2-Butoxy-9-(6-chloro-3-pyridylmethyl)-8-methoxyadenine | 473930-54-0

• 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: 2-Butoxy-9-(6-chloro-3-pyridylmethyl)-8-methoxyadenine
• 英文别名: 2-Butoxy-9-(6-chloro-pyridin-3-ylmethyl)-8-methoxyadenine；2-butoxy-8-methoxy-9-(6-chloropyridin-3-ylmethyl)adenine；2-butoxy-9-[(6-chloropyridin-3-yl)methyl]-8-methoxypurin-6-amine
• CAS: 473930-54-0
• 化学式: C₁₆H₁₉ClN₆O₂
• 分子量: 362.819
• InChiKey: QKFITCCMIITKPI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  25
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  101
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  2-Butoxy-9-(6-chloro-3-pyridylmethyl)-8-methoxyadenine 在 盐酸 作用下， 以 水 为溶剂， 反应 2.0h， 以99%的产率得到6-amino-2-butoxy-9-((6-chloropyridin-3-yl)methyl)-7H-purin-8(9H)-one
  参考文献：
  名称：

  NOVEL ADENINE DERIVATIVES

  摘要：

  公开号：

  EP1386923B1
• 作为产物：
  描述：

  2-butoxy-9-(tetrahydro-2H-pyran-2-yl)-9H-purin-6-amine 在 N-溴代丁二酰亚胺(NBS) 、 caesium carbonate 、 三氟乙酸 作用下， 以 甲醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 180.0h， 生成 2-Butoxy-9-(6-chloro-3-pyridylmethyl)-8-methoxyadenine
  参考文献：
  名称：

  [EN] IMMUNOMODULATOR PURINE-DERIVED COMPOUNDS, CONJUGATES THEREOF, AND METHODS OF USE THEREOF
  [FR] COMPOSÉS DÉRIVÉS DE PURINE IMMUNOMODULATEURS, LEURS CONJUGUÉS ET LEURS PROCÉDÉS D'UTILISATION

  摘要：

  Disclosed are purine-derived compounds of general Formula (I), wherein X is O or NH; Y is CH or N; R1is an optionally substituted alkyl; n is 1 to 4; m is 0 to 4, R2is H, halogen, alkyl or alkoxy; each of R3and R1is H, OH, NR6R7, optionally substituted alkyl, alkenyl, cycloalkyl, heterocycloalkyl, aryl or heteroaryl; or R3, R4and N together may form a ring. Also disclosed are immunostimulatory antibody conjugates (ISACs) comprising such compounds, as well as methods for producing and using such compounds, e.g., for the treatment of diseases such as cancer.

  公开号：

  WO2024020684A1

文献信息

• Novel adenne derivatives
  申请人：——

  公开号：US20040132748A1

  公开（公告）日：2004-07-08

  This invention relates to an adenine derivative, a tautomer thereof, or a pharmaceutically acceptable salt thereof represented by general formula (I): 1 wherein X represents NR 3 (wherein R 3 represents a hydrogen atom or C 1-3 alkyl) or the like; R 1 represents substituted or unsubstituted alkyl or the like; R 2 represents hydroxyl or the like; and Y represents a substituted or unsubstituted aromatic hetero ring or the like. Also, the present invention relates to pharmaceuticals such as an interferon inducer, antiviral agent, anticancer agent, type 2 helper T cell selective immune response inhibitor, antiallergic agent, and immune response modulator comprising the above derivative as an active ingredient.

  本发明涉及一种由通式（I）表示的腺嘌呤衍生物、其互变异构体或其药学上可接受的盐，其中X代表NR3（其中R3代表氢原子或C1-3烷基）或类似物；R1代表取代或未取代的烷基或类似物；R2代表羟基或类似物；Y代表取代或未取代的芳香杂环或类似物。此外，本发明还涉及将上述衍生物作为活性成分的药物，例如干扰素诱导剂、抗病毒剂、抗癌剂、2型辅助T细胞选择性免疫反应抑制剂、抗过敏剂和免疫反应调节剂。
• 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 derivatives
  申请人：Isobe Yoshiaki

  公开号：US20070037832A1

  公开（公告）日：2007-02-15

  This invention relates to an adenine derivative, a tautomer thereof, or a pharmaceutically acceptable salt thereof represented by general formula (I): wherein X represents NR 3 (wherein R 3 represents a hydrogen atom or C 1-3 alkyl) or the like; R 1 represents substituted or unsubstituted alkyl or the like; R 2 represents hydroxyl or the like; and Y represents a substituted or unsubstituted aromatic hetero ring or the like. Also, the present invention relates to pharmaceuticals such as an interferon inducer, antiviral agent, anticancer agent, type 2 helper T cell selective immune response inhibitor, antiallergic agent, and immune response modulator comprising the above derivative as an active ingredient.

  本发明涉及一种腺嘌呤衍生物，其互变异构体或药学上可接受的盐，由下式表示：其中X代表NR3（其中R3代表氢原子或C1-3烷基）或类似物；R1代表取代或未取代的烷基或类似物；R2代表羟基或类似物；Y代表取代或未取代的芳香杂环或类似物。此外，本发明涉及上述衍生物作为活性成分的制备干扰素诱导剂、抗病毒剂、抗癌剂、选择性抑制2型辅助T细胞免疫反应抑制剂、抗过敏剂和免疫反应调节剂等药物。
• Novel Adenine Compound
  申请人：Hashimoto Kazuki

  公开号：US20090118263A1

  公开（公告）日：2009-05-07

  An adenine compound represented by the formula (1): (1) [wherein A 1 and A 2 each independently represents an (un)substituted aromatic carbocycle or (un)substituted aromatic heterocycle; L 1 , L 2 , and L 3 each independently represents alkylene or a single bond, provided that any methylene or methine group in L 2 or L 3 may be bonded to the nitrogen atom adjacent to L 2 and L 3 to form a 4- to 7-membered saturated nitrogenous heterocycle; L 4 represents alkylene or a single bond; 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.; and X represents oxygen, etc.] or a pharmaceutically acceptable salt of the compound. The compound and salt are useful as a medicine.

  一种腺嘌呤化合物，由式（1）表示：（1）[其中A1和A2分别独立地表示（非）取代芳香族碳环或（非）取代芳香族杂环；L1、L2和L3分别独立地表示烷基或单键，但L2或L3中的任何亚甲基或亚胺基可能与L2和L3相邻的氮原子结合形成4-至7元饱和的氮杂环；L4表示烷基或单键；R1表示（非）取代烷基、（非）取代芳基等；R2表示氢或（非）取代烷基；R3表示（非）取代烷基等；X表示氧等]或该化合物的药物可接受的盐。该化合物和盐可用作药物。
• Adenine compound and use thereof
  申请人：Dainippon Sumitomo Pharma Co., Ltd.

  公开号：US07754728B2

  公开（公告）日：2010-07-13

  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.; X1 represents oxygen, sulfur, NR1 (R1 represents hydrogen or alkyl), or a single bond; Y1 represents a single bond, alkylene, etc.; Y2 represents a single bond, alkylene, etc.; Z represents alkylene; and at least one of Q1 and Q2 represents —COOR10 (wherein R10 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。该药物适用于局部给药，其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至10个成员的单环或双环芳香烃或5至10个成员的单环或双环芳香杂环，其中包含1至3个杂原子，所选为0至2个氮原子，0或1个氧原子和0或1个硫原子；n为0至2的整数；m为0至2的整数；R表示卤代，（未）取代的烷基等；X1表示氧、硫、NR1（其中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]或该化合物的药学上可接受的盐。