(E)-1-(2,3-dihydro-6-methoxychromen-4-ylideneamino)-3-(4-(piperidin-1-yl)butyl)imidazolidine-2,4-dione | 1145670-74-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑烷类
• 英文名称: (E)-1-(2,3-dihydro-6-methoxychromen-4-ylideneamino)-3-(4-(piperidin-1-yl)butyl)imidazolidine-2,4-dione
• 英文别名: 1-[4-(2,3-dihydro-6-methoxy)benzopyran]imido-3-(4-piperidine) butyl-2,4-imidazoledione；1-[(E)-(6-methoxy-2,3-dihydrochromen-4-ylidene)amino]-3-(4-piperidin-1-ylbutyl)imidazolidine-2,4-dione
• CAS: 1145670-74-1
• 化学式: C₂₂H₃₀N₄O₄
• 分子量: 414.505
• InChiKey: BLMAEUFVWGPBQK-FCDQGJHFSA-N

物化性质

• 沸点：
  558.9±60.0 °C(predicted)
• 密度：
  1.31±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  30
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  74.7
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  6-甲氧基-4-二氢色原酮 、 1-Amino-3-(4-piperidin-1-ylbutyl)imidazolidine-2,4-dione 在 溶剂黄146 作用下， 以 乙醇 为溶剂， 反应 4.5h， 以22.41%的产率得到(E)-1-(2,3-dihydro-6-methoxychromen-4-ylideneamino)-3-(4-(piperidin-1-yl)butyl)imidazolidine-2,4-dione
  参考文献：
  名称：

  Molecular hybridization, synthesis, and biological evaluation of novel chroman IKr and IKs dual blockers

  摘要：

  The combination of I-Kr and I-Ks blockade could lead to synergistic and safe class III anti-arrhythmic effect with the enhanced efficacy and reduced risk. On the rationale of structural hybridization of azimilide and HMR-1556, a novel series of IKr and IKs dual blockers were designed, synthesized and evaluated in vitro. One compound, 3r (CPUY11018), deserves further evaluation for its potent anti-arrhythmic activity and favorable cardiovascular profile. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.01.022

文献信息

• Chroman Compound, Processes for Its Preparation, and Its Pharmaceutical Use
  申请人：You Qidong

  公开号：US20080103307A1

  公开（公告）日：2008-05-01

  The present invention provided a chroman compound, the method of its preparation and pharmaceutical applications. The compound are represented by formula (I) and its pharmaceutical salt, where in :x is for O or S; n is for 2, 3 or 4; R 1 is 6-situ or 7-situ halogen, C 1-4 alkyl, C 1-4 alkyoxyl, benzyloxy, acylamino; R 2 is nitrogen-containing pentatomic or hexahydric substituted heterocyclic ring. The compound is useful to prepare anti-arrhythmic drugs, the reaction conditions of the method are mild, the raw material are plenty and easy to be obtained, and the operation and post-treatment are simple.

  本发明提供了一种色酮化合物、其制备方法和药物应用。该化合物由公式(I)及其药物盐表示，其中：x代表O或S；n代表2、3或4；R1为6-位或7-位卤素、C1-4烷基、C1-4烷氧基、苄氧基、酰胺基；R2为含氮的五元或六元取代杂环。该化合物可用于制备抗心律失常药物，制备方法反应条件温和，原料丰富且易得，操作和后处理简单。
• US7772230B2
  申请人：——

  公开号：US7772230B2

  公开（公告）日：2010-08-10
• Molecular hybridization, synthesis, and biological evaluation of novel chroman IKr and IKs dual blockers
  作者：Lupei Du、Minyong Li、Qian Yang、Yiqun Tang、Qidong You、Lin Xia

  DOI：10.1016/j.bmcl.2009.01.022

  日期：2009.3

  The combination of I-Kr and I-Ks blockade could lead to synergistic and safe class III anti-arrhythmic effect with the enhanced efficacy and reduced risk. On the rationale of structural hybridization of azimilide and HMR-1556, a novel series of IKr and IKs dual blockers were designed, synthesized and evaluated in vitro. One compound, 3r (CPUY11018), deserves further evaluation for its potent anti-arrhythmic activity and favorable cardiovascular profile. (C) 2009 Elsevier Ltd. All rights reserved.