SPB00466 | 685540-36-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: SPB00466
• 英文别名: 3-[[3-(4-tert-butylphenyl)-[1,2,4]-oxadiazole-5-carbonyl]amino]-1-[3-trifluoromethylphenyl]thiourea；3-[[3-(4-Tertbutylphenyl)1,2,4-oxadiazole-5-carbonyl]amino]-1-[3-trifluoromethylphenyl]thiourea；1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazole-5-carbonyl]amino]-3-[3-(trifluoromethyl)phenyl]thiourea
• CAS: 685540-36-7
• 化学式: C₂₁H₂₀F₃N₅O₂S
• 分子量: 463.483
• InChiKey: CBJKKUZKXZJCFF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  32
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  124
• 氢给体数：
  3
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  3-(4-tert-butylphenyl)-[1,2,4]oxadiazole-5-carboxylic acid hydrazide 、 阿尔法,阿尔法,阿尔法位-三氟-间-甲苯异硫氰 以 N,N-二甲基甲酰胺 为溶剂， 以38%的产率得到SPB00466
  参考文献：
  名称：

  Oxadiazole-carbonylaminothioureas as SIRT1 and SIRT2 Inhibitors

  摘要：

  A new inhibitor for human sirtuin type proteins I and 2 (SIRTI and SIRT2) was discovered through virtual database screening in search of new scaffolds. A series of compounds was synthesized based on the hit compound (3-[[3-(4-tert-butylphenyl) 1,2,4-oxadiazole5 -carbonyl I amino] -I - [3-(tri fluoromethy I)phenyl] thiourea). The most potent compound in the series was nearly as potent as the reference compound (6-chloro-2,3,4,9-tetrahydro-IH-carbazole-l-carboxamide).

  DOI：

  10.1021/jm800639h

文献信息

• METHODS FOR TREATING OBESITY
  申请人：Gu Yansong

  公开号：US20110262362A1

  公开（公告）日：2011-10-27

  The present invention provides methods to reduce or inhibit weight gain by administering inhibitors of the SirT1 protein to a subject. Methods to identify such inhibitors are also disclosed.
• US8980852B2
  申请人：——

  公开号：US8980852B2

  公开（公告）日：2015-03-17
• US9168316B2
  申请人：——

  公开号：US9168316B2

  公开（公告）日：2015-10-27
• [EN] METHODS FOR TREATING OBESITY<br/>[FR] PROCÉDÉS POUR TRAITER L'OBÉSITÉ
  申请人：UNIV WASHINGTON

  公开号：WO2010042868A2

  公开（公告）日：2010-04-15

  The present invention provides methods to reduce or inhibit weight gain by administering inhibitors of the SirT1 protein to a subject. Methods to identify such inhibitors are also disclosed.