2-[3-[3-(Piperidinomethyl)phenoxy]propyl]-5-methoxypyrimidin-4-one | 104361-57-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 2-[3-[3-(Piperidinomethyl)phenoxy]propyl]-5-methoxypyrimidin-4-one
• 英文别名: 5-methoxy-2-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-1H-pyrimidin-6-one
• CAS: 104361-57-1
• 化学式: C₂₀H₂₇N₃O₃
• 分子量: 357.453
• InChiKey: HIGRUHKUNUWBFD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  26
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  63.2
• 氢给体数：
  1
• 氢受体数：
  5

文献信息

• Pyrimidine compounds
  申请人：SMITH KLINE & FRENCH LABORATORIES LIMITED

  公开号：EP0180298A2

  公开（公告）日：1986-05-07

  Compounds of the formula (I) :- (1) and their salts are histamine H,-antagonists, wher in: R° is 2-guanidinothiazol-4-yl or a group R 1R2N(CHn-Z-wherein R1 and R2 are independently hydrogen, C1-6alkyl, phenyl(C1-6)alkyl, furanyl(C1-6)alkyl, thienyl(C1-8)alkyl, C3-10 cycloalkyl, hydroxy(C2-6)alkyl, or halo(C 2-6)alkyl (wherein said hydroxy and halo groups are not substituted on the carbon atom adjacent to the nitrogen atom); or R1 and R2 together represent - (OH2)r - wherein r is 4 to 7, to form together with the nitrogen atom to which they are attached a 5-8 membered saturated ring; n is an integer from 1 to 6; Z is 2,5-furanyl, 2,5-thienyl, 2,4-pyridyl wherein the R1R2N(CH2)n group is in the 4-position, 2,4-thiazolyl wherein the R1R2N(CH2)n group is in the 2-position, or 1,3- or 1,4-phenylene; m is one; or if Z is pyridyl or phenylene m may also be zero; Y is oxygen, sulphur or methylene; or if Z is furanyl, thienyl or thiazolyl Y may also be a bond; p is two, three or four; q is zero c one; R3 is hydrogen or C1-6alkyl; and R4 is hydrogen, optionally substituted C1-6alkyl, C3-10-cycloalkyl, C3-10CY- cloalkyl(C1-6)alkyl, C2-6alkenyl or C2-6alkynyl,and when q is zero R4 may also be -(CH,)sB wherein s is 1 to 6 and B is optionally substituted aryl or heteroaryl. Pharmaceutical compositions containing them are described as are processes for their preparation.

  式(I):-的化合物 (1) 及其盐类是组胺 H拮抗剂，其中：R° 是 2-胍基噻唑-4-基或基团 R 1R2N(CHn-Z- 其中 R1 和 R2 独立地是氢、C1-6烷基、苯基(C1-6)烷基、呋喃基(C1-6)烷基、噻吩基(C1-8)烷基、C3-10 环烷基、羟基(C2-6)烷基或卤代(C 2-6)烷基（其中所述羟基和卤代基团未在邻近氮原子的碳原子上被取代）；或 R1 和 R2 共同代表-(OH2)r-，其中 r 为 4 至 7，与所连接的氮原子一起形成 5-8 位饱和环；n 为 1 至 6 的整数；Z 是 2,5-呋喃基、2,5-噻吩基、2,4-吡啶基（其中 R1R2N(CH2)n 基团位于 4 位）、2,4-噻唑基（其中 R1R2N( )n 基团位于 2 位）或 1,3-或 1,4-亚苯基；m为1；或者，如果Z为吡啶基或亚苯基，m也可以为0；Y为氧、硫或亚甲基；或者，如果Z为呋喃基、噻吩基或噻唑基，Y也可以是键；p为2、3或4；q为0 c为1；R3为氢或C1-6烷基；R4为氢、任选取代的C1-6烷基、C3-10-环烷基、C3-10CY-环烷基（C1-6）烷基、C2-6烯基或C2-6炔基，当q为0时，R4也可以是-(CH,)sB，其中s为1至6，B为任选取代的芳基或杂芳基。 本文还介绍了含有它们的药物组合物及其制备工艺。
• US4694008A
  申请人：——

  公开号：US4694008A

  公开（公告）日：1987-09-15