1-Phenyl-3,9-dihydro-purine-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-Phenyl-3,9-dihydro-purine-2,6-dione
• 英文别名: 1-phenyl-3,7-dihydropurine-2,6-dione
• 化学式: C₁₁H₈N₄O₂
• 分子量: 228.21
• InChiKey: OFQXVHPYWBHEMD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  78.1
• 氢给体数：
  2
• 氢受体数：
  3

文献信息

• 8-Phenyl-6, 9-dihydro-[1,2,4] triazolo[3,4-i]purin-5-one derivatives
  申请人：——

  公开号：US20030060627A1

  公开（公告）日：2003-03-27

  8-phenyl-6,9-dihydro-[1,2,4]triazolo[3,4-i]purin-5-one derivatives of formula (I): 1 wherein: R 1 , R 2 and R 3 each independently represent: hydrogen; an alkyl group which is unsubstituted or substituted by a hydroxy, alkoxy, alkylthio, amino, mono- or di-alkylamino, hydroxycarbonyl, alkoxycarbonyl, acylamino, carbamoyl or alkylcarbamoyl group; or a group of formula —(CH 2 ) n —R 6 wherein n is an integer from 0 to 4 and R 6 represents: a cycloalkyl group; a phenyl group which may be unsubstituted or substituted by one or more halogen atoms or alkyl, hydroxy, alkylenedioxy, alkoxy, amino, mono- or di-alkylamino, nitro, cyano or trifluoromethyl groups; or a 3 to 7-membered ring comprising from 1 to 4 heteroatoms selected from nitrogen, oxygen and sulphur, which ring may be unsubstituted or substituted by one or more halogen atoms or hydroxy, phenyl, alkoxycarbonyl, amino, mono- alkylamino, di-alkylamino or hydroxycarbonyl groups or one or more alkyl groups which may in turn be unsubstituted or substituted by one or more halogen atoms or hydroxy, alkoxy, hydroxyalkoxy, phenyl, alkoxycarbonyl, amino, mono- or di-alkylamino or hydroxycarbonyl groups; either R 4 and R 5 together with the nitrogen atom to which they are attached form a 3 to 7-membered ring comprising a total of from 1 to 4 heteroatoms selected from nitrogen, oxygen and sulphur, which ring may be unsubstituted or substituted by one or more halogen atoms or hydroxy, oxoalkyl, carbamoyl, hydroxycarbonyl, alkoxycarbonyl, trifluoroacetyl, amino, mono- or di-alkylamino groups or an alkylene group, or one or more alkyl, alkenyl or alkynyl groups which may in turn be unsubstituted or substituted by one or more halogen atoms or hydroxy, alkoxy, hydroxyalkoxy, amino or mono- or di-alkylamino groups, or R 4 and R 5 independently represent hydrogen, an amidino group or an alkyl, alkenyl or alkynyl group which may be unsubstituted or substituted by one or more halogen atoms or hydroxy, alkoxy, alkylthio, amino, mono- or di-alkylamino groups, or R 4 represents hydrogen or an alkyl group and R 5 represents a group of formula —(CH 2 ) n —R 7 wherein n is an integer from 0 to 4 and R 7 represents: a cycloalkyl group which may be unsubstituted or substituted by one or more halogen atoms or alkyl, hydroxy, alkylenedioxy, alkoxy, amino, mono- or di-alkylamino, alkylamido, nitro, cyano or trifluoromethyl groups; a phenyl group which may be unsubstituted or substituted by one or more halogen atoms or alkyl, hydroxy, alkylenedioxy, alkoxy, amino, mono- or di-alkylamino, nitro, cyano or trifluoromethyl groups; or a 3 to 7-membered ring comprising from 1 to 4 heteroatoms selected from nitrogen, oxygen and sulphur, which ring may be unsubstituted or substituted by one or more halogen atoms or hydroxy, alkoxy, phenyl, alkoxycarbonyl, amino, mono-alkylamino, di-alkylamino or hydroxycarbonyl groups or one or more alkyl groups which may be unsubstituted or substituted by one or more halogen atoms or hydroxy, alkoxy, hydroxyalkoxy, phenyl, alkoxycarbonyl, amino, mono- or di-alkylamino or hydroxycarbonyl groups; or a pharmaceutically acceptable salt thereof; processes for their preparation, pharmaceutical compositions containing them and their use as PDE 5 inhibitors.

