3-[4-(2,3-dihydrobenzo[1,4]dioxin-6-yl)-5-oxo-4,5-dihydro[1,3,4]oxadiazol-2-yl]propionaldehyde | 1618677-73-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并二恶烷
• 英文名称: 3-[4-(2,3-dihydrobenzo[1,4]dioxin-6-yl)-5-oxo-4,5-dihydro[1,3,4]oxadiazol-2-yl]propionaldehyde
• 英文别名: 3-[4-(2,3-Dihydro-1,4-benzodioxin-6-yl)-5-oxo-1,3,4-oxadiazol-2-yl]propanal；3-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-1,3,4-oxadiazol-2-yl]propanal
• CAS: 1618677-73-8
• 化学式: C₁₃H₁₂N₂O₅
• 分子量: 276.249
• InChiKey: MHSAYLSZXWJCHL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  77.4
• 氢给体数：
  0
• 氢受体数：
  6

文献信息

• [EN] ANTIBACTERIAL OXADIAZOLONE DERIVATIVES<br/>[FR] DÉRIVÉS D'OXADIAZOLONE ANTIBACTÉRIENS
  申请人：ACTELION PHARMACEUTICALS LTD

  公开号：WO2014108836A1

  公开（公告）日：2014-07-17

  The invention relates to antibacterial compounds of formula (I) wherein U represents CH or N; V represents CH or N, provided that at least one of U and V does not represent N; R represents H, halogen, methyl, methoxy, cyano or ethynyl; either W represents a phenyl group substituted in para position with (C1 -C3)alkyl, (C1-C3)alkoxy or (C1-C3)thioalkoxy and optionally in meta position with halogen, or W is a group having one of the formulae W1 and W2 below wherein Q is O or S and X is CH or N; and salts of such compounds.

  该发明涉及式(I)的抗菌化合物，其中U代表CH或N；V代表CH或N，前提是U和V中至少有一个不代表N；R代表H、卤素、甲基、甲氧基、氰基或乙炔基；W代表一个苯基，该苯基在对位被(C1-C3)烷基、(C1-C3)氧烷基或(C1-C3)硫代氧烷基取代，并且可选地在间位被卤素取代，或者W是具有下列式W1和W2之一的基团，其中Q为O或S，X为CH或N；以及这类化合物的盐。
• [EN] TRIAZINE BASED RADIOPHARMACEUTICALS AND RADIOIMAGING AGENTS<br/>[FR] PRODUITS RADIOPHARMACEUTIQUES À BASE DE TRIAZINE ET AGENTS DE RADIO-IMAGERIE
  申请人：MOLECULAR INSIGHT PHARM INC

  公开号：WO2014110372A1

  公开（公告）日：2014-07-17

  Compounds according to Formula (I) and Formula (II) are potent inhibitors of PSMA. (I) or (II) Pharmaceutical compositions may include a complex of a radionuclide and a Formula (I) compound or a Formula (II) compound. Methods include using the radionuclide complex of a Formula (I) compound or a Formula (II) compound for treating or diagnosis of a disease or a condition associated with PSMA activity.

  根据公式（I）和公式（II），化合物是PSMA的强效抑制剂。 （I）或（II）药物组合物可以包括放射性核素和公式（I）化合物或公式（II）化合物的复合物。方法包括使用公式（I）化合物或公式（II）化合物的放射性核素复合物用于治疗或诊断与PSMA活性相关的疾病或状况。
• Antibacterial Oxadiazolone Derivatives
  申请人：ACTELION PHARMACEUTICALS LTD

  公开号：US20150353547A1

  公开（公告）日：2015-12-10

  The invention relates to antibacterial compounds of formula I wherein U represents CH or N; V represents CH or N, provided that at least one of U and V does not represent N; R represents H, halogen, methyl, methoxy, cyano or ethynyl; either W represents a phenyl group substituted in para position with (C 1 -C 3 )alkyl, (C 1 -C 3 )alkoxy or (C 1 -C 3 )thioalkoxy and optionally in meta position with halogen, or W is a group having one of the formulae W 1 and W 2 below wherein Q is O or S and X is CH or N; and salts of such compounds.

  本发明涉及式I的抗菌化合物，其中U代表CH或N;V代表CH或N，但至少一个U和V不代表N;R代表H，卤素，甲基，甲氧基，氰基或乙炔基;W要么表示在对位上用(C1-C3)烷基，(C1-C3)烷氧基或(C1-C3)硫代烷基取代的苯基，或者在间位上用卤素选择性地取代的基团，要么是具有下列式W1和W2之一的基团，其中Q为O或S，X为CH或N;以及这些化合物的盐。
• ANTIBACTERIAL OXADIAZOLONE DERIVATIVES
  申请人：Actelion Pharmaceuticals Ltd.

  公开号：EP2943492A1

  公开（公告）日：2015-11-18
• TRIAZINE BASED RADIOPHARMACEUTICALS AND RADIOIMAGING AGENTS
  申请人：Molecular Insight Pharmaceuticals

  公开号：EP2943227A1

  公开（公告）日：2015-11-18