1,3-Diethyl-8-[2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]-7-methylpurine-2,6-dione

• 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: 1,3-Diethyl-8-[2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]-7-methylpurine-2,6-dione
• 化学式: C₂₀H₂₂N₄O₅
• 分子量: 398.4
• InChiKey: SIWPOSYYZOQAMH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  29
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  86.1
• 氢给体数：
  0
• 氢受体数：
  6

文献信息

• Therapeutic agents for parkinson's disease
  申请人：KYOWA HAKKO KOGYO CO., LTD.

  公开号：EP0590919A1

  公开（公告）日：1994-04-06

  Disclosed as therapeutic agents for Parkinson's disease are xanthine derivatives of the formula (I): in which:    R¹ and R² each represent methyl or ethyl;    R³ represents hydrogen, C₁-C₆ straight or branched chain alkyl or C₂-C₆ straight or branched chain alkenyl or alkynyl;    R⁴ represents C₃-C₈ cycloalkyl; a -(CH₂)n-R⁵ group where n is 0 or an integer of from 1 to 4, and R⁵ represents phenyl, naphthyl or a heterocyclic group or a substituted phenyl, naphthyl or heterocyclic group containing from 1-4 substituents selected from C₁-C₆ alkyl, C₁-C₆ alkoxy, hydroxy, halogen, nitro, amino, mono- or di-(C₁-C₆) alkylamino, trifluoromethyl, benzyloxy, phenyl, phenoxy or C₁-C₆ alkoxy substituted by hydroxy, C₁-C₆ alkoxy, halogen, amino, azide, carboxy or (C₁-C₆ alkoxy)carbonyl;    or a    group where Y¹ and Y² each represent hydrogen, halogen, or C₁-C₆ straight or branched chain alkyl; and Z represents a    group in which R⁶ represents hydrogen, hydroxy, C₁-C₆ straight or branched chain alkyl, C₁-C₆ straight or branched chain alkoxy, halogen, nitro, or amino, and m represents an integer of from 1 to 4; a phenyl, naphthyl or heterocyclic group or a substituted phenyl, naphthyl or heterocyclic group as defined under R⁵;    and X¹ and X² each represent O or S; or a pharmaceutically acceptable salt thereof.

  作为帕金森病治疗剂公开的是式 (I) 的黄嘌呤衍生物： 其中 R¹ 和 R² 各自代表甲基或乙基； R³ 代表氢、C₁-C₆ 直链或支链烷基或 C₂-C₆ 直链或支链烯基或炔基； R⁴ 代表 C₃-C₈ 环烷基；一个-(CH₂)n-R⁵基团，其中 n 为 0 或 1 至 4 的整数，且 R⁵ 代表苯基、萘基或杂环基，或代表含有 1-4 个选自 C₁-C₆ 烷基的取代基的取代苯基、萘基或杂环基、C₁-C₆烷氧基、羟基、卤素、硝基、氨基、单或双（C₁-C₆）烷基氨基、三氟甲基、苄氧基、苯基、苯氧基或 C₁-C₆烷氧基、苯氧基或被羟基、C₁-C₆ 烷氧基、卤素、氨基、叠氮化物、羧基或 (C₁-C₆ 烷氧基)羰基取代的 C₁-C₆ 烷氧基； 或 其中 Y¹ 和 Y² 分别代表氢、卤素或 C₁-C₆直链或支链烷基的基团；以及 Z 代表一个基团。 其中 R⁶ 代表氢、羟基、C₁-C₆ 直链或支链烷基、C₁-C₆ 直链或支链烷氧基、卤素、硝基或氨基，且 m 代表 1 至 4 的整数的基团；R⁵ 中定义的苯基、萘基或杂环基团或取代的苯基、萘基或杂环基团； 且 X¹ 和 X² 各自代表 O 或 S； 或其药学上可接受的盐。
• ANTIDEPRESSANT
  申请人：KYOWA HAKKO KOGYO CO., LTD.

  公开号：EP0628311A1

  公开（公告）日：1994-12-14

  An antidepressant containing an active ingredient comprising a xanthine derivative represented by general formule (I) or a pharmacologically acceptable salt thereof, wherein R¹, R² and R³ may be the same or different from one another and each represents hydrogen, lower alkyl, alkyl or propargyl; R⁴ represents cycloalkyl, -(CH₂)n-R⁵ (wherein R⁵ represents optionally substituted aryl or optionally substituted heterocyclic group, and n represents an integer of 0 to 4) of group (A) wherein Y¹ and Y² may be the same or different from each other and each represents hydrogen, fluorine or methyl, and Z represents optionally substituted aryl, group (B) (wherein R⁶ represents hydrogen, hydroxy, lower alkyl, lower alkoxy, halogen, nitro or amino, and m represents an integer of 1 to 3), or optionally substituted heterocyclic group; and X¹ and X² may be the same or different from each other and each represents O or S.