  8-苯基-6,9-二氢-[1,2,4]三唑[3,4-i]嘧啶-5-酮衍生物的化学式（I）如下： 其中： R1、R2和R3各自独立表示：氢；未取代或取代的烷基基团，取代基可以是羟基、烷氧基、烷基硫基、氨基、单烷基或双烷基氨基、羟基羰基、烷氧羰基、酰胺基、氨基甲酰基或烷基甲酰基基团；或者化学式—(CH2)n—R6的基团，其中n是从0到4的整数，R6表示：环烷基基团；苯基基团，可以未取代或取代，取代基可以是一个或多个卤素原子或烷基、羟基、烷基二氧基、烷氧基、氨基、单烷基或双烷基氨基、硝基、氰基或三氟甲基基团；或者由1到4个异原子（氮、氧和硫）组成的3到7元环，该环可以未取代或取代，取代基可以是一个或多个卤素原子或羟基、苯基、烷氧羰基、氨基、单烷基氨基、双烷基氨基或羟基羰基基团或一个或多个烷基基团，该烷基基团可以未取代或取代，取代基可以是一个或多个卤素原子或羟基、烷氧基、羟基烷氧基、苯基、烷氧羰基、氨基、单烷基或双烷基氨基或羟基羰基基团； R4和R5可以与它们连接的氮原子一起形成一个由1到4个异原子（氮、氧和硫）组成的3到7元环，该环可以未取代或取代，取代基可以是一个或多个卤素原子或羟基、氧代烷基、氨基甲酰基、羟基羰基、烷氧羰基、三氟乙酰基、氨基、单烷基或双烷基氨基基团或一个烷基、烯基或炔基基团，该基团可以未取代或取代，取代基可以是一个或多个卤素原子或羟基、烷氧基、羟基烷氧基、氨基或单烷基或双烷基氨基基团，或者R4和R5各自独立表示氢、酰胺基团或未取代或取代的烷基、烯基或炔基基团，取代基可以是一个或多个卤素原子或羟基、烷氧基、烷基硫基、氨基、单烷基或双烷基氨基基团，或者R4表示氢或烷基基团，R5表示化学式—(CH2)n—R7的基团，其中n是从0到4的整数，R7表示：环烷基基团，可以未取代或取代，取代基可以是一个或多个卤素原子或烷基、羟基、烷基二氧基、烷氧基、氨基、单烷基或双烷基氨基、烷基酰胺基、硝基、氰基或三氟甲基基团；苯基基团，可以未取代或取代，取代基可以是一个或多个卤素原子或烷基、羟基、烷基二氧基、烷氧基、氨基、单烷基或双烷基氨基、硝基、氰基或三氟甲基基团；或者由1到4个异原子（氮、氧和硫）组成的3到7元环，该环可以未取代或取代，取代基可以是一个或多个卤素原子或羟基、烷氧基、苯基、烷氧羰基、氨基、单烷基氨基、双烷基氨基或羟基羰基基团或一个或多个烷基基团，该烷基基团可以未取代或取代，取代基可以是一个或多个卤素原子或羟基、烷氧基、羟基烷氧基、苯基、烷氧羰基、氨基、单烷基或双烷基氨基或羟基羰基基团； 或其药学上可接受的盐；它们的制备方法、含有它们的药物组合物以及它们作为PDE 5抑制剂的用途。
• Methods of treating periodontal disease
  申请人：——

  公开号：US20030032804A1

  公开（公告）日：2003-02-13

  The present invention relates to novel compounds of formula (I): processes for their preparation, pharmaceutical formulations containing them, and their use in medicine, particularly in the prophylaxis and treatment of inflammatory conditions, immune disorders, septic shock circulatory disorders, and gastrointestinal inflammation and disorders.

