3,4-dihydro-6-(3,4-dimethoxyphenyl)-1,3-dimethyl-4-(2,4,6-trimethylphenylimino)-2(1H)pyrimidinone | 94937-11-8

• 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: 3,4-dihydro-6-(3,4-dimethoxyphenyl)-1,3-dimethyl-4-(2,4,6-trimethylphenylimino)-2(1H)pyrimidinone
• 英文别名: 3,4-dihydro-6-(3,4-dimethoxyphenyl)-1,3-dimethyl-4-(2,4,6-trimethylphenylimino)-2(1H)-pyrimidinone；4-(3,4-dimethoxyphenyl)-1,3-dimethyl-6-(2,4,6-trimethylphenyl)iminopyrimidin-2-one
• CAS: 94937-11-8
• 化学式: C₂₃H₂₇N₃O₃
• 分子量: 393.486
• InChiKey: WLUQFKLDOJWLIN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  29
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  54.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3,4-dihydro-6-(3,4-dimethoxyphenyl)-1,3-dimethyl-4-(2,4,6-trimethylphenylimino)-2(1H)pyrimidinone 以 氢溴酸 为溶剂， 生成 3,4-dihydro-6-(3,4-dihydroxyphenyl)-1,3-dimethyl-4-(2,4,6-trimethylphenylimino)-2(1H)-pyrimidinone
  参考文献：
  名称：

  3,4-dihydro-1,3-disubstituted-6-(substituted

  摘要：

  该发明涉及一种新型嘧啶酮化合物，具有抗过敏和心脏强效作用，其化学式为：##STR1## 其中R.sup.1和R.sup.2各自为较低的烷基，较低的烷氧羰基（较低）烷基，羧基（较低）烷基或二（较低）烷基氨基（较低）烷基，R.sup.3为羟基，较低的烷氧基，卤素（较低）烷氧基，较低的烷基硫醇，较低的烷基磺酰亚胺基，较低的烷基磺酰基，硝基，氨基或二（较低）烷基磺酰胺基，R.sup.4为羟基，较低的烷氧基，卤素（较低）烷氧基，较低的烷氧羰基（较低）烷氧基或羧基（较低）烷氧基，或R.sup.3和R.sup.4一起形成较低的烷基二氧杂环或较低的烷基亚甲基二氧杂环，R.sup.5为苯基，其上取代有1至4个选自较低的烷基和磺酰基的取代基，R.sup.10为氢或磺酰基，但当R.sup.1和R.sup.2均为较低的烷基且R.sup.3和R.sup.4均为较低的烷氧基时，R.sup.10为磺酰基，当R.sup.3为羟基时，R.sup.4为羟基，以及其药学上可接受的盐。

  公开号：

  US04649142A1
• 作为产物：
  描述：

  3,4-dihydro-6-(3,4-dimethoxyphenyl)-1,3-dimethyl-4-thioxo-2(1H)-pyrimidinone 、 碘甲烷 、 2,4,6-三甲基苯胺 在 正己烷 、 异丙醚 、 2,4,6-三甲基苯胺 、 氯仿 、 碳酸氢钠 、 magnesium sulfate 、 crude product 、 silica gel 作用下， 以 四氢呋喃 为溶剂， 反应 4.5h， 以to give 3,4-dihydro-6-(3,4-dimethoxyphenyl)-1,3-dimethyl-4-(2,4,6-trimethylphenylimino)-2(1H)-pyrimidinone (1.44 g)的产率得到3,4-dihydro-6-(3,4-dimethoxyphenyl)-1,3-dimethyl-4-(2,4,6-trimethylphenylimino)-2(1H)pyrimidinone
  参考文献：
  名称：

  Substituted-3,4-dihydro-4-(2,4,6-trime

  摘要：

  新的嘧啶衍生物的化学式为：##STR1## 其中Z是从##STR2##中选择的基团，其中R.sup.1和R.sup.2分别是氢，烯基，ar（较低）烷基或较低烷基，可选地被环氧，羟基，氨基和/或较低烷基氨基取代，R.sup.5是较低烷基，R.sup.3是氢，取代有较低烷基，较低烷氧基和/或卤素的芳基，或取代有较低烷基的吡啶基，R.sup.4是氢，较低烷基或取代有较低烷氧基的苯基，Y是.dbd.O，.dbd.S或.dbd.N--R.sup.6，其中R.sup.6是较低烷基；环（较低）烷基；取代有较低烷氧基的ar（较低）烷基；取代有较低烷基的含氮不饱和杂环基；或取代有羟基，较低烷基，卤素或较低烷氧基的芳基，其中较低烷氧基取代基可以被环氧，羟基，氨基和/或较低烷基氨基取代，但当R.sup.3和R.sup.4分别为氢时，Y是.dbd.N--R.sup.6，当R.sup.1和R.sup.2分别为氢或较低烷基且R.sup.3为苯基时，Y是.dbd.S或.dbd.N--R.sup.6，其药学上可接受的盐以及制备它们的过程和包含它们的制药组合物。这些衍生物及其盐可用作心脏强心剂，降压剂，脑血管扩张剂和抗血小板剂。

