7-(4-hydroxybutyl)guanine | 93905-74-9

• 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: 7-(4-hydroxybutyl)guanine
• 英文别名: 7-(4-Hydroxybutyl)guanine；2-amino-7-(4-hydroxybutyl)-1H-purin-6-one
• CAS: 93905-74-9
• 化学式: C₉H₁₃N₅O₂
• 分子量: 223.235
• InChiKey: CHPDJXKQSWXICQ-UHFFFAOYSA-N

物化性质

• 密度：
  1.63±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1.2
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  106
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  鸟嘌呤 在 盐酸 、 sodium hydroxide 、 potassium carbonate 作用下， 反应 40.0h， 生成 7-(4-hydroxybutyl)guanine
  参考文献：
  名称：

  Studies on the Alkylation of Guanine. 2. The Synthesis of Acyclic Guanosine Analogs via the Precursor 7-Methyl-10-oxo-9,10-dihydropyrimido[1,2-a]purine.

  摘要：

  DOI：

  10.3891/acta.chem.scand.40b-0310

文献信息

• Regioselective alkylation of guanine<i>via</i>diacyloxyglyoxal-<i>N</i>²-acetylguanine adduct to obtain 7-alkylguanine derivatives. Studies on alkylation of guanine I
  作者：Jonas Kjellberg、Nils Gunnar Johansson

  DOI：10.1002/jhet.5570230264

  日期：1986.3

  The acylated guanine-glyoxal adduct (I) has been alkylated with 4-bromobutyl acetate and in the presence of sodium hydride the reaction was regioselective to give 7-alkylguanine.

  酰化的鸟嘌呤-乙二醛加合物（I）已经用乙酸4-溴丁酯烷基化，并且在氢化钠存在下，该反应是区域选择性的，得到7-烷基鸟嘌呤。
• Regioselective alkylation of 6-(β-methoxyethoxy)guanine to give the 9-alkylguanine derivative
  作者：Jonas Kjellberg、Magnus Liljenberg、Nils Gunnar Johansson

  DOI：10.1016/s0040-4039(00)84125-8

  日期：1986.1
• KJELLBERG, J.;HAGBERG, C. -E.;MALM, A.;NOREN, J. O.;JOHANSSON, N. G., ACTA CHEM. SCAND., 1986, 40, N 4, 310-312
  作者：KJELLBERG, J.、HAGBERG, C. -E.、MALM, A.、NOREN, J. O.、JOHANSSON, N. G.

  DOI：——

  日期：——
• KJELLBERG, J.;LILJENBERG, M.;JOHANSSON, N. G., TETRAHEDRON LETT., 1986, 27, N 7, 877-880
  作者：KJELLBERG, J.、LILJENBERG, M.、JOHANSSON, N. G.

  DOI：——

  日期：——
• [EN] ANTIVIRAL AGENTS<br/>[FR] AGENTS ANTIVIRAUX
  申请人：COMMW SCIENT IND RES ORG

  公开号：WO2001094348A1

  公开（公告）日：2001-12-13

  This invention relates to a compound of general formula (I) wherein: R1 is hydrogen, halogen, hydroxy, azide, optionally substituted alkoxy, optionally substituted aryloxy, mercapto, optionally substituted thio, optionally substituted amino, optionally substituted hydrazino, or optionally substituted seleno; R2 is hydrogen, halogen, hydroxy, azide, mercapto, optionally substituted thio, or optionally substituted amino; R3 is selected from hydrogen, halogen, hydroxy, optionally substituted alkyl, optionally substituted alkoxy, optionally substituted alkenyl, optionally substituted alkenyloxy, optionally substituted alkenyloxyalkyl, mercapto, optionally substituted thio, optionally substituted amino, azide, optionally substituted aryloxy, optionally substituted acyl, optionally substituted acyloxy, carboxylic acid, optionally substituted carboxylic ester, optionally substituted carboxylic amide, optionally substituted thioester, optionally substituted sulphonyl, or -O-alkyl-P(O)(OR5)(OR6) or -O-alkyl-P-alkyl-(O)(OR5), wherein R?5 and R6¿ are independently selected from hydrogen, alkyl, ammonium, triethylammonium or an alkali metal or alkaline earth metal ion; R4 together with the oxygen atom to which it is attached forms a hydroxy group, an ester, a carbonate, a carbamate, or a thiocarbonate and salts thereof or -O-alkyl-P(O)(OR5)(OR6) or -O-alkyl-P-alkyl(O)(OR5)(OR6), wherein R?5 and R6¿ are defined above; and n is an integer from 0 to 3, or salts, derivatives, prodrugs, tautomers and/or isomers thereof.