2-nitroamino-5-(4-pyridylmethyl-N-oxide)pyrimidin-4-one | 86181-58-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 2-nitroamino-5-(4-pyridylmethyl-N-oxide)pyrimidin-4-one
• 英文别名: 2-nitroamino-5-(1-oxopyrid-4-ylmethyl)-4(1H)-pyrimidone；2-nitroamino-5-(N-oxo-pyrid-4-ylmethyl)pyrimid-4-one；2-nitroamino-5-(N-oxopyrid-4-ylmethyl)-4-pyrimidone；N-[5-[(1-oxidopyridin-1-ium-4-yl)methyl]-6-oxo-1H-pyrimidin-2-yl]nitramide
• CAS: 86181-58-0
• 化学式: C₁₀H₉N₅O₄
• 分子量: 263.213
• InChiKey: CKOKWDWKXKTBBB-UHFFFAOYSA-N

物化性质

• 熔点：
  256-258 °C
• 密度：
  1.62±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.9
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  125
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-nitroamino-5-(4-pyridylmethyl-N-oxide)pyrimidin-4-one 生成 2-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethylamino]-5-[(1-oxidopyridin-1-ium-4-yl)methyl]-1H-pyrimidin-6-one
  参考文献：
  名称：

  BROWN, T. H.;ARMITAGE, M. A.;BLAKEMORE, R. C.;BLURTON, P.;DURANT, G. J.;G+, EUR. J. MED. CHEM., 25,(1990) N, C. 217-226

  摘要：

  DOI：
• 作为产物：
  描述：

  2-nitroamino-5-(pyridin-4-yl)methyl-4-pyrimidone 在 间氯过氧苯甲酸 作用下， 以 溶剂黄146 为溶剂， 以90%的产率得到2-nitroamino-5-(4-pyridylmethyl-N-oxide)pyrimidin-4-one
  参考文献：
  名称：

  Dérivés de l'isocytosine antagonistes des récepteurs H2 de l'histamine. III. Synthèse et activité biologique de la lupitidine (SK&F 93479) et de composés apparentés

  摘要：

  DOI：

  10.1016/0223-5234(90)90204-g

文献信息

• Tetrahydroquinolinylalkyl amino pyridones and ring homologues thereof,
  申请人：Smith Kline & French Laboratories Ltd.

  公开号：US04727076A1

  公开（公告）日：1988-02-23

  The invention provides tetrahydroquinolinylalkylamino pyrimidones, and ring homologues thereof, of the general formula (1): ##STR1## wherein R.sup.1 is hydrogen or an alkyl, alkoxy, halogen or amino-substituent, m and n are each 2, 3 or 4 and R.sup.2 is hydrogen, alkyl or variously substituted benzyl. The compounds are useful as histamine-H.sub.1 -receptor antagonists.

  这项发明提供了一种通式（1）的四氢喹啉基烷基氨基嘧啶酮及其环戊化物，其中R.sup.1为氢或烷基、烷氧基、卤素或氨基取代基，m和n分别为2、3或4，R.sup.2为氢、烷基或不同取代的苄基。这些化合物可用作组胺-H.sub.1-受体拮抗剂。
• 2-Pyridylaminoakylamino-4-pyrimidones useful as histamine H.sub.1
  申请人：Smith Kline & French Laboratories Limited

  公开号：US04547506A1

  公开（公告）日：1985-10-15

  Pyridine derivatives are disclosed which are useful as histamine H.sub.1 -antagonists.

  已披露了作为组胺H.sub.1-拮抗剂有用的吡啶衍生物。
• 2-(3-amino-5-halo-2-pyridylalkylamino)-pyrimidones useful as histamine
  申请人：Smith Kline & French Laboratories Limited

  公开号：US04665078A1

  公开（公告）日：1987-05-12

  The invention describes 5-halo-3-amino-2-pyridyl derivatives which are useful as histamine H.sub.1 -antagonists. Particular compounds described are 2-[4-(5-bromo-3-aminopyrid-2-yl)butylamino]-5-(6-methylpyrid-3-ylmethyl)-4 -pyrimidone and 2-[4-(5-bromo-3-aminopyrid-2-yl)butylamino]-5-(N-oxopyrid-4-ylmethyl)-4-py rimidone.

  该发明描述了作为组胺H.sub.1-拮抗剂有用的5-卤代-3-氨基-2-吡啶基衍生物。描述的特定化合物包括2-[4-(5-溴-3-氨基吡啶-2-基)丁基氨基]-5-(6-甲基吡啶-3-基甲基)-4-嘧啶酮和2-[4-(5-溴-3-氨基吡啶-2-基)丁基氨基]-5-(N-氧代吡啶-4-基甲基)-4-嘧啶酮。
• Pyridine derivatives
  申请人：SMITH KLINE & FRENCH LABORATORIES LIMITED