  公开号：

  US04612376A1

文献信息

• Substituted-3,4-dihydro-4-(2,4,6-trimethoxyphenylimino)-2(1H)-pyrimidone
  申请人：Fujisawa Pharmaceutical Co., Ltd.

  公开号：US04746664A1

  公开（公告）日：1988-05-24

  New pyrimidine derivatives of the formula: ##STR1## wherein Z is a group selected from ##STR2## in which R.sup.1 and R.sup.2 are each hydrogen, alkenyl, ar(lower)alkyl or lower alkyl optionally substituted with epoxy, hydroxy, amino and/or lower alkylamino and R.sup.5 is lower alkyl, R.sup.3 is hydrogen, aryl optionally substituted with lower alkyl, lower alkoxy and/or halogen, or pyridyl optionally substituted with lower alkyl, R.sup.4 is hydrogen, lower alkyl or phenyl optionally substituted with lower alkoxy, and Y is .dbd.O, .dbd.S or .dbd.N--R.sup.6, in which R.sup.6 is lower alkyl; cyclo(lower)alkyl; ar(lower)alkyl optionally substituted with lower alkoxy; N-containing unsaturated heterocyclic group optionally substituted with lower alkyl; or aryl optionally substituted with hydroxy, lower alkyl, halogen or lower alkoxy, in which lower alkoxy substituent may be substituted with epoxy, hydroxy, amino and/or lower alkylamino, provided that Y is .dbd.N--R.sup.6 when R.sup.3 and R.sup.4 are each hydrogen, and Y is .dbd.S or .dbd.N--R.sup.6 when R.sup.1 and R.sup.2 are each hydrogen or lower alkyl and R.sup.3 is phenyl, and pharmaceutically acceptable salts thereof, and processes for preparation thereof and pharmaceutical composition comprising the same. These derivatives and salts thereof are useful as cardiotonic, antihypertensive agent, cerebrovascular vasodilator and anti-platelet agent.

  新的嘧啶衍生物的化学式如下：##STR1## 其中Z是从##STR2##中选择的一组基团，其中R.sup.1和R.sup.2分别是氢，烯基，ar（较低）烷基或较低烷基，可选择地被环氧，羟基，氨基和/或较低烷基氨基取代，而R.sup.5是较低烷基，R.sup.3是氢，芳基，可选择地被较低烷基，较低烷氧基和/或卤素取代，或吡啶基，可选择地被较低烷基取代，R.sup.4是氢，较低烷基或苯基，可选择地被较低烷氧基取代，而Y是.dbd.O，.dbd.S或.dbd.N--R.sup.6，其中R.sup.6是较低烷基；环（较低）烷基；芳基，可选择地被较低烷氧基取代；含N的不饱和杂环基团，可选择地被较低烷基取代；或芳基，可选择地被羟基，较低烷基，卤素或较低烷氧基取代，其中较低烷氧基取代基团可被环氧，羟基，氨基和/或较低烷基氨基取代，前提是当R.sup.3和R.sup.4分别是氢时，Y是.dbd.N--R.sup.6，而当R.sup.1和R.sup.2分别是氢或较低烷基且R.sup.3是苯基时，Y是.dbd.S或.dbd.N--R.sup.6，以及其药学上可接受的盐，以及制备它们的过程和包含它们的制药组合物。这些衍生物及其盐可用作心脏强心剂，降压剂，脑血管扩张剂和抗血小板剂。
• Substituted-3,4-dihydro-4-(2,4,6-trime
  申请人：Fujisawa Pharmaceutical Co., Ltd.

