3-Oxa-8-azabicyclo[3.2.1]octan-8-yl(piperidin-4-yl)methanone | 1224979-20-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 3-Oxa-8-azabicyclo[3.2.1]octan-8-yl(piperidin-4-yl)methanone
• CAS: 1224979-20-7
• 化学式: C₁₂H₂₀N₂O₂
• 分子量: 224.303
• InChiKey: BUGZFQHKQPLIIQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  41.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-bromo-1-methyl-1-H-pyrrolo[2,3-b]pyridine-3-carbaldehyde 、 3-Oxa-8-azabicyclo[3.2.1]octan-8-yl(piperidin-4-yl)methanone 在 tris-(dibenzylideneacetone)dipalladium(0) 、 dipotassium hydrogenphosphate 、 2-二环己膦基-2'-(N,N-二甲胺)-联苯 作用下， 以 1,4-二氧六环 为溶剂， 生成 4-(4-(3-oxa-8-azabicyclo[3.2.1]octane-8-carbonyl)piperidin-1-yl)-1-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde
  参考文献：
  名称：

  4-Substituted-7-azaindoles bearing a ureidobenzofuranone moiety as potent and selective, ATP-competitive inhibitors of the mammalian target of rapamycin (mTOR)

  摘要：

  A series of 5-ureidobenzofuranones was discovered as potent and selective inhibitors of mTOR with good cellular activity. Molecular modeling studies revealed several hydrogen bond interactions of the ureido group with the enzyme at the ATP-binding site. Furthermore, modeling showed that the ureido group is best situated at C-5 of the benzofuranone. Syntheses of 4-ureido and 5-ureidobenzofuranones are presented. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.02.012

文献信息

• [EN] COMPOUNDS USEFUL IN THE TREATMENT OR PREVENTION OF A PRMT5-MEDIATED DISORDER<br/>[FR] COMPOSÉS UTILES POUR TRAITER OU PRÉVENIR UN TROUBLE INDUIT PAR PRMT5
  申请人：ARGONAUT THERAPEUTICS LTD

  公开号：WO2018167269A1

  公开（公告）日：2018-09-20

  The present disclosure relates to compounds suitable for the inhibition of protein arginine methyl-transferase (PRMT), in particular PRMT5. These compounds may be for use as therapeutic agents, in particular, agents for use in the treatment and/or prevention of proliferative diseases, such as cancer.

  本公开涉及适用于抑制蛋白精氨酸甲基转移酶（PRMT），特别是PRMT5的化合物。这些化合物可用作治疗剂，特别是用于治疗和/或预防增生性疾病，如癌症的药物。
• COMPOUNDS USEFUL IN THE TREATMENT OR PREVENTION OF A PRMT5-MEDIATED DISORDER
  申请人：ARGONAUT THERAPEUTICS LIMITED

  公开号：US20200325128A1

  公开（公告）日：2020-10-15

  The present disclosure relates to compounds suitable for the inhibition of protein arginine methyl-transferase (PRMT), in particular PRMT5. These compounds may be for use as therapeutic agents, in particular, agents for use in the treatment and/or prevention of proliferative diseases, such as cancer.