2-{[7-(2-hydroxy-3-phenoxypropyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetamide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 英文名称: 2-{[7-(2-hydroxy-3-phenoxypropyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetamide
• 英文别名: 2-[7-(2-hydroxy-3-phenoxypropyl)-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetamide
• 化学式: C₁₇H₁₉N₅O₅S
• 分子量: 405.4
• InChiKey: AHFUHNLZHGRMQO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  28
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  165
• 氢给体数：
  3
• 氢受体数：
  7

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