6-amino-2-butoxy-9-(4-morpholin-4-ylmethylbenzyl)-7,9-dihydropurin-8-one | 1059069-30-5

• 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: 6-amino-2-butoxy-9-(4-morpholin-4-ylmethylbenzyl)-7,9-dihydropurin-8-one
• 英文别名: 6-amino-2-butoxy-9-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-7H-purin-8-one
• CAS: 1059069-30-5
• 化学式: C₂₁H₂₈N₆O₃
• 分子量: 412.492
• InChiKey: OECOWTLLGOTKMZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  30
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  106
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  吗啉 、 6-amino-9-(4-chloromethylbenzyl)-2-butoxy-7,9-dihydropurin-8-one hydrochloride 在 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 以79%的产率得到6-amino-2-butoxy-9-(4-morpholin-4-ylmethylbenzyl)-7,9-dihydropurin-8-one
  参考文献：
  名称：

  EP2133353

  摘要：

  公开号：

文献信息

• Novel adenine compound and use thereof
  申请人：Isobe Yoshiaki

  公开号：US20060052403A1

  公开（公告）日：2006-03-09

  A drug for topically administration which is effective as an antiallergic agent. The drug for topically administration contains as an active ingredient an adenine compound represented by the general formula (1): [wherein ring A represents a 6 to 10 membered, mono or bicyclic, aromatic hydrocarbon or a 5 to 10 membered, mono or bicyclic, aromatic heterocycle containing one to three heteroatoms selected among 0 to 2 nitrogen atoms, 0 or 1 oxygen atom, and 0 or 1 sulfur atom; n is an integer of 0 to 2; m is an integer of 0 to 2; R represents halogeno, (un)substituted alkyl, etc.; X 1 represents oxygen, sulfur, NR 1 (R 1 represents hydrogen or alkyl), or a single bond; Y 1 represents a single bond, alkylene, etc.; Y 2 represents a single bond, alkylene, etc.; Z represents alkylene; and at least one of Q 1 and Q 2 represents —COOR 10 (wherein R 10 represents (un)substituted alkyl, etc.), etc.] or a pharmaceutically acceptable salt of the compound.

  一种适用于局部给药的药物，作为抗过敏剂有效。该药物含有一种腺嘌呤化合物作为活性成分，该化合物由通式（1）表示：[其中环A表示6-10个成员、单环或双环、芳香烃或含有1-3个杂原子（选自0-2个氮原子、0或1个氧原子和0或1个硫原子）的5-10个成员、单环或双环、芳香杂环；n为0-2的整数；m为0-2的整数；R表示卤素、（未）取代的烷基等；X1表示氧、硫、NR1（R1表示氢或烷基）或单键；Y1表示单键、亚烷基等；Y2表示单键、亚烷基等；Z表示亚烷基；Q1和Q2中至少一个表示—COOR10（其中R10表示（未）取代的烷基等），等等]或该化合物的药学上可接受的盐。
• NOVEL ADENINE COMPOUND
  申请人：Isobe Yoshiaki

  公开号：US20100093998A1

  公开（公告）日：2010-04-15

  A novel adenine compound represented by the formula (1): wherein A represents an (un)substituted aromatic carbocycle or (un)substituted aromatic heterocycle; L 1 and L 2 each independently represents straighted or branched alkylene, etc.; R 1 represents halogen, (un)substituted alkyl, (un)substituted alkenyl, (un)substituted alkynyl, (un)substituted cycloalkyl, (un)substituted aryl, or (un)substituted heteroaryl; R 2 and R 3 each independently represents hydrogen, or (un)substituted alkyl, (un)substituted alkenyl, (un)substituted alkynyl, (un)substituted cycloalkyl, (un)substituted saturated heterocycle, (un)substituted aryl, or (un)substituted heteroaryl, or R 2 combines together with L 2 or R 3 to form (un)substituted 4- to 8-membered nitrogen-containing saturated heterocycle; X is oxygen, sulfur, SO, SO 2 , NR 7 , NR 7 CO wherein R 7 is hydrogen or alkyl, or a single bond; provided that X is a single bond when R 1 is halogen, or a pharmaceutically acceptable salt thereof. The compound and salt are useful as a medicine.

  一种新型腺嘌呤化合物，其化学式为（1）：其中A代表（未）取代的芳香族碳环或（未）取代的芳香族杂环；L1和L2各自独立地代表直链或支链烷基等；R1代表卤素，（未）取代的烷基，（未）取代的烯基，（未）取代的炔基，（未）取代的环烷基，（未）取代的芳基或（未）取代的杂芳基；R2和R3各自独立地代表氢，或（未）取代的烷基，（未）取代的烯基，（未）取代的炔基，（未）取代的环烷基，（未）取代的饱和杂环，（未）取代的芳基或（未）取代的杂芳基，或R2与L2或R3结合形成（未）取代的含氮饱和杂环，其大小为4到8个成员；X为氧、硫、SO、SO2、NR7、NR7CO，其中R7为氢或烷基，或单键；但当R1为卤素时，X为单键，或其药学上可接受的盐。该化合物及其盐可用作药物。
• NOVEL ADENINE COMPOUND AND USE THEREOF
  申请人：ISOBE Yoshiaki

  公开号：US20120178743A1

  公开（公告）日：2012-07-12

  An antiallergic agent for topical administration containing an adenine compound of general formula (1): [wherein ring A represents a 6 to 10 membered, mono or bicyclic, aromatic hydrocarbon or a 5 to 10 membered, mono or bicyclic, aromatic heterocycle containing one to three heteroatoms selected among 0 to 2 nitrogen atoms, 0 or 1 oxygen atom, and 0 or 1 sulfur atom; n is an integer of 0 to 2; m is an integer of 0 to 2; R represents halogeno, (un)substituted alkyl, etc.; X 1 represents oxygen, sulfur, NR 1 (R 1 represents hydrogen or alkyl), or a single bond; Y 1 represents a single bond, alkylene, etc.; Y 2 represents a single bond, alkylene, etc.; Z represents alkylene; and at least one of Q 1 and Q 2 represents —COOR 10 (wherein R 10 represents (un)substituted alkyl, etc.), etc.] or a pharmaceutically acceptable salt of the compound.

  一种用于局部给药的抗过敏剂，包含一种通式（1）的腺嘌呤化合物：[其中环A代表一个6到10个成员的单环或双环芳香烃或一个5到10个成员的单环或双环芳香杂环，其中包含1到3个杂原子，选择自0到2个氮原子，0或1个氧原子和0或1个硫原子；n是0到2的整数；m是0到2的整数；R代表卤素，（未）取代的烷基等；X1代表氧，硫，NR1（R1代表氢或烷基）或单键；Y1代表单键，亚烷基等；Y2代表单键，亚烷基等；Z代表亚烷基；且Q1和Q2中的至少一个代表—COOR10（其中R10代表（未）取代的烷基等），等的药学上可接受的盐。
• ADENINE COMPOUND AND USE THEREOF
  申请人：Dainippon Sumitomo Pharma Co., Ltd.

  公开号：EP1550662B1

  公开（公告）日：2012-07-04
• US7754728B2
  申请人：——

  公开号：US7754728B2

  公开（公告）日：2010-07-13