1,1-dimethylethyl 6-{[(5-{[(2,4,5-trichlorophenyl)oxy]methyl}-1,3,4-thiadiazol-2-yl)amino]carbonyl}-3,4-dihydro-2(1H)-isoquinolinecarboxylate | 1052695-89-2

• 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-{[(2,4,5-trichlorophenyl)oxy]methyl}-1,3,4-thiadiazol-2-yl)amino]carbonyl}-3,4-dihydro-2(1H)-isoquinolinecarboxylate
• 英文别名: tert-butyl 6-[[5-[(2,4,5-trichlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate
• CAS: 1052695-89-2
• 化学式: C₂₄H₂₃Cl₃N₄O₄S
• 分子量: 569.896
• InChiKey: QDCRBMAISMHRHB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  36
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  122
• 氢给体数：
  1
• 氢受体数：
  7

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。
• A PROCESS FOR THE PREPARATION OF 4-CARBOXY- 5,8,11- TRIS(CARBOXYMETHYL)- 1-PHENYL- 2-OXA- 5,8,11- TRIAZATRIDECAN- 13-OIC ACID
  申请人：Bracco Imaging S.p.A.

  公开号：EP1095009A2

  公开（公告）日：2001-05-02
• JP2002520305A
  申请人：——

  公开号：JP2002520305A

  公开（公告）日：2002-07-09
• JP4476486B2
  申请人：——

  公开号：JP4476486B2

  公开（公告）日：2010-06-09
• [EN] A PROCESS FOR THE PREPARATION OF 4-CARBOXY- 5,8,11- TRIS(CARBOXYMETHYL)- 1-PHENYL- 2-OXA- 5,8,11- TRIAZATRIDECAN- 13-OIC ACID<br/>[FR] PROCEDE DE PREPARATION D'ACIDE 4-CARBOXY- 5,8,11- TRIS(CARBOXYMETHYL)- 1-PHENYL- 2-OXA-5,8,11- TRIAZATRIDECANOIQUE-13
  申请人：BRACCO SPA

  公开号：WO2000002847A2

  公开（公告）日：2000-01-20

  A novel process for the preparation of the chelating agent of formula (I), 4-carboxy- 5,8,11- tris(carboxymethyl)- 1-phenyl-2-oxa-5,8,11-triazatridecan-13-oic acid, commonly named BOPTA.