  公开号：US04612376A1

  公开（公告）日：1986-09-16

  New pyrimidine derivatives of the formula: ##STR1## wherein Z is a group selected from ##STR2## in which R.sup.1 and R.sup.2 are each hydrogen, alkenyl, ar(lower)alkyl or lower alkyl optionally substituted with epoxy, hydroxy, amino and/or lower alkylamino and R.sup.5 is lower alkyl, R.sup.3 is hydrogen, aryl optionally substituted with lower alkyl, lower alkoxy and/or halogen, or pyridyl optionally substituted with lower alkyl, R.sup.4 is hydrogen, lower alkyl or phenyl optionally substituted with lower alkoxy, and Y is .dbd.O, .dbd.S or .dbd.N--R.sup.6, in which R.sup.6 is lower alkyl; cyclo(lower)alkyl; ar(lower)alkyl optionally substituted with lower alkoxy; N-containing unsaturated heterocyclic group optionally substituted with lower alkyl; or aryl optionally substituted with hydroxy, lower alkyl, halogen or lower alkoxy, in which lower alkoxy substituent may be substituted with epoxy, hydroxy, amino and/or lower alkylamino, provided that Y is .dbd.N--R.sup.6 when R.sup.3 and R.sup.4 are each hydrogen, and Y is .dbd.S or .dbd.N--R.sup.6 when R.sup.1 and R.sup.2 are each hydrogen or lower alkyl and R.sup.3 is phenyl, and pharmaceutically acceptable salts thereof, and processes for preparation thereof and pharmaceutical composition comprising the same. These derivatives and salts thereof are useful as cardiotonic, antihypertensive agent, cerebrovascular vasodilator and anti-platelet agent.

  新的嘧啶衍生物的化学式为：##STR1## 其中Z是从##STR2##中选择的基团，其中R.sup.1和R.sup.2分别是氢，烯基，ar（较低）烷基或较低烷基，可选地被环氧，羟基，氨基和/或较低烷基氨基取代，R.sup.5是较低烷基，R.sup.3是氢，取代有较低烷基，较低烷氧基和/或卤素的芳基，或取代有较低烷基的吡啶基，R.sup.4是氢，较低烷基或取代有较低烷氧基的苯基，Y是.dbd.O，.dbd.S或.dbd.N--R.sup.6，其中R.sup.6是较低烷基；环（较低）烷基；取代有较低烷氧基的ar（较低）烷基；取代有较低烷基的含氮不饱和杂环基；或取代有羟基，较低烷基，卤素或较低烷氧基的芳基，其中较低烷氧基取代基可以被环氧，羟基，氨基和/或较低烷基氨基取代，但当R.sup.3和R.sup.4分别为氢时，Y是.dbd.N--R.sup.6，当R.sup.1和R.sup.2分别为氢或较低烷基且R.sup.3为苯基时，Y是.dbd.S或.dbd.N--R.sup.6，其药学上可接受的盐以及制备它们的过程和包含它们的制药组合物。这些衍生物及其盐可用作心脏强心剂，降压剂，脑血管扩张剂和抗血小板剂。
• 3,4-dihydro-1,3-disubstituted-6-(substituted
  申请人：Fujisawa Pharmaceutical Co., Ltd.

  公开号：US04649142A1

  公开（公告）日：1987-03-10

  The invention relates to novel pyrimidinone compounds of anti-allergic and cardiotonic activity of the formula: ##STR1## wherein R.sup.1 and R.sup.2 are each lower alkyl, lower alkoxycarbonyl(lower)alkyl, carboxy(lower)alkyl or di(lower)alkylamino(lower)alkyl, R.sup.3 is hydroxy, lower alkoxy, halo(lower)alkoxy, lower alkylthio, lower alkanesulfinyl, lower alkanesulfonyl, nitro, amino or di(lower)alkanesulfonylamino, R.sup.4 is hydroxy, lower alkoxy, halo(lower)alkoxy, lower alkoxycarbonyl(lower)alkoxy or carboxy(lower)alkoxy, or R.sup.3 and R.sup.4 are taken together to form lower alkylenedioxy or lower alkylidenedioxy, R.sup.5 is phenyl substituted with 1 to 4 substituents selected from the group consisting of lower alkyl and sulfamyl, R.sup.10 is hydrogen or sulfamyl, provided that when both of R.sup.1 and R.sup.2 are lower alkyl and R.sup.3 and R.sup.4 are lower alkoxy, then R.sup.10 is sulfamoyl, and that when R.sup.3 is hydroxy, then R.sup.4 is hydroxy, and pharmaceutically acceptable salts thereof.

