2-butyl-6-hydroxypurine

• 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: 2-butyl-6-hydroxypurine
• 英文别名: 2-Butyl-1,7-dihydropurin-6-one；2-butyl-1,7-dihydropurin-6-one
• 化学式: C₉H₁₂N₄O
• 分子量: 192.22
• InChiKey: BLKBYSKHBSHJAV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  70.1
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  N-(5-Carbamoyl-3H-imidazol-4-yl)-pentanimidic acid methyl ester 反应 0.25h， 以46%的产率得到2-butyl-6-hydroxypurine
  参考文献：
  名称：

  Biagi; Giorgi; Livi, Il Farmaco, 1993, vol. 48, # 3, p. 357 - 374

  摘要：

  DOI：

文献信息

• Synthesis and methods of use of purine analogues and derivatives
  申请人：——

  公开号：US20020156277A1

  公开（公告）日：2002-10-24

  A purine derivative or analogue comprises a 9-atom bicyclic moiety, moiety A, linked through a linker L to a moiety B, where B is a carboxylic acid, a carboxylic acid ester, or a moiety of the structure N(Y 1 )—D, where Y 1 can be one of a variety of substituents, including hydrogen or alkyl, and D is a moiety that enhances the pharmacological effects, promotes absorption or blood-brain barrier penetration of the derivative or analogue. The moiety A has a six-membered ring fused to a five-membered ring. The moiety A can have one, two, or three nitrogen atoms in the five membered ring and has two nitrogen atoms in the six-membered ring. The moiety A can be a purine moiety. The moiety B can be one of a variety of moieties, including moieties having nootropic activity or other biological or physiological activity.

  一种嘌呤衍生物或类似物包括一个由9个原子构成的双环基团A，通过一个连接基团L连接到一个基团B，其中B是一个羧酸、羧酸酯，或者结构为N(Y1)—D的基团，其中Y1可以是多种取代基之一，包括氢或烷基，D是一个增强药理效应、促进衍生物或类似物吸收或穿透血脑屏障的基团。基团A具有一个与一个五元环融合的六元环。基团A在五元环中可以有一个、两个或三个氮原子，并且在六元环中有两个氮原子。基团A可以是一个嘌呤基团。基团B可以是多种基团之一，包括具有智力活性或其他生物学或生理活性的基团。
• 8-Oxoadenine Compound
  申请人：Ogita Haruhisa

  公开号：US20070225303A1

  公开（公告）日：2007-09-27

  An 8-oxoadenine compound useful as an immuno-modulator having specific activity against Th1/Th2, specifically a prophylactic and therapeutic agent for a topical application for allergic diseases, viral diseases and cancers, which is represented by the following formula (1): wherein A is a group of a formula represented by the formula (2): wherein R 2 is a substituted or unsubstituted alkyl group and so on, R 3 is hydrogen atom or an alkyl group, R is a halogen atom and so on, n is 0˜2, X 1 is oxygen atom, Z is straight or branched chain alkylene, and R 1 is an alkyl group which is optionally substituted by hydroxy group, an alkoxy group, alkoxycarbonyl group and so on, or its pharmaceutically acceptable salt.

  一种8-氧腺嘌呤化合物，可用作免疫调节剂，对Th1 / Th2具有特定活性，特别是用于过敏性疾病，病毒性疾病和癌症的局部应用的预防和治疗剂，其化学式（1）如下：其中A是由式（2）表示的式的基团：其中R2是取代或未取代的烷基基团等，R3是氢原子或烷基基团，R是卤素原子等，n为0〜2，X1为氧原子，Z为直链或支链烷基，R1为烷基基团，可选地由羟基基团，烷氧基基团，烷氧羰基基团等取代，或其药学上可接受的盐。
• 8-OXOADENINE COMPOUND
  申请人：Dainippon Sumitomo Pharma Co., Ltd.

  公开号：EP1728792A1

  公开（公告）日：2006-12-06

  An 8-oxoadenine compound useful as an immuno-modulator having specific activity against Th1/Th2, specifically a prophylactic and therapeutic agent for a topical application for allergic diseases, viral siseases and cancers, which is represented by the following formula (1): , wherein A is a group of a formula represented by the formula (2): , wherein R2 is a substituted or unsubstituted alkyl group and so on, R3 is hydrogen atom or an alkyl group, R is a halogen atom and so on, n is 0-2, X1 is oxygen atom, Z is straight or branched chain alkylene, and R1 is an alkyl group which is optionally substituted by hydroxy group, an alkoxy group, alkoxycarbonyl group and so on, or its pharmaceutically acceptable salt.

  一种 8-氧代腺嘌呤化合物，可用作对 Th1/Th2 具有特异性活性的免疫调节剂，特别是用于过敏性疾病、病毒性疾病和癌症的局部预防和治疗剂，由下式（1）表示： 其中 A 是由式（2）表示的一个式组： 其中 R2 是取代或未取代的烷基等，R3 是氢原子或烷基，R 是卤素原子等、 n 为 0-2、 X1 是氧原子，Z 是直链或支链亚烷基，R1 是可选被羟基、烷氧基、烷氧羰基等取代的烷基、 或其药学上可接受的盐。
• EP1728792
  申请人：——

  公开号：——

  公开（公告）日：——
• [EN] SNYTHESIS AND METHODS OF USE OF PURINE ANALOGUES AND DERIVATIVES<br/>[FR] SYNTHESE ET PROCEDES D'UTILISATION D'ANALOGUES ET DE DERIVES DE PURINE
  申请人：NEOTHERAPEUTICS INC

  公开号：WO2002085904A1

  公开（公告）日：2002-10-31

  A purine derivative or analogue comprises a 9-atom bicyclic moiety, moiety A, linked through a linker L to a moiety B, where B is a carboxylic acid, a carboxylic acid ester, or a moiety of the structure N(Y1)-D, where Y1 can be one of a variety of substituents, including hydrogen or alkyl, and D is a moiety that enhances the pharmacological effects, promotes absorption or blood-brain barrier penetration of the derivative or analogue. The moiety A has a six-membered ring fused to a five-membered ring. The moiety A can have one, two, or three nitrogen atoms in the five membered ring and has two nitrogen atoms in the six-membered ring. The moiety A can be a purine moiety. The moiety B can be one of a variety of moieties, including moieties having nootropic activity or other biological or physiological activity.