benzyl (3R)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxylate | 1356026-83-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: benzyl (3R)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxylate
• CAS: 1356026-83-9
• 化学式: C₁₉H₁₈N₂O₃
• 分子量: 322.364
• InChiKey: GQVKZSBPBVMPRP-IBGZPJMESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  58.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  benzyl 1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indole-2-carboxylate 在 N-氯代丁二酰亚胺 作用下， 以 四氢呋喃 为溶剂， 生成 benzyl (3R)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxylate 、 Benzyl (S)-2-oxospiro[indoline-3,3'-pyrrolidine]-1'-carboxylate, AldrichCPR
  参考文献：
  名称：

  Novel and selective spiroindoline-based inhibitors of sky kinase

  摘要：

  We report the discovery of a novel series of spiroindoline-based inhibitors of Sky kinase that bind in the ATP-binding site and exhibit high levels of kinome selectivity through filling the Ala571-subpocket. These inhibitors exhibit moderate oral bioavailability in the rat due to low absorption across the gut wall. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.11.036

文献信息

• Novel and selective spiroindoline-based inhibitors of sky kinase
  作者：Noel A. Powell、Jeffrey T. Kohrt、Kevin J. Filipski、Michael Kaufman、Derek Sheehan、Jeremy E. Edmunds、Amy Delaney、Yuli Wang、Francis Bourbonais、Doh-Yeel Lee、Frank Schwende、Fang Sun、Pat McConnell、Cornel Catana、Huifen Chen、Jeff Ohren、Lisa A. Perrin

  DOI：10.1016/j.bmcl.2011.11.036

  日期：2012.1

  We report the discovery of a novel series of spiroindoline-based inhibitors of Sky kinase that bind in the ATP-binding site and exhibit high levels of kinome selectivity through filling the Ala571-subpocket. These inhibitors exhibit moderate oral bioavailability in the rat due to low absorption across the gut wall. (C) 2011 Elsevier Ltd. All rights reserved.