  该发明涉及一种新型嘧啶酮化合物，具有抗过敏和心脏强效作用，其化学式为：##STR1## 其中R.sup.1和R.sup.2各自为较低的烷基，较低的烷氧羰基（较低）烷基，羧基（较低）烷基或二（较低）烷基氨基（较低）烷基，R.sup.3为羟基，较低的烷氧基，卤素（较低）烷氧基，较低的烷基硫醇，较低的烷基磺酰亚胺基，较低的烷基磺酰基，硝基，氨基或二（较低）烷基磺酰胺基，R.sup.4为羟基，较低的烷氧基，卤素（较低）烷氧基，较低的烷氧羰基（较低）烷氧基或羧基（较低）烷氧基，或R.sup.3和R.sup.4一起形成较低的烷基二氧杂环或较低的烷基亚甲基二氧杂环，R.sup.5为苯基，其上取代有1至4个选自较低的烷基和磺酰基的取代基，R.sup.10为氢或磺酰基，但当R.sup.1和R.sup.2均为较低的烷基且R.sup.3和R.sup.4均为较低的烷氧基时，R.sup.10为磺酰基，当R.sup.3为羟基时，R.sup.4为羟基，以及其药学上可接受的盐。
• Pyrimidones as cardiotonic, anti hypertensive, cerebrovascular
  申请人：Fujisawa Pharmaceutical Co., Ltd.

  公开号：US04824851A1

  公开（公告）日：1989-04-25

  New pyrimidine derivatives of the formula: ##STR1## wherein Z is a group selected from ##STR2## in which R.sup.1 and R.sup.2 are each hydrogen, alkenyl, ar(lower)alkyl or lower alkyl optionally substituted with epoxy, hydroxy, amino and/or lower alkylamino and R.sup.5 is lower alkyl, R.sup.3 is hydrogen, aryl optionally substituted with lower alkyl, lower alkoxy and/or halogen, or pyridyl optionally substituted with lower alkyl, R.sup.4 is hydrogen, lower alkyl or phenyl optionally substituted with lower alkoxy, and Y is.dbd.O, .dbd.S or .dbd.N--R.sup.6, in which R.sup.6 is lower alkyl; cyclo(lower)alkyl; ar(lower)alkyl optionally substituted with lower alkoxy; N-containing unsaturated heterocyclic group optionally substituted with lower alkyl; or aryl optionally substituted with hydroxy, lower alkyl, halogen or lower alkoxy, in which lower alkoxy substituent may be substituted with epoxy, hydroxy, amino and/or lower alkylamino, provided that Y is.dbd.N--R.sup.6 when R.sup.3 and R.sup.4 are each hydrogen, and Y is.dbd.S or.dbd.N--R.sup.6 when R.sup.1 and R.sup.2 are each hydrogen or lower alkyl and R.sup.3 is phenyl, and pharmaceutically acceptable salts thereof, and processes for preparation thereof and pharmaceutical composition comprising the same. These derivatives and salts thereof are useful as cardiotonic, antihypertensive agent, cerebrovascular vasodilator and anti-platelet agent.

  公式为：##STR1## 其中Z是从##STR2## 中选择的一组，其中R.sup.1和R.sup.2分别为氢、烯丙基、ar（较低）烷基或较低烷基，可选地取代环氧、羟基、氨基和/或较低烷基氨基，而R.sup.5为较低烷基，R.sup.3为氢、芳基，可选地取代较低烷基、较低烷氧基和/或卤素，或吡啶基，可选地取代较低烷基，而R.sup.4为氢、较低烷基或苯基，可选地取代较低烷氧基，而Y为.dbd.O、.dbd.S或.dbd.N--R.sup.6，其中R.sup.6为较低烷基；环（较低）烷基；ar（较低）烷基，可选地取代较低烷氧基；含氮不饱和杂环基，可选地取代较低烷基；或芳基，可选地取代羟基、较低烷基、卤素或较低烷氧基，其中较低烷氧基取代基可以被环氧、羟基、氨基和/或较低烷基氨基取代，但当R.sup.3和R.sup.4分别为氢时，Y为.dbd.N--R.sup.6，当R.sup.1和R.sup.2分别为氢或较低烷基且R.sup.3为苯基时，Y为.dbd.S或.dbd.N--R.sup.6，并且它们的药物可接受的盐以及制备它们的过程和包含它们的制药组合物。这些衍生物及其盐可用作心脏强心剂、降压剂、脑血管扩张剂和抗血小板剂。