5-nitro-2-[3-(3-piperidinomethylphenoxy)propylamino]-4(3H)-pyrimidone

• 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: 5-nitro-2-[3-(3-piperidinomethylphenoxy)propylamino]-4(3H)-pyrimidone
• 英文别名: 5-nitro-2-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]-1H-pyrimidin-6-one
• 化学式: C₁₉H₂₅N₅O₄
• 分子量: 387.439
• InChiKey: BWPREQYEXQAUOY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  28
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  112
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  5-nitro-2-[3-(3-piperidinomethylphenoxy)propylamino]-4(3H)-pyrimidone 生成 5-amino-2-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]-1H-pyrimidin-6-one;dihydrochloride
  参考文献：
  名称：

  ALGIERI, ALDO A.

  摘要：

  DOI：
• 作为产物：
  描述：

  N-[3-(3-Piperidinomethylphenoxy)propyl]guanidine nitrate 生成 5-nitro-2-[3-(3-piperidinomethylphenoxy)propylamino]-4(3H)-pyrimidone
  参考文献：
  名称：

  ALGIERI, ALDO A.

  摘要：

  DOI：

文献信息

• 2,5-disubstituted-4(3H)-pyrimidones having histamine H.sub.2 -receptor
  申请人：Bristol-Myers Company

  公开号：US04772704A1

  公开（公告）日：1988-09-20

  Histamine H.sub.2 -antagonists of the formula: ##STR1## wherein m is an integer of from zero to 2, inclusive; n is an integer of from 2 to 5 inclusive; Z is sulfur, oxygen or methylene; R.sup.1 is NO.sub.2 or NR.sup.2 R.sup.3 ; R.sup.2 and R.sup.3 each are independently hydrogen or (lower)alkyl, or, when R.sup.2 is hydrogen, R.sup.3 also may be formyl, carboalkoxy, alkanoyl or benzoyl; A is phenyl, furyl, thienyl, pyridyl, thiazolyl, imidazolyl, oxazolyl, oxadiazolyl, thiadiazolyl, triazolyl, isoxazolyl, isothiazolyl, pyrimidinyl, pyrazolyl, pyridazinyl or pyrazinyl; provided that A contains one or two substituents, the first substituent being selected from ##STR2## and the second substituent being selected from (lower)alkyl, hydroxy, trifluoromethyl, halogen, amino, hydroxymethyl and (lower)alkoxy; q is an integer of from 0 to 6, inclusive; R.sup.4 is a hydrogen atom, a (lower)alkyl group optionally substituted by one or more halogen atoms, provided that there is no halogen atom on the carbon atom attached to the nitrogen atom, or a cyclo(lower)alkyl, cyclo(lower)alkyl(lower)alkyl, (lower)alkanoyl or benzoyl group; R.sup.6 and R.sup.7 each are independently hydrogen, (lower)alkyl, (lower)alkenyl, (lower)alkynyl, phenyl(lower)alkyl or (lower)alkoxy(lower)alkyl in which the (lower)alkoxy moiety is at least two carbon atoms removed from the nitrogen atom, or R.sup.6 and R.sup.7, taken together with the nitrogen atom to which they are attached, may be pyrrolidino, methylpyrrolidino, dimethylpyrrolidino, morpholino, thiomorpholino, piperidino, methylpiperidino, dimethylpiperidino, hydroxypiperidino, N-methylpiperazino, homopiperidino, heptamethyleneimino, octamethyleneimino or 3-azabicyclo[3.2.2]non-3-yl; or a nontoxic pharmaceutically acceptable acid addition salt thereof.

  组方的组胺H.sub.2-拮抗剂的化学式：其中m是从零到2的整数，包括0和2；n是从2到5的整数，包括2和5；Z是硫、氧或亚甲基；R.sup.1是NO.sub.2或NR.sup.2R.sup.3；R.sup.2和R.sup.3分别独立地是氢或(较低)烷基，或者当R.sup.2是氢时，R.sup.3也可以是甲酰基、羧烷氧基、烷酰基或苯甲酰基；A是苯基、呋喃基、噻吩基、吡啶基、噻唑基、咪唑基、噁唑基、噁二唑基、噻二唑基、三唑基、异噁唑基、异噻唑基、嘧啶基、吡唑基、吡啶嗪基或吡嗪基；前提是A含有一个或两个取代基，第一个取代基选自##STR2##，第二个取代基选自(较低)烷基、羟基、三氟甲基、卤素、氨基、羟甲基和(较低)烷氧基；q是从0到6的整数，包括0和6；R.sup.4是氢原子，一个(较低)烷基基团，可选地取代一个或多个卤素原子，前提是没有卤素原子连接到氮原子的碳原子上，或者是环(较低)烷基、环(较低)烷基(较低)烷基、(较低)烷酰基或苯甲酰基；R.sup.6和R.sup.7分别独立地是氢、(较低)烷基、(较低)烯基、(较低)炔基、苯基(较低)烷基或(较低)烷氧基(较低)烷基，其中(较低)烷氧基部分至少与氮原子相隔两个碳原子，或者R.sup.6和R.sup.7与它们连接的氮原子一起，可以是吡咯啉基、甲基吡咯啉基、二甲基吡咯啉基、吗啉基、硫吗啉基、哌啶基、甲基哌啶基、二甲基哌啶基、羟基哌啶基、N-甲基哌嗪基、环己亚哌啉基、环庚亚哌啉基或3-氮杂双环[3.2.2]壬-3-基；或其无毒的药学上可接受的酸盐。
• Aminopyrimidinone derivatives as histamine H2-antagonists
  申请人：SMITH KLINE & FRENCH LABORATORIES LIMITED

  公开号：EP0134096A2

  公开（公告）日：1985-03-13

  Compounds of the formula (I): and their salts are histamine H2-antagonists, wherein: R° is 2- guanidinothiazol-4-yl or a group R1R2N(CH2)nZ- wherein R1 and R2 are hydrogen or various substituted alkyl groups or are joined together to form a ring; n ist 1 to 6; Z is 2,5-furanyl, 2,5-thienyl, 2,4-pyridyl (wherein R1R2N(CH2)n- is at position 4), 2,4-thiazolyl (wherein R1R2N(CH2)n- is at position 2) or 1,3- or 1,4-phenylene; m is zero or one; Y is a bond, oxygen, sulphur or methylene; p is 2 to 4; q is zero or one; R3 is hydrogen or C1-6alkyl; and R4 is hydrogen or C1-6alkanoyl. Pharmaceutical compositions containing them are described as are processes for their preparation and intermediates therefor.

  式(I)化合物 及其盐类是组胺 H2-拮抗剂，其中R° 是 2-胍基噻唑-4-基或基团 R1R2N(CH2)nZ- 其中 R1 和 R2 是氢或各种取代的烷基或连接在一起形成环；nt 是 1 至 6；Z是2,5-呋喃基、2,5-噻吩基、2,4-吡啶基（其中R1R2N( )n-位于第4位）、2,4-噻唑基（其中R1R2N( )n-位于第2位）或1,3-或1,4-亚苯基；m是0或1；Y是键、氧、硫或亚甲基；p是2至4；q是0或1；R3是氢或C1-6烷基；R4是氢或C1-6烷酰基。 此外，还介绍了含有它们的药物组合物及其制备工艺和中间体。
• US4772704A
  申请人：——

  公开号：US4772704A

  公开（公告）日：1988-09-20