1,1-dimethylethyl 6-{[(5-{[4-fluoro-2-(trifluoromethyl)phenyl]methyl}-1,3,4-thiadiazol-2-yl)amino]carbonyl}-3,4-dihydro-2(1H)-isoquinolinecarboxylate | 1052695-92-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四氢异喹啉
• 英文名称: 1,1-dimethylethyl 6-{[(5-{[4-fluoro-2-(trifluoromethyl)phenyl]methyl}-1,3,4-thiadiazol-2-yl)amino]carbonyl}-3,4-dihydro-2(1H)-isoquinolinecarboxylate
• 英文别名: tert-butyl 6-[[5-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1,3,4-thiadiazol-2-yl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate
• CAS: 1052695-92-7
• 化学式: C₂₅H₂₄F₄N₄O₃S
• 分子量: 536.55
• InChiKey: CLRWQGOAPLLWPZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  37
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  113
• 氢给体数：
  1
• 氢受体数：
  10

文献信息

• THIADIAZOLE DERIVATIVES, INHIBITORS OF STEAROYL-COA DESATURASE
  申请人：Bouillot Anne Marie Jeanne

  公开号：US20100120669A1

  公开（公告）日：2010-05-13

  The present invention relates to substituted thiadiazole compounds of the formula (I): and pharmaceutically acceptable salts thereof, to pharmaceutical compositions containing them and their use in medicine. In particular, the invention relates to compounds for modulating SCD activity.

  本发明涉及公式（I）的取代噻二唑化合物及其药学上可接受的盐，含有它们的制药组合物以及它们在医学上的应用。特别地，本发明涉及用于调节SCD活性的化合物。
• Quenched Fluorophores Conjugated to Peptides Via Linkers Containing Dithio Groups
  申请人：Sem Daniel S.

  公开号：US20100317119A1

  公开（公告）日：2010-12-16

  Disclosed are dithio compounds that include a quenched fluorophore and a non-fluorophore peptide linked via a dithio bond to the fluorophore. The dithio compounds may be used in methods for detecting thiol-containing compounds or dithio-containing compounds. The dithio compounds also may be used as cellular probes where the peptide portion of the compounds targets the compounds to a specific cellular location.
• US8927291B2
  申请人：——

  公开号：US8927291B2

  公开（公告）日：2015-01-06
• [EN] QUENCHED FLUOROPHORES CONJUGATED TO PEPTIDES VIA LINKERS CONTAINING DITHIO GROUPS<br/>[FR] FLUOROPHORES DÉSACTIVÉS CONJUGUÉS À DES PEPTIDES PAR L'INTERMÉDIAIRE DE LIANTS CONTENANT DES GROUPES DITHIO
  申请人：UNIV MARQUETTE

  公开号：WO2010147998A2

  公开（公告）日：2010-12-23

  Disclosed are dithio compounds that include a quenched fluorophore and a non-fluoropbore peptide linked via a dithio bond to the fluorophore The dithio compounds may be used in methods for detecting thiol-containing compounds or dithio-containing compounds The dithio compounds al&o may be used as cellular probes where the peptide portion of the compounds targets the compounds to a specific cellular location.