1-[[7-(2,3-Dichlorophenyl)-4,7-dihydro-5-methyl-pyrazolo[1,5-a]pyrimidin-6-yl]carbonyl]-4-(4-fluoro-phenyl)piperazine | 1099712-26-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 1-[[7-(2,3-Dichlorophenyl)-4,7-dihydro-5-methyl-pyrazolo[1,5-a]pyrimidin-6-yl]carbonyl]-4-(4-fluoro-phenyl)piperazine
• 英文别名: [7-(2,3-Dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone；[7-(2,3-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
• CAS: 1099712-26-1
• 化学式: C₂₄H₂₂Cl₂FN₅O
• 分子量: 486.376
• InChiKey: FLNCEWAOBJCYIB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  33
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  53.4
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1-[[7-(2,3-Dichlorophenyl)-4,7-dihydro-5-methyl-pyrazolo[1,5-a]pyrimidin-6-yl]carbonyl]-4-(4-fluoro-phenyl)piperazine 生成 [(7R)-7-(2,3-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone 、 [(7S)-7-(2,3-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
  参考文献：
  名称：

  Dihydropyrazolopyrimidine Inhibitors of KV1.5 (IKur)

  摘要：

  A series of dihydropyrazolopyrimidine inhibitors of K(V)1.5 (I-Kur) have been identified. The synthesis, structure-activity relationships and selectivity against several other ion channels are described. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.10.099
• 作为产物：
  描述：

  3-氨基吡唑 、 在 sodium acetate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 17.0h， 生成 1-[[7-(2,3-Dichlorophenyl)-4,7-dihydro-5-methyl-pyrazolo[1,5-a]pyrimidin-6-yl]carbonyl]-4-(4-fluoro-phenyl)piperazine
  参考文献：
  名称：

  Dihydropyrazolopyrimidine Inhibitors of KV1.5 (IKur)

  摘要：

  A series of dihydropyrazolopyrimidine inhibitors of K(V)1.5 (I-Kur) have been identified. The synthesis, structure-activity relationships and selectivity against several other ion channels are described. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.10.099

文献信息

• Heterocyclic dihydropyrimidine compounds
  申请人：——

  公开号：US20030022890A1

  公开（公告）日：2003-01-30

  Novel heterocyclic dihydropyrimidine compounds useful as inhibitors of potassium channel function (especially inhibitors of the K v 1 subfamily of voltage gated K + channels, especially inhibitors K v 1.5 which has been linked to the ultra-rapidly activating delayed rectifier K + current I Kur ), methods of using such compounds in the prevention and treatment of arrhythmia and I Kur -associated conditions, and pharmaceutical compositions containing such compounds.

  本发明涉及一种新型杂环二氢嘧啶化合物，其可作为钾通道功能抑制剂（特别是Kv1亚家族电压门控K+通道的抑制剂，特别是与超快速激活延迟整流K+电流IKur相关的Kv1.5的抑制剂），以及使用这些化合物在预防和治疗心律失常和IKur相关疾病方面的方法，以及含有这些化合物的药物组合物。
• [EN] HETEROCYCLIC DIHYDROPYRIMIDINES AS POTASSIUM CHANNEL INHIBITORS<br/>[FR] DIHYDROPYRIMIDINES HETEROCYCLIQUES UTILES EN TANT QU'INHIBITEURS DES CANAUX POTASSIUM
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2001040231A1

  公开（公告）日：2001-06-07

  Novel heterocyclic dihydropyrimidine compounds useful as inhibitors of potassium channel function (especially inhibitors of the Kv1 subfamily of voltage gated K+ channels, especially inhibitors K¿v?1.5 which has been linked to the ultra-rapidly activating delayed rectifier K?+¿ current I¿Kur?), methods of using such compounds in the prevention and treatment of arrhythmia and IKur-associated conditions, and pharmaceutical compositions containing such compounds.

  新型杂环二氢嘧啶化合物可作为钾通道功能抑制剂使用（特别是Kv1亚家族电压门控K+通道的抑制剂，特别是与超快速激活延迟整流K+电流IKur相关的Kv1.5抑制剂），使用这种化合物预防和治疗心律失常和IKur相关疾病的方法，以及含有这种化合物的制药组合物。
• HETEROCYCLIC DIHYDROPYRIMIDINES AS POTASSIUM CHANNEL INHIBITORS
  申请人：BRISTOL-MYERS SQUIBB COMPANY

  公开号：EP1237891A1

  公开（公告）日：2002-09-11
• US6706720B2
  申请人：——

  公开号：US6706720B2

  公开（公告）日：2004-03-16
• US7157451B2
  申请人：——

  公开号：US7157451B2

  公开（公告）日：2007-01-02