2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)thio]acetamide

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)thio]acetamide
• 英文别名: 2-(5-Acetyl-3-cyano-6-methylpyridin-2-yl)sulfanylacetamide
• 化学式: C₁₁H₁₁N₃O₂S
• 分子量: 249.293
• InChiKey: FDDBJVUZBNKEFV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  122
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  3-乙氧亚甲基-2,4-戊二酮 在 N-甲基吗啉 、 氢氧化钾 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 6.08h， 生成 2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)thio]acetamide
  参考文献：
  名称：

  5-乙酰基-3-氰基-6-甲基吡啶-2（1H）-亚硫醚的合成新方法及其性质

  摘要：

  DOI：

  10.1023/a:1011656605605

文献信息

• FP-Pocket-Binding Effectors and Methods for Using the Same to Modulate Telomerase Activity
  申请人：Skordalakes Emmanuel

  公开号：US20100158798A1

  公开（公告）日：2010-06-24

  The present invention embraces compounds selected for interacting with the Fingers-Palm pocket of telomerase and use thereof for modulating the activity of telomerase and preventing or treating diseases or conditions associated with telomerase.
• Screening Method and Compounds for Modulating Telomerase Activity
  申请人：Skordalakes Emmanuel

  公开号：US20120309759A1

  公开（公告）日：2012-12-06

  The present invention embraces methods for identifying compounds that modulate the activity of telomerase. Compounds of the invention are identified by designing or screening for a compound which binds to at least one amino acid residue of the TRBD, “thumb,” “finger,” and/or “palm” domain; or FP-pocket, PT-pocket or Th-pocket of telomerase and testing the compound for its ability to modulate the activity of telomerase. Compounds selected for interacting with the T-pocket or Fingers-Palm pocket of telomerase are also provided.
• SCREENING METHOD AND COMPOUNDS FOR MODULATING TELOMERASE ACTIVITY
  申请人：The Wistar Institute

  公开号：US20160067257A1

  公开（公告）日：2016-03-10

  The present invention embraces methods for identifying compounds that modulate the activity of telomerase. Compounds of the invention are identified by designing or screening for a compound which binds to at least one amino acid residue of the TRBD, “thumb,” “finger,” and/or “palm” domain; or FP-pocket, PT-pocket or Th-pocket of telomerase and testing the compound for its ability to modulate the activity of telomerase. Compounds selected for interacting with the T-pocket or Fingers-Palm pocket of telomerase are also provided.
• US8518940B2
  申请人：——

  公开号：US8518940B2

  公开（公告）日：2013-08-27
• US9234230B2
  申请人：——

  公开号：US9234230B2

  公开（公告）日：2016-01-12