N-(3-(4-(3,4-dihydroisoquinolin-2(1H)-yl)pyrimidin-2-ylamino)phenyl)acetamide | 1228445-91-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四氢异喹啉
• 英文名称: N-(3-(4-(3,4-dihydroisoquinolin-2(1H)-yl)pyrimidin-2-ylamino)phenyl)acetamide
• 英文别名: N-[3-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]amino]phenyl]acetamide
• CAS: 1228445-91-7
• 化学式: C₂₁H₂₁N₅O
• 分子量: 359.431
• InChiKey: CHBCVOUDKVRLEZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  27
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  70.2
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  四氢异喹啉 在 N,N-二异丙基乙胺 、 三氟乙酸 作用下， 以 异丙醇 为溶剂， 反应 47.25h， 生成 N-(3-(4-(3,4-dihydroisoquinolin-2(1H)-yl)pyrimidin-2-ylamino)phenyl)acetamide
  参考文献：
  名称：

  Identification of a Potent, State-Dependent Inhibitor of Nav1.7 with Oral Efficacy in the Formalin Model of Persistent Pain

  摘要：

  Clinical human genetic studies have recently identified the tetrodotoxin (TTX) sensitive neuronal voltage gated sodium channel Nav1.7 (SCN9A) as a critical mediator of pain sensitization. Herein, we report structure-activity relationships for a novel series of 2,4-diaminotriazines that inhibit hNav1.7. Optimization efforts culminated in compound 52, which demonstrated pharmacokinetic properties appropriate for in vivo testing in rats. The binding site, of compound 52 on Nav1.7 was determined to be distinct from that of local anesthetics. Compound 52 inhibited tetrodotoxin-sensitive sodium channels recorded from rat sensory neurons and exhibited modest selectivity against the hERG potassium channel and against cloned and native tetrodotoxin-resistant sodium channels. Upon oral administration to rats, compound 52 produced dose- and exposure-dependent efficacy in the formalin model of pain.

  DOI：

  10.1021/jm200018k

文献信息

• [EN] STEM CELL CULTURES<br/>[FR] CULTURES DE CELLULES SOUCHES
  申请人：SCRIPPS RESEARCH INST

  公开号：WO2010065721A1

  公开（公告）日：2010-06-10

  The present invention relates compounds for stabilizing cells and methods of their use.

  本发明涉及用于稳定细胞的化合物及其使用方法。
• STEM CELL CULTURES
  申请人：Xu Yue

  公开号：US20110294761A1

  公开（公告）日：2011-12-01

  The present invention relates compounds for stabilizing cells and methods of their use.

  本发明涉及用于细胞稳定化的化合物及其使用方法。
• Stem cell cultures
  申请人：THE SCRIPPS RESEARCH INSTITUTE

  公开号：EP2789618A1

  公开（公告）日：2014-10-15

  The present invention relates to compounds for stabilising cells and methods of their use.

  本发明涉及用于稳定细胞的化合物及其使用方法。
• A COMPOSITION COMPRISING STEM CELL CULTURES
  申请人：The Scripps Research Institute

  公开号：EP3936508A1

  公开（公告）日：2022-01-12

  The present invention relates to compounds for stabilising cells and methods of their use.

  本发明涉及用于稳定细胞的化合物及其使用方法。
• Methods of enhancing cell survival of stem cells
  申请人：The Scripps Research Institute

  公开号：US10351822B2

  公开（公告）日：2019-07-16

  The present invention relates compounds for stabilizing cells and methods of their use.

  本发明涉及用于稳定细胞的化合物及其使用方法。