2-butoxy-8-oxo-9-[2-(3-methoxycarbonylphenoxy)ethyl]adenine | 866267-50-7

• 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-8-oxo-9-[2-(3-methoxycarbonylphenoxy)ethyl]adenine
• 英文别名: methyl 3-[2-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)ethoxy]benzoate
• CAS: 866267-50-7
• 化学式: C₁₉H₂₃N₅O₅
• 分子量: 401.422
• InChiKey: SORUFNFXGAHELF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  29
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  129
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  2-butoxy-8-oxo-9-[2-(3-methoxycarbonylphenoxy)ethyl]adenine 在 甲醇 、 sodium hydroxide 、 水 、 溶剂黄146 作用下， 反应 6.0h， 以31%的产率得到[3-({[2-(6-Amino-2-butoxy-8-oxo-7,8-dihydro-9H-purin-9-yl)ethyl]amino}methyl)phenyl]acetic acid
  参考文献：
  名称：

  9-SUBSTITUTED 8-OXOADENINE COMPOUND

  摘要：

  公开号：

  EP1728793B1
• 作为产物：
  描述：

  甲醇 、 2-butoxy-8-oxo-9-[2-(3-hydroxycarbonylphenoxy)ethyl]adenine 在 硫酸 、 水 、 碳酸氢钠 作用下， 反应 2.5h， 生成 2-butoxy-8-oxo-9-[2-(3-methoxycarbonylphenoxy)ethyl]adenine
  参考文献：
  名称：

  9-SUBSTITUTED 8-OXOADENINE COMPOUND

  摘要：

  公开号：

  EP1728793B1

文献信息

• 9-Substituted 8-oxoadenine compound
  申请人：Kurimoto Ayumu

  公开号：US20070190071A1

  公开（公告）日：2007-08-16

  The present invention provides an 8-oxoadenine compound having immunemodulating activities such as an interferon inducing activity and useful as an antiviral agent and antiallergic agent, which is represented by the following formula (1): [wherein the ring A represents a 6-10 membered aromatic carbocyclic ring and the like, R represents a halogen atom, an alkyl group and the like, n represents an integer of 0-2, Z 1 represents alkylene, X 2 represents oxygen atom, sulfur atom, SO 2 , NR 5 , CO, CONR 5 , NR 5 CO and the like, Y 1 , Y 2 and Y 3 represent independently a single bond or an alkylene group, X 1 represents oxygen atom, sulfur atom, NR 4 (R 4 is hydrogen atom or an alkyl group) or a single bond, R 2 represents a substituted or unsubstituted alkyl group, R 1 represents hydrogen atom, hydroxy group, an alkoxy group, an alkoxycarbonyl group or a haloalkyl group] or its pharmaceutically acceptable salt.

  本发明提供了一种具有免疫调节活性的8-氧腺嘌呤化合物，例如干扰素诱导活性，并且可用作抗病毒剂和抗过敏剂，其化学式如下（1）所示：[其中，环A代表6-10个成员的芳香环烷基环等，R代表卤素原子，烷基等，n代表0-2的整数，Z1代表烷基，X2代表氧原子，硫原子，SO2，NR5，CO，CONR5，NR5CO等，Y1，Y2和Y3独立地代表单键或烷基，X1代表氧原子，硫原子，NR4（R4为氢原子或烷基）或单键，R2代表取代或未取代的烷基，R1代表氢原子，羟基，烷氧基，烷氧羰基或卤代烷基]或其药学上可接受的盐。
• 9-substituted 8-oxoadenine compound
  申请人：Dainippon Sumitomo Pharma Co., Ltd.

  公开号：US08012964B2

  公开（公告）日：2011-09-06

  The present invention provides an 8-oxoadenine compound having immunemodulating activities such as an interferon inducing activity and useful as an antiviral agent and antiallergic agent, which is represented by the following formula (1): [wherein the ring A represents a 6-10 membered aromatic carbocyclic ring and the like, R represents a halogen atom, an alkyl group and the like, n represents an integer of 0-2, Z1 represents alkylene, X2 represents oxygen atom, sulfur atom, SO2, NR5, CO, CONR5, NR5CO and the like, Y1, Y2 and Y3 represent independently a single bond or an alkylene group, X1 represents oxygen atom, sulfur atom, NR4 (R4 is hydrogen atom or an alkyl group) or a single bond, R2 represents a substituted or unsubstituted alkyl group, R1 represents hydrogen atom, hydroxy group, an alkoxy group, an alkoxycarbonyl group or a haloalkyl group] or its pharmaceutically acceptable salt.

