1,1-dimethylethyl 4-{5-[6-amino-2-(butyloxy)-8-(methyloxy)-9H-purin-9-yl]pentyl}-1-piperazinecarboxylate | 930777-95-0

• 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: 1,1-dimethylethyl 4-{5-[6-amino-2-(butyloxy)-8-(methyloxy)-9H-purin-9-yl]pentyl}-1-piperazinecarboxylate
• 英文别名: 2-butoxy-9-{5-[4-(t-butoxycarbonyl)piperazin-1-yl]pentyl}-8-methoxyadenine；tert-butyl 4-[5-(6-amino-2-butoxy-8-methoxypurin-9-yl)pentyl]piperazine-1-carboxylate
• CAS: 930777-95-0
• 化学式: C₂₄H₄₁N₇O₄
• 分子量: 491.634
• InChiKey: WSJRQIXZVGXIPT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  35
• 可旋转键数：
  13
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  121
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  methyl 2-[3-(2-bromoethoxy)phenyl]acetate 、 1,1-dimethylethyl 4-{5-[6-amino-2-(butyloxy)-8-(methyloxy)-9H-purin-9-yl]pentyl}-1-piperazinecarboxylate 在 三氟乙酸 、 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.5h， 以69%的产率得到2-Butoxy-8-methoxy-9-(5-{4-[2-(3-methoxycarbonylmethylphenyloxy)ethyl]piperazin-1-yl}pentyl)adenine
  参考文献：
  名称：

  EP1939199

  摘要：

  公开号：
• 作为产物：
  描述：

  9-(5-Bromopentyl)-2-butoxy-8-methoxyadenine 、 N-Boc-哌嗪 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 48.0h， 以98%的产率得到1,1-dimethylethyl 4-{5-[6-amino-2-(butyloxy)-8-(methyloxy)-9H-purin-9-yl]pentyl}-1-piperazinecarboxylate
  参考文献：
  名称：

  EP1939199

  摘要：

  公开号：

文献信息

• [EN] PURINE DERIVATIVES FOR USE IN THE TREATMENT OF ALLERGIC, INFLAMMATORY AND INFECTIOUS DISEASES<br/>[FR] DÉRIVÉS PURINES DESTINÉS À ÊTRE UTILISÉS DANS LE TRAITEMENT DE MALADIES ALLERGIQUES, INFLAMMATOIRES ET INFECTIEUSES
  申请人：SMITHKLINE BEECHAM CORP

  公开号：WO2010018131A1

  公开（公告）日：2010-02-18

  Compounds of Formula (I): wherein R1 is C1-6alkylamino, C1-6alkoxy, or C3-7cycloalkyloxy; m is an integer having a value of 2 to 6; R2 is hydrogen, C1-6alkyl, or C3-7cycloalkylC0-6alkyl; and salts thereof are inducers of human interferon. Compounds which induce human interferon may be useful in the treatment of various disorders, for example the treatment of allergic diseases and other inflammatory conditions for example allergic rhinitis and asthma, the treatment of infectious diseases and cancer, and may also be useful as vaccine adjuvants.

  化合物的化学式（I）：其中R1是C1-6烷基氨基，C1-6烷氧基或C3-7环烷氧基；m是一个整数，取值为2到6；R2是氢，C1-6烷基或C3-7环烷基C0-6烷基；以及它们的盐是人类干扰素的诱导剂。诱导人类干扰素的化合物可能在治疗各种疾病方面有用，例如治疗过敏性疾病和其他炎症性疾病，例如过敏性鼻炎和哮喘，治疗传染病和癌症，也可能作为疫苗佐剂有用。
• Novel Adenine Compound
  申请人：Hashimoto Kazuki

  公开号：US20080269240A1

  公开（公告）日：2008-10-30

  An adenine compound useful as a medicine represented by the following formula (1): [wherein R 1 is halogen atom, optionally substituted alkyl group, optionally substituted aryl group, etc.; X is oxygen atom, sulfur atom, a single bond, etc.; A 1 is optionally substituted and optionally saturated 4 to 8 membered heterocyclic group containing 1 to 2 hetero atoms selected from 1 to 3 nitrogen atoms, 0 to 1 oxygen atom, and 0 to 1 sulfur atom; A 2 is optionally substituted 6 to 10 cyclic aromatic hydrocarbon group or optionally substituted 5 to 10 membered heterocyclic aromatic group; L 1 and L 2 are independently, substituted straight or branched alkylene or a single bond, etc.; L 3 is optionally substituted straight or branched alkylene, etc.; R 2 is hydrogen atom, optionally substituted alkyl group.] or its pharmaceutically acceptable salt.

