3-[(2S)-1-[7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carbonyl]pyrrolidin-2-yl]-4-methyl-1H-1,2,4-triazol-5-one | 1219833-02-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡唑并嘧啶类
• 英文名称: 3-[(2S)-1-[7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carbonyl]pyrrolidin-2-yl]-4-methyl-1H-1,2,4-triazol-5-one
• CAS: 1219833-02-9
• 化学式: C₂₁H₂₁Cl₂N₇O₂
• 分子量: 474.349
• InChiKey: TUANSRPAGGBPAR-BUSXIPJBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  32
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  94.9
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  7-(3,4-Dichlorophenyl)-4,7-dihydro-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid 、 4-methyl-3-[(2S)-pyrrolidin-2-yl]-1H-1,2,4-triazol-5-one 在 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 生成 3-[(2S)-1-[7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carbonyl]pyrrolidin-2-yl]-4-methyl-1H-1,2,4-triazol-5-one
  参考文献：
  名称：

  Pyrrolidine amides of pyrazolodihydropyrimidines as potent and selective KV1.5 blockers

  摘要：

  Design and synthesis of pyrazolodihydropyrimidines as K(V)1.5 blockers led to the discovery of 7d as a potent and selective antagonist. This compound showed atrial selective prolongation of effective refractory period in rabbits and was selected for clinical development. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.12.085

文献信息

• Pyrrolidine amides of pyrazolodihydropyrimidines as potent and selective KV1.5 blockers
  作者：John Lloyd、Heather J. Finlay、Wayne Vacarro、Tram Hyunh、Alexander Kover、Rao Bhandaru、Lin Yan、Karnail Atwal、Mary Lee Conder、Tonya Jenkins-West、Hong Shi、Christine Huang、Danshi Li、Huabin Sun、Paul Levesque

  DOI：10.1016/j.bmcl.2009.12.085

  日期：2010.2

  Design and synthesis of pyrazolodihydropyrimidines as K(V)1.5 blockers led to the discovery of 7d as a potent and selective antagonist. This compound showed atrial selective prolongation of effective refractory period in rabbits and was selected for clinical development. (C) 2010 Elsevier Ltd. All rights reserved.