2-butoxy-7,8-dihydro-9-{6-[4-(4-methoxylcarbonylpiperidin-1-yl)butoxy]pyridin-3-ylmethyl}-8-oxoadenine | 930293-72-4

• 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-butoxy-7,8-dihydro-9-{6-[4-(4-methoxylcarbonylpiperidin-1-yl)butoxy]pyridin-3-ylmethyl}-8-oxoadenine
• 英文别名: 2-butoxy-7,8-dihydro-9-{6-[4-(4-methoxycarbonylpiperidin-1-yl)butoxy]-pyridin-3-ylmethyl}-8-oxoadenine；methyl 1-[4-[5-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]pyridin-2-yl]oxybutyl]piperidine-4-carboxylate
• CAS: 930293-72-4
• 化学式: C₂₆H₃₇N₇O₅
• 分子量: 527.624
• InChiKey: DZMRWQICWODYHN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  38
• 可旋转键数：
  14
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  145
• 氢给体数：
  2
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  2-butoxy-7,8-dihydro-9-{6-[4-(4-methoxylcarbonylpiperidin-1-yl)butoxy]pyridin-3-ylmethyl}-8-oxoadenine 在 甲醇 、 sodium hydroxide 、 水 、 盐酸 作用下， 以 甲醇 为溶剂， 反应 3.0h， 以75%的产率得到2-butoxy-7,8-dihydro-9-{6-[4-(4-hydroxycarbonylpiperidin-1-yl)butoxy]-pyridin-3-ylmethyl}-8-oxoadenine
  参考文献：
  名称：

  EP1939201

  摘要：

  公开号：
• 作为产物：
  描述：

  2-butoxy-8-methoxy-9-{6-[4-(4-methoxylcarbonylpiperidin-1-yl)butoxy]pyridin-3-ylmethyl}adenine 在 盐酸 、 氨 、 水 作用下， 以 甲醇 为溶剂， 反应 3.0h， 以70%的产率得到2-butoxy-7,8-dihydro-9-{6-[4-(4-methoxylcarbonylpiperidin-1-yl)butoxy]pyridin-3-ylmethyl}-8-oxoadenine
  参考文献：
  名称：

  EP1939201

  摘要：

  公开号：

文献信息

• Nitroderivatives as drugs for diseases having an inflammatory basis
  申请人：——

  公开号：US20040023933A1

  公开（公告）日：2004-02-05

  Use for the treatment of diseases having an inflammatory basis of compounds or salts thereof, having the following general formula (I): A-X t -L-(W) p —NO 2 wherein A contains the radical of a drug, X t and W arc bivalent radicals, L, is a covalent bond or oxygen, sulphur, NR tc wherein R tc is H or a C 1 -C 5 linear or branched alkyl.

  用于治疗具有炎症基础的疾病的化合物或其盐，具有以下一般公式（I）：A-X t -L-(W) p —NO 2 其中A含有药物的自由基，X t 和W是二价基团，L是共价键或氧、硫、NR tc ，其中R tc 是H或C 1 -C 5 的直链或支链烷基。
• NITRODERIVATIVES AS DRUGS FOR DISEASES HAVING AN INFLAMMATORY BASIS
  申请人：DEL SOLDATO Piero

  公开号：US20080194651A1

  公开（公告）日：2008-08-14

  Use for the treatment of diseases having an inflammatory basis of compounds or salts thereof, Having the following general formula (I): A-X 1 -L-(W) p —NO 2 wherein A contains the radical of a drug, X 1 and W are bivalent radicals, L is a covalent bond or oxygen, sulphur, NR 1e wherein R 1e is H or a C 1 -C 5 linear or branched alkyl.

  用于治疗具有炎症基础的疾病的化合物或其盐，其具有以下通式（I）：A-X1-L-(W)p—NO2，其中A包含药物的基团，X1和W是双价基团，L是共价键或氧，硫，NR1，其中R1是H或C1-C5线性或支链烷基。
• NITRODERVIATIVES AS DRUGS FOR DISEASES HAVING AN INFLAMMATORY BASIS
  申请人：DEL SOLDATO Piero

  公开号：US20090075952A1

  公开（公告）日：2009-03-19

  Use for the treatment of diseases having an inflammatory basis of compounds or salts thereof, having the following general formula (I): A-X 1 -L-(W) p -NO 2 wherein A contains the radical of a drug, X 1 and W are bivalent radicals, L is a covalent bond or oxygen, sulphur, NR 1c wherein R 1c is H or a C 1 -C 5 linear or branched alkyl.

