuyuki

  公开号：US20120231217A1

  公开（公告）日：2012-09-13

  An optical film, including: an additive; a wax component; and a cellulose ester, wherein the optical film satisfies the following equations (1) and (2): Equation (1): |ΔC/Ct|≧0.1×(Ct/d−0.3) and Equation (2): Ct/d≧0.375; wherein Ct represents a total content of the additive whose unit is % by mass, d represents a film thickness whose unit is μm, and ΔC is represented by Ct−Cs; wherein Cs represents a surface content of the additive in at least one side of the optical film.