基本情報
- CAS
208848-19-5- 標準SMILES
CC(C)C(NC(=O)Cn1c(-c2ccccc2)ncc(N)c1=O)C(=O)c1nnc(C(C)(C)C)o1- InChIKey
YSIHYROEMJSOAS-UHFFFAOYSA-N- 分子式
- C23H28N6O4
- 平均分子量
- 452.5 g/mol
- 単同位体質量
- 452.2172034
名称と識別子
- 優先名称
- Freselestat
- IUPAC
- 2-(5-amino-6-oxo-2-phenylpyrimidin-1-yl)-N-[1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxobutan-2-yl]acetamide
- 英語名
- FRESELESTAT
- 分子式
- C23H28N6O4
- 分子量
- 452.51
名称と別名
Freselestat208848-19-5ono-6818Freselestat [INN]1CW4RL23VPUNII-1CW4RL23VPONO-PO 7361(6H)-Pyrimidineacetamide, 5-amino-N-[1-[[5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2-yl]carbonyl]-2-methylpropyl]-6-oxo-2-phenyl-2-(5-Amino-6-oxo-2-phenylpyrimidin-1(6H)-yl)-N-((1RS)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxobutan-2-yl)acetamide1(6H)-Pyrimidineacetamide, 5-amino-N-(1-((5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2-yl)carbonyl)-2-methylpropyl)-6-oxo-2-phenyl-freselestatum2-(5-amino-6-oxo-2-phenyl-1,6-dihydropyrimidin-1-yl)-N-((1R,2R)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1-hydroxy-3-methylbutan-2-yl)acetamide
名称をさらに表示
ONO6818FreselesatONO-PO-736Freselestat (ONO-6818)1(6H)-PyriMidineacetaMide,5-aMino-N-[1-[[5-(1,1-diMethylethyl)-1,3,4-oxadiazol-2-yl]carbonyl]-2-Methylpropyl]-6-oxo-2-phenyl-
2-(5-amino-6-oxo-2-phenyl-1,6-dihydropyrimidin-1-yl)-N-[(1R,2R)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1-hydroxy-3-methylbutan-2-yl]acetamideRefChem:141534Ono 68182-(5-amino-6-oxo-2-phenylpyrimidin-1-yl)-N-[1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxobutan-2-yl]acetamideCHEMBL258925-Amino-N-[1-[[5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2-yl]carbonyl]-2-methylpropyl]-6-oxo-2-phenyl-1(6H)-pyrimidineacetamideONO-6818;ONO-PO-736;ONO6818;ONO 68185-Amino-N-[1-[[5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2-yl]carbonyl]-2-methylpropyl]-6-oxo-2-phenyl-1(6H)-pyrimidineacetamide; ONO 6818; ONO-PO 736
データベース識別子
- CAS
208848-19-5- PubChem CID
- 216294
- DTXSID
DTXSID50943150- ChEMBL
CHEMBL25892- UNII
- 1CW4RL23VP
- Nikkaji
- J1.647.741I
物性
構造計算による物性
- XLogP
- 2.6
- 極性表面積
- 144 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 8
- 回転可能結合数
- 8
- 重原子数
- 33
- 形式電荷
- 0
- 複雑度
- 825
物理化学的性質
- 融点
- 151 · 151-153oC
- 比重(密度)
- 1.32 · 1.32±0.1 g/cm3(Predicted)
- 貯蔵温度
- -20 °C · -20°C Freezer
- 溶解性
- DMSO（微量）、メタノール（微量）
- 酸解離定数(Pka)
- 12.43 · 12.43±0.46(Predicted)
- 外見
- 個体
- 色
- オフホワイトからペールイエロー
化学と産業
薬理情報
Mechanism of Action
ONO-6818 inhibits neutrophil elastase activity, reducing interleukin 8 production and the formation of the complement membrane attack complex. Consequently, neutrophil elastase levels are reduced during stimulated extracorporeal circulation.
応用分野
使用Freselestat is a highly potent nonpeptidic orally active inhibitor of human neutrophil elastase (HNE) and can be used as treatment for neutrophil-predominant inflammatory lung diseases.
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化合物ノート
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