4-(4-吡啶基)-2-哌嗪酮 | 166953-18-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 中文名称: 4-(4-吡啶基)-2-哌嗪酮
• 英文名称: 1-(4-pyridinyl)piperazin-2-one
• 英文别名: 4-(pyridin-4-yl)piperazin-2-one；4-(4-pyridyl)piperazin-2-one；4-pyridin-4-ylpiperazin-2-one
• CAS: 166953-18-0
• 化学式: C₉H₁₁N₃O
• mdl: MFCD09743777
• 分子量: 177.206
• InChiKey: WCDFJPZJXVQWQQ-UHFFFAOYSA-N

物化性质

• 沸点：
  437.1±35.0 °C(Predicted)
• 密度：
  1.201±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  45.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-(4-吡啶基)-2-哌嗪酮 、 α-Bromo-4-methoxycarbonylmethyloxy-acetophenone 以 N,N-二甲基甲酰胺 、 mineral oil 为溶剂， 生成 Methyl 4-[2-[4-(4-pyridyl)piperazin-2-one-1-yl]acetyl]-phenoxyacetate
  参考文献：
  名称：

  Heterocyclic compouds

  摘要：

  通式（M.sup.1).sub.n --Q--(M.sup.2).sub.1-n --L--A I的化合物，其中：n为0或1；M.sup.1为氨基；Q为含有碱性氮原子的芳香杂环基团；M.sup.2为亚胺基；L为模板基团；A为酸性基团，或其酯或酰胺衍生物，或磺酰胺基团；以及其药学上可接受的盐和前药，用于治疗通过粘附分子结合到GPIIb-IIIa介导的血小板聚集参与的疾病。还披露了新的化合物。

  公开号：

  US05753659A1
• 作为产物：
  描述：

  4-氯吡啶 、 2-哌嗪酮 在 三乙胺 作用下， 以 N-甲基吡咯烷酮 为溶剂， 反应 4.0h， 以92%的产率得到4-(4-吡啶基)-2-哌嗪酮
  参考文献：
  名称：

  Discovery of Potent EV71 Capsid Inhibitors for Treatment of HFMD

  摘要：

  Enterovirus 71 (EV71) is a major causative agent of hand, foot, and mouth disease (HFMD), which can spread its infections to the central nervous and other systems with severe consequences. The viral caspid protein VP1 is a well-known target for antiviral efficacy because its occupancy by suitable compounds could stabilize the virus capsid, thus preventing uncoating of virus for RNA release. In this Letter, design, synthesis, and biological evaluation of novel anti-EV71 agents (aminopyridyl 1,2,5-thiadiazolidine 1,1-dioxides) are described. One of the most promising compounds (14) showed excellent antiviral activity against EV71 (EC50 = 4 nM) and exhibited excellent in vivo efficacy in the EV71 infected mouse model.

  DOI：

  10.1021/acsmedchemlett.7b00188

文献信息

• Heterocyclic derivatives
  申请人：Zeneca Limited

  公开号：US05556977A1

  公开（公告）日：1996-09-17

  Compounds of formula I ##STR1## and metabolically labile esters and amides thereof, and pharmaceutically acceptable salts thereof, in which R.sup.13, M.sup.2, X.sup.1, Z.sup.1, Z.sup.1a, X.sup.2 and A.sup.1 have the meanings given in the specification. The compounds are useful as inhibitors of the binding of fibrinogen to glycoprotein IIb/IIIa. Intermediates are also disclosed.

  公式I的化合物及其代谢易降解的酯和酰胺，以及其药学上可接受的盐，其中R.sup.13，M.sup.2，X.sup.1，Z.sup.1，Z.sup.1a，X.sup.2和A.sup.1具有规范中给定的含义。这些化合物可用作抑制纤维蛋白原与糖蛋白IIb/IIIa结合的抑制剂。还披露了中间体。
• Heterocyclic compounds
  申请人：Zeneca Limited

  公开号：US05563141A1

  公开（公告）日：1996-10-08

  A compound of the general formula (M.sup.1).sub.n --Q--(M.sup.2).sub.1-n --L--A I wherein: n is 0 or 1; M.sup.1 is an amino group; Q is an aromatic heterocyclic group containing a basic nitrogen atom; M.sup.2 is an imino group; L is a template group; and A is an acidic group, or an ester or amide derivative thereof, or a sulphonamide group; and pharmaceutically acceptable salts and pro-drugs thereof, for use in the treatment of a disease in which platelet aggregation mediated by the binding of adhesion molecules to GPIIb-IIIa is involved. Novel compounds are also disclosed.

  一种通式为(M.sup.1).sub.n --Q--(M.sup.2).sub.1-n --L--A I的化合物，其中：n为0或1；M.sup.1为氨基基团；Q为含有碱性氮原子的芳香杂环基团；M.sup.2为亚胺基团；L为模板基团；A为酸性基团，或其酯或酰胺衍生物，或磺酰胺基团；以及其医药上可接受的盐和前药，用于治疗与 GPIIb-IIIa 结合的粘附分子介导的血小板聚集相关的疾病。还公开了新型化合物。
• Heterocyclic derivatives as platelet aggregation inhibitors
  申请人：ZENECA LIMITED

  公开号：EP0825184A1

  公开（公告）日：1998-02-25

  RS 3-Methyl-4-[4-(4-pyridyl)piperazin-1-yl]phenoxybutyric acid and metabolically labile ester or amides thereof, and pharmaceutically acceptable salts thereof useful as an inhibitor of the binding of fibrinogen to glycoprotein IIb/IIIa.

  RS 3-甲基-4-[4-(4-吡啶基)哌嗪-1-基]苯氧基丁酸及其代谢易变酯或酰胺，以及可用作纤维蛋白原与糖蛋白 IIb/IIIa 结合抑制剂的药学上可接受的盐。
• HETEROCYCLIC DERIVATIVES AS PLATELET AGGREGATION INHIBITORS
  申请人：ZENECA LIMITED

  公开号：EP0691959A1

  公开（公告）日：1996-01-17
• HETEROCYCLIC COMPOUNDS AS PLATELET AGGREGATION INHIBITORS
  申请人：ZENECA LIMITED

  公开号：EP0690847A1

  公开（公告）日：1996-01-10