9-benzyl-8-hydroxy-2-(2-carboxylethyl)thioadenine | 226907-17-1

• 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: 9-benzyl-8-hydroxy-2-(2-carboxylethyl)thioadenine
• 英文别名: 3-[(6-amino-9-benzyl-8-oxo-7H-purin-2-yl)sulfanyl]propanoic acid
• CAS: 226907-17-1
• 化学式: C₁₅H₁₅N₅O₃S
• 分子量: 345.382
• InChiKey: FKRLMPNWOWCRBW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  24
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  147
• 氢给体数：
  3
• 氢受体数：
  7

文献信息

• PREPARATION OF CONJUGATES COMPRISING ADENINE DERIVATIVES AND ALLERGENIC PROTEINS AND THEIR USE FOR SPECIFIC IMMUNOTHERAPY OF ALLENGENIC DISEASES
  申请人：Romagnani Sergio

  公开号：US20130136764A1

  公开（公告）日：2013-05-30

  The present invention refers to the preparation of adenine derivative active esters of formula (I) and use thereof for the preparation of stable conjugates between adenine derivative and allergenic proteins having general structure (II) for the modulation of T H 2 response in allergic diseases.(I, II).

  本发明涉及制备式（I）的腺嘌呤衍生物活性酯和其用于制备式（II）的变应原蛋白稳定共轭物，用于调节过敏性疾病中的TH2反应。（I，II）
• 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
• US8148371B2
  申请人：——

  公开号：US8148371B2

  公开（公告）日：2012-04-03