  以下式子（1）所表示的一种腺嘌呤化合物，可用作药物：[其中，R1是卤素原子、可选取代烷基、可选取代芳基等；X是氧原子、硫原子、单键等；A1是可选取代和可饱和的4至8元杂环基，包含1至2个从1至3个氮原子、0至1个氧原子和0至1个硫原子中选取的杂原子；A2是可选取代的6至10环芳烃基或可选取代的5至10元杂环芳烃基；L1和L2是独立的、取代的直链或支链烷基或单键等；L3是可选取代的直链或支链烷基等；R2是氢原子、可选取代烷基等。]或其药学上可接受的盐。
• PURINE DERIVATIVES FOR USE IN THE TREATMENT OF ALLERGIC, INFLAMMATORY AND INFECTIOUS DISEASES
  申请人：Bazin-Lee Helene

  公开号：US20110135671A1

  公开（公告）日：2011-06-09

  The present invention relates to compounds of formula (I): wherein R 1 is C 1-6 alkylamino, C 1-6 alkoxy, or C 3-7 cycloalkyloxy; m is an integer having a value of 2 to 6; R 2 is hydrogen, C 1-6 alkyl, or C 3-7 cycloalkylC 0-6 alkyl; and salts thereof are inducers of human interferon. Compounds which induce human interferon may be useful in the treatment of various disorders, for example the treatment of allergic diseases and other inflammatory conditions for example allergic rhinitis and asthma, the treatment of infectious diseases and cancer, and may also be useful as vaccine adjuvants.

  本发明涉及式(I)的化合物：其中R1是C1-6烷基氨基，C1-6烷氧基或C3-7环烷氧基；m是一个整数，其值为2到6；R2是氢，C1-6烷基或C3-7环烷基C0-6烷基；以及它们的盐是人干扰素的诱导剂。诱导人干扰素的化合物可能在治疗各种疾病方面有用，例如治疗过敏性疾病和其他炎症性疾病，例如过敏性鼻炎和哮喘，治疗传染病和癌症，也可能作为疫苗佐剂有用。
• NOVEL ADENINE COMPOUND
  申请人：Dainippon Sumitomo Pharma Co., Ltd.

  公开号：EP1939199A1

  公开（公告）日：2008-07-02

  An adenine compound useful as a medicine represented by the following formula (1): [wherein R1 is halogen atom, optionally substituted alkyl group, optionally substituted aryl group, etc.; X is oxygen atom, sulfur atom, a single bond, etc.; A1 is optionally substituted and optionally saturated 4 to 8 membered heterocyclic group containing 1 to 2 hetero atoms selected from 1 to 3 nitrogen atoms, 0 to 1 oxygen atom, and 0 to 1 sulfur atom; A2 is optionally substituted 6 to 10 cyclic aromatic hydrocarbon group or optionally substituted 5 to 10 membered heterocyclic aromatic group; L1 and L2 are independently, substituted straight or branched alkylene or a single bond, etc.; L3 is optionally substituted straight or branched alkylene, etc.; R2 is hydrogen atom, optionally substituted alkyl group.] or its pharmaceutically acceptable salt.

  由下式(1)表示的一种可用作药物的腺嘌呤化合物： [其中 R1 是卤素原子、任选取代的烷基、任选取代的芳基等； X 是氧原子、硫原子、单键等； A1 是任选取代的和任选饱和的 4 至 8 个成员的 A1 是任选取代且任选饱和的 4 至 8 个成员的杂环基团，含有 1 至 2 个选自 1 至 3 个氮原子、0 至 1 个氧原子和 0 至 1 个硫原子的杂原子； A2 是任选取代的 6 至 10 个环芳烃基团或任选取代的 5 至 10 个杂环芳烃基团； L1 和 L2 独立地是取代的直链或支链亚烷基或单键等； L3 是任选取代的直链或支链亚烷基等； R2 是氢原子、任选取代的烷基]。 或其药学上可接受的盐。