  本发明涉及公式（I）的新化合物，其制备方法，含有它们的药物配方，以及它们在医学中的应用，特别是在预防和治疗炎症症状、免疫紊乱、感染性休克循环障碍以及胃肠道炎症和疾病方面的应用。
• [EN] PROCESS FOR PREPARING NONAETHYLENE GLYCOL MONOMETHYL ETHER<br/>[FR] PROCEDE DE PREPARATION DE NONAETHYLENE GLYCOL MONOMETHYL ETHER
  申请人：SMITHKLINE BEECHAM CORP

  公开号：WO2005102976A1

  公开（公告）日：2005-11-03

  The present invention provides a process for preparing nonethylene glycol monomethyl ether.

  本发明提供了一种制备非乙二醇甲基醚的方法。
• [EN] N<6>-SUBSTITUTED-ADENOSINE-5'-URONAMIDES AS ADENOSINE RECEPTOR MODULATORS<br/>[FR] N<6>-SUBSTITUES-ADENOSINE-5'-URONAMIDES UTILES COMME MODULATEURS DE RECEPTEURS D'ADENOSINE
  申请人：MEDCO RESEARCH, INC.

  公开号：WO1999006053A1

  公开（公告）日：1999-02-11

  (EN) A series of adenosine-5'-uronamide derivatives bearing N6-arylurea, alkarylurea, heteroarylurea, arylcarbonyl, alkarylcarbonyl or heteroarylcarbonyl groups which have affinity and, in some cases, selectivity for the adenosine A1 or A3 receptors are disclosed. These compounds can be used in a pharmaceutical composition to treat disorders caused by excessive activation of the A1 or A3 receptors, or can be used in a diagnostic application to determine the relative binding of other compounds to the A1 or A3 receptors.(FR) L'invention concerne une série de dérivés d'adénosine-5'-uronamides portant des groupes N6-arylurée, alcarylurée, hétéroarylurée, arylcarbonyle, alcarylcarbonyle ou hétéroarylcarbonyle qui possèdent une affinité, et, dans certains cas, une sélectivité pour les récepteurs A1 ou A3 d'adénosine. Ces composés peuvent être utilisés dans une composition pharmaceutique pour traiter des troubles provoqués par une activation excessive des récepteurs A1 ou A3, ou dans une application diagnostique pour déterminer la fixation d'autres composés aux récepteurs A1 ou A3.

  一系列带有N6-芳基脲、烷基芳基脲、杂环芳基脲、芳基羰基、烷基芳基羰基或杂环芳基羰基基团的腺苷-5'-酰脲衍生物被揭示，这些衍生物具有亲和力和在某些情况下对腺苷A1或A3受体的选择性。这些化合物可以用于制备药物组合物，用于治疗由A1或A3受体过度激活引起的疾病，或用于诊断应用，以确定其他化合物与A1或A3受体的相对结合。
• Substituted (1,3-bis(cyclohexylmethyl)-1,2,3,6-tetrahydro-2,6-dioxo-9h-purin-8-YI)phenyl derivatives, their preparation and their use in the treatment of inflammatory conditions and immune disorders
  申请人：——

  公开号：US20030181471A1

  公开（公告）日：2003-09-25

  1. A compound of formula (I) 1 or a solvate thereof wherein: X is —O— or —NH—; Q is (—CH 2 —) p , (—CH═CH—) p , (—C≡C—) p where p is an integer of from 0 to 4; R 1 is hydrogen or methyl; R 2 and R 3 independently represent O or S n is an integer of 1 to 50; and R is hydrogen or methyl.

  化合物式（I）的复合物或其溶剂化物，其中：X为—O—或—NH—;Q为（—CH2—）p，（—CH═CH—）p，（—C≡C—）p，其中p为0至4的整数；R1为氢或甲基；R2和R3独立地表示O或Sn为1至50的整数；而R为氢或甲基。