  公开号：EP0113572A2

  公开（公告）日：1984-07-18

  The present invention provides compounds of formula (1): and pharmaceutically acceptable salts thereof where R1 and R2 are the same or different and are hydrogen, C1-6 alkyl, C1-6 alkoxy, or halogen; R3 is C,.e alkyl, C3.8 cycloalkyl C1-6 alkyl, optionally substituted phenyl or optionally substituted phenyl C1-6 alkyl, where the optional substituents are one or more C1-6 alkyl, C1-6 alkoxy, halogen, or hydroxy groups; or is optionally substituted pyridyl or optionally substituted pyridyl C1-6 alkyl where the optional substituents are one or more C1-6 alkyl or C1-6 alkoxy groups or halogen atoms; a is from 2 to 4 b is from 1 to 6 R4 is hydrogen, optionally substituted phenyl where the optional substituents are one or more C1-6 alkyl, C1-6 alkoxy, nitro or hydroxy groups or halogen atoms, or a methylenedioxy group, or is an optionally substituted pyridyl group where the optional substituents are one or more C1-6 alkyl, C1-6 alkoxy groups or halogen atoms; or is a C3-8 cycloalkyl group; or is N-oxo-3-pyridyl; N-oxo-6-methyl-3-pyridyl; 6-hydroxymethyl-3-pyridyl; N-oxo-4,6-dimethyl-3-pyridyl; 6-hydroxymethyl-4-methyl-3-pyridyl; N-oxo-5,6-dimethyl-3-pyridyl; 6-hydroxymethyl-5-methyl-3-pyridyl; or N-oxo-4-pyridyl, or is a pyridone group in which the nitrogen atom is optionally substituted with C1-6 alkyl. The compounds of this invention are useful as histamine H,-antagonists.

  本发明提供了式(1)化合物： 及其药学上可接受的盐类，其中 R1 和 R2 相同或不同，并且是氢、C1-6 烷基、C1-6 烷氧基或卤素； R3 是 C,.e烷基、C3.8 环烷基 C1-6烷基、任选取代的苯基或任选取代的苯基 C1-6烷基，其中任选取代基是一个或多个 C1-6烷基、C1-6烷氧基、卤素或羟基；或者是任选取代的吡啶基或任选取代的吡啶基 C1-6烷基，其中任选取代基是一个或多个 C1-6烷基或 C1-6烷氧基或卤素原子； a 是 2 至 4 b 是 1 至 6 R4是氢、任选取代的苯基（其中任选取代基是一个或多个C1-6烷基、C1-6烷氧基、硝基或羟基或卤素原子）或亚甲基二氧基、 或任选取代基为一个或多个 C1-6 烷基、C1-6 烷氧基或卤素原子的吡啶基； 或 C3-8 环烷基；或 N-氧代-3-吡啶基；N-氧代-6-甲基-3-吡啶基； 6-羟甲基-3-吡啶基；N-氧代-4,6-二甲基-3-吡啶基；6-羟甲基-4-甲基-3-吡啶基；N-氧代-5,6-二甲基-3-吡啶基；6-羟甲基-5-甲基-3-吡啶基；或 N-氧代-4-吡啶基，或氮原子被 C1-6 烷基任选取代的吡啶酮基团。本发明的化合物可用作组胺 H拮抗剂。
• Pyrimidone derivatives
  申请人：SMITH KLINE & FRENCH LABORATORIES LIMITED

  公开号：EP0134091A1

  公开（公告）日：1985-03-13

  The present invention provides compounds of formula (2): and their pharmaceutically acceptable salts which are useful as histamine H,-antagonists. In formula (2) Hal is a halogen atom; R5 is an amino group or an pharmaceutically acceptable derivative thereof convertible in vivo to amino; R6 is a C1-3 alkylene group; and R7 is 3-pyridyl, N-oxo-3-pyridyl; 6-methyl-3-pyridyl; N-oxo-6-methyl-3-pyridyl; 6-hydroxymethyl-3-pyridyl; 4,6-dimethyl-3-pyridyl; N-oxo-4,6-dimethyl-3-pyridyl; 6-hydroxymethyl-4-methyl-3-pyridyl; 5,6-dimethyl-3-pyridyl; N-oxo-5,6-dimethyl-3-pyridyl; 6-hydroxy-methyl-5-methyl-3-pyridyl; 4-pyridyl or N-oxo-4-pyridyl.

  本发明提供了可用作组胺 H-拮抗剂的式 (2)： 及其药学上可接受的盐类，可用作组胺 H拮抗剂。式（2）中 Hal 是卤素原子； R5 是氨基或可在体内转化为氨基的药学上可接受的衍生物； R6 是 C1-3 烷基；以及 R7 是 3-吡啶基、N-氧代-3-吡啶基、6-甲基-3-吡啶基、N-氧代-6-甲基-3-吡啶基、6-羟甲基-3-吡啶基、4,6-二甲基-3-吡啶基、N-氧代-4,6-二甲基-3-吡啶基；6-羟甲基-4-甲基-3-吡啶基；5,6-二甲基-3-吡啶基；N-氧代-5,6-二甲基-3-吡啶基；6-羟甲基-5-甲基-3-吡啶基；4-吡啶基或 N-氧代-4-吡啶基。