  用于治疗具有炎症基础的疾病的化合物或其盐，其具有以下一般式（I）：A-X1-L-（W）p-NO2，其中A包含药物的基团，X1和W是二价基团，L是共价键或氧，硫，NR1c，其中R1c是H或C1-C5线性或支链烷基。
• NOVEL ADENINE COMPOUND
  申请人：Isobe Yoshiaki

  公开号：US20090105212A1

  公开（公告）日：2009-04-23

  A novel adenine compound represented by the formula (1): wherein A represents an (un)substituted aromatic carbocycle or (un)substituted aromatic heterocycle; L 1 , L 2 , and L 3 each independently represents linear or branched alkylene, etc.; R 1 represents (un)substituted alkyl, (un)substituted aryl, etc.; R 2 represents hydrogen or (un) substituted alkyl; R 3 represents (un)substituted alkyl, etc., provided that R 3 may be bonded to L 2 or L 3 to form a nitrogenous saturated heterocycle; and X represents oxygen, etc.; or a pharmaceutically acceptable salt of the compound. The compound and salt are useful as a medicine.

  一种新型腺嘌呤类化合物，其化学式为（1）：其中A代表（未）取代芳香族碳环或（未）取代芳香族杂环；L1，L2和L3分别独立地代表线性或支链烷基等；R1代表（未）取代烷基，（未）取代芳基等；R2代表氢或（未）取代烷基；R3代表（未）取代烷基等，但R3可与L2或L3结合形成含氮饱和杂环；X代表氧等；或该化合物的药学上可接受的盐。该化合物和盐作为药物有用。
• Novel polymer, light-emitting device material and light-emitting device using the same
  申请人：——

  公开号：US20010012572A1

  公开（公告）日：2001-08-09

  Disclosed are a novel polymer comprising at least one partial structure represented by the following formula (I), (II) or (III), a light-emitting device material which is the polymer, and a light-emitting device using the material: 1 wherein Ar 1 represents a conjugate unsaturated group exclusive of a nitrogen-containing heterocyclic ring having 2 or more nitrogen atoms, m and n each represents a partial ratio by mol in the polymer and satisfies the condition that m+n=100 where n is a numerical value of 0 to less than 100, R 1 represents hydrogen atom or a substituent, provided that when Ar 1 is a substituted fluorene ring or an alkoxy-substituted benzene ring, n is not a value of 50, Ar 2 represents a conjugate unsaturated group exclusive of a conjugate unsaturated group comprising a benzene ring substituted at two or more positions by an alkyl group having 12 or more carbon atoms, an alkoxy group having 16 or more carbon atoms, an alkoxycarbonyl group having 12 or more carbon atoms or an acyloxy group having 12 or more carbon atoms, and a conjugate unsaturated group comprising a nitrogen-containing heterocyclic ring having a 2,6-pyridinediyl group and 2 or more nitrogen atoms, p and q each represents an arbitrary partial ratio by mol in the polymer but is not a numerical value of 0 or 100, R 2 represents hydrogen atom or a substituent, Ar 3 represents a heteroarylene group having 2 or more nitrogen atoms, Ar 4 represents a conjugate unsaturated group, and r and s each represents a molar percentage in the polymer and satisfies the condition that r+s=100 where s is a numerical value of 0 to less than 100, provided that when Ar 3 is a 2,2′-dipyridyl-4,4′-diyl group or a 2,5-pyrazinediyl group, s is not a value of 0 or 50.

  本发明公开了一种新型聚合物，该聚合物至少包含一种由下式（I）、（II）或（III）表示的部分结构；一种使用该聚合物的发光器件材料；以及一种使用该材料的发光器件： 1 其中 Ar 1 代表共轭不饱和基团，不包括具有 2 个或 2 个以上氮原子的含氮杂环，m 和 n 分别代表聚合物中的部分摩尔比，并满足 m+n=100 的条件，其中 n 是 0 至小于 100 的数值，R 1 代表氢原子或取代基，但当 Ar 1 是取代的芴环或烷氧基取代的苯环时，n 的数值不为 50，Ar 2 代表共轭不饱和基团，不包括在两个或两个以上位置被具有 12 个或 12 个以上碳原子的烷基、具有 16 个或 16 个以上碳原子的烷氧基、具有 12 个或 12 个以上碳原子的烷氧羰基或具有 12 个或 12 个以上碳原子的酰氧基取代的苯环组成的共轭不饱和基团、和一个共轭不饱和基团，该共轭不饱和基团包含一个含氮杂环，该杂环具有一个 2,6-吡啶二基和 2 个或多个氮原子，p 和 q 分别代表聚合物中任意的部分摩尔比，但不是 0 或 100 的数值。 2 代表氢原子或取代基，Ar 3 代表具有 2 个或 2 个以上氮原子的杂芳基，Ar 4 代表共轭不饱和基团，r 和 s 分别代表聚合物中的摩尔百分比，并满足 r+s=100 的条件，其中 s 是 0 至小于 100 的数值，条件是当 Ar 3 是 2,2′-二吡啶-4,4′-二基或 2,5-吡嗪二基时，s 的数值不是 0 或 50。