  本发明提供了一种具有免疫调节活性的8-氧腺嘌呤化合物，例如具有干扰素诱导活性，可用作抗病毒剂和抗过敏剂，其化学式如下所示（1）：[其中环A代表6-10成员的芳香环烃环等，R代表卤素原子，烷基等，n代表0-2的整数，Z1代表烷基，X2代表氧原子，硫原子，SO2，NR5，CO，CONR5，NR5CO等，Y1，Y2和Y3分别代表单键或烷基，X1代表氧原子，硫原子，NR4（R4为氢原子或烷基）或单键，R2代表取代或未取代的烷基，R1代表氢原子，羟基，烷氧基，烷氧羰基或卤代烷基]或其药学上可接受的盐。
• 9-Substituted 8-Oxoadenine Compound
  申请人：Kurimoto Ayumu

  公开号：US20140045837A1

  公开（公告）日：2014-02-13

  The present invention provides an 8-oxoadenine compound having immunomodulating activities such as an interferon inducing activity and useful as an antiviral agent and antiallergic agent, which is represented by the following formula (1): [wherein the ring A represents a 6-10 membered aromatic carbocyclic ring and the like, R represents a halogen atom, an alkyl group and the like, n represents an integer of 0-2, Z 1 represents alkylene, X 2 represents oxygen atom, sulfur atom, SO 2 , NR 5 , CO, CONR 5 , NR 5 CO and the like, Y 1 , Y 2 and Y 3 represent independently a single bond or an alkylene group, X 1 represents oxygen atom, sulfur atom, NR 4 (R 4 is hydrogen atom or an alkyl group) or a single bond, R 2 represents a substituted or unsubstituted alkyl group, R 1 represents hydrogen atom, hydroxy group, an alkoxy group, an alkoxycarbonyl group or a haloalkyl group] or its pharmaceutically acceptable salt.

  本发明提供了一种具有免疫调节活性的8-氧腺嘌呤化合物，例如干扰素诱导活性，并可用作抗病毒剂和抗过敏剂，其化学式表示为（1）：[其中环A代表6-10个成员的芳香环烃环等，R代表卤素原子，烷基等，n代表0-2的整数，Z1代表烷基，X2代表氧原子，硫原子，SO2，NR5，CO，CONR5，NR5CO等，Y1，Y2和Y3分别代表单键或烷基，X1代表氧原子，硫原子，NR4（R4为氢原子或烷基）或单键，R2代表取代或未取代的烷基，R1代表氢原子，羟基，烷氧基，烷氧羰基或卤代烷基]或其药学上可接受的盐。
• Combinations of HCV protease inhibitor(s) and CYP3A4 inhibitor(s), and methods of treatment related thereto
  申请人：Ralston O. Robert

  公开号：US20070287664A1

  公开（公告）日：2007-12-13

  Disclosed are medicaments, pharmaceutical compositions, pharmaceutical kits, and methods based on combinations comprising, separately or together: (a) a CYP3A4 inhibitor; and (b) a HCV protease inhibitor; for concurrent or consecutive administration in treating a human subject infected with HCV.
• Modulation of NKT Cell Activity with Antigen-Loaded CD1d Molecules
  申请人：DONDA Alena

  公开号：US20080254045A1

  公开（公告）日：2008-10-16

  The invention is directed to methods of modulating an immune response in an animal, comprising administering a composition comprising one or more soluble CD1d complexes, in particular non-specific soluble CD1d complexes. Soluble CD1d complexes comprise a soluble CD1d polypeptide, a β2-microglobulin polypeptide, and a ceramide-like glycolipid antigen bound to the CD1d antigen binding groove, and in certain embodiments, an immunogen. The administration of compositions of the present invention affects the activity of CD1d-restricted NKT cells, and in particular, allows for multiple administrations without causing CD1d-restricted NKT cell anergy.