  一种含有活性成分的抗抑郁剂，其活性成分包含通式(I)所代表的黄嘌呤衍生物或其药理上可接受的盐，其中 R¹、R² 和 R³ 可以相同或彼此不同，且各自代表氢、低级烷基、烷基或丙炔基；R⁴ 代表(A)基团的环烷基、-(CH₂)n-R⁵（其中 R⁵ 代表任选取代的芳基或任选取代的杂环基团，且 n 代表 0 至 4 的整数），其中 Y¹ 和 Y² 可以相同或不同，且各自代表氢、氟或甲基，Z 代表任选取代的芳基、基团 (B)（其中 R⁶ 代表氢、羟基、低级烷基、低级烷氧基、卤素、硝基或氨基，m 代表 1 至 3 的整数）或任选取代的杂环基团；X¹ 和 X² 可以相同或不同，各自代表 O 或 S。
• XANTHINE DERIVATIVE
  申请人：KYOWA HAKKO KOGYO KABUSHIKI KAISHA

  公开号：EP0698607A1

  公开（公告）日：1996-02-28

  A xanthine derivative represented by general formula (I) or a pharmacologically acceptable salt thereof, wherein R¹, R² and R³ are the same or different from one another and each represents hydrogen, lower alkyl, lower alkenyl or lower alkynyl; R⁴ represents lower alkyl or (un)substituted aryl; R⁵ and R⁶ are the same or different from each other and each represents hydrogen, lower alkyl or lower alkoxy, or R⁵ and R⁶ are combined together to represent -O-(CH₂)p-O- (wherein p represents an integer of 1 to 3); n represents 0, 1 or 2; and m represents 1 or 2. The compound has an adenosine A₂ receptor antagonism and is useful for treating or preventing various diseases caused by the hyperfunctioning of adenosine A₂ receptors, such as Parkinson's disease, senile dementia, depression, asthma or osteoporosis.

  通式(I)代表的黄嘌呤衍生物或其药理学上可接受的盐，其中 R¹、R² 和 R³ 彼此相同或不同，各自代表氢、低级烷基、低级烯基或低级炔基；R⁴ 代表低级烷基或(未)取代的芳基；R⁵ 和 R⁶ 彼此相同或不同，且各自代表氢、低级烷基或低级烷氧基，或 R⁵ 和 R⁶ 结合在一起代表 -O-(CH₂)p-O-（其中 p 代表 1 至 3 的整数）；n 代表 0、1 或 2；以及 m 代表 1 或 2。该化合物具有腺苷 A₂受体拮抗作用，可用于治疗或预防由腺苷 A₂受体功能亢进引起的各种疾病，如帕金森病、老年痴呆症、抑郁症、哮喘或骨质疏松症。
• ANTIEPILEPTIC AGENT
  申请人：KYOWA HAKKO KOGYO CO., LTD.

  公开号：EP1640007A1

  公开（公告）日：2006-03-29

  (wherein R1, R2 and R3 are the same or different and each represents a hydrogen atom, lower alkyl, lower alkenyl or lower alkynyl; R4 represents cycloalkyl,-(CH2)n-R5 or the above formula (II); and X1 and X2 are the same or different and each represents an oxygen atom or a sulfur atom) An antiepil eptic agent comprising the xanthine derivative represented by the above formula (I) or a pharmaceutically acceptable salt thereof as an active ingredient is provided.

  (其中 R1、R2 和 R3 相同或不同，各自代表氢原子、低级烷基、低级烯基或低级炔基；R4 代表环烷基、-(CH2)n-R5 或上式(II)；X1 和 X2 相同或不同，各自代表氧原子或硫原子）。 本发明提供了一种由上式（I）代表的黄嘌呤衍生物或其药学上可接受的盐作为活性成分的抗癫痫剂。
• Xanthine derivatives for treating neurodegenerative disorders
  申请人：KYOWA HAKKO KOGYO CO., LTD.

  公开号：EP1666041A2

  公开（公告）日：2006-06-07

  The present invention relates to a therapeutic agent for neurodegenerative disorders, comprising a xanthine derivative represented by formula (I): or a pharmaceutically acceptable salt thereof as an active ingredient.

  本发明涉及一种治疗神经退行性疾病的药物，由式（I）代表的黄嘌呤衍生物组成： 或其药学上可接受的盐作为活性成分。