ポルマコキシブ
Polmacoxib
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基本情報
- CAS
301692-76-2- 標準SMILES
CC1(C)OC(c2ccc(S(N)(=O)=O)cc2)=C(c2cccc(F)c2)C1=O- InChIKey
IJWPAFMIFNSIGD-UHFFFAOYSA-N- 分子式
- C18H16FNO4S
- 平均分子量
- 361.394 g/mol
- 単同位体質量
- 361.07840721
名称と識別子
- 優先名称
- Polmacoxib
- 現地名
- ポルマコキシブ
- 英語名
- 4-(3-(3-fluorophenyl)-5,5-dimethyl-4-oxo-4,5-dihydrofuran-2-yl)benzenesulfonamide
- 分子式
- C18H16FNO4S
- 分子量
- 361.39
名称と別名
ポルマコキシブPolmacoxibCG-100649Polmacoxib, 10 mM in DMSOCalcium acetate Impurity 35-{4-(aminosulfonyl)phenyl}-2,2-dimethyl-4-(3-fluorophenyl)-3(2H)-furanone4-(3-(3-fluorophenyl)-5,5-dimethyl-4-oxo-4,5-dihydrofuran-2-yl)benzenesulfonamide4-[3-(3-fluorophenyl)-4,5-dihydro-5,5-dimethyl-4-oxo-2-furanyl]-benzenesulfonamideBenzenesulfonamide, 4-[3-(3-fluorophenyl)-4,5-dihydro-5,5-dimethyl-4-oxo-2-furanyl]-4-[3-(3-fluorophenyl)-5,5-diMethyl-4-oxo-4,5-dihydrofuran-2-yl]benzene-1-sulfonaMideNSAID,inflammatory,Carbonic Anhydrase,Polmacoxib,polyp,colorectal,adenoma,tumor,Inhibitor,COX,Cyclooxygenase,inhibit,Carbonate dehydratase,orthotopic
データベース識別子
- CAS
301692-76-2- PubChem CID
- 9841854
- DTXSID
DTXSID901029389- ChEMBL
CHEMBL166863- UNII
- IJ34D6YPAO
- Nikkaji
- J3.703.277H
物性
物理化学的性質
- 融点
- 155 · 155-156 °C
- 沸点
- 527.7 · 527.7±60.0 °C(Predicted)
- 比重(密度)
- 1.361 · 1.361±0.06 g/cm3(Predicted)
- 貯蔵温度
- -20 °C · Store at -20°C
- 溶解性
- 20 mg/ml; · DMF: 20 mg/ml; DMSO: 20 mg/ml; DMSO:PBS (pH 7.2)(1:8): 0.5 mg/ml; Ethanol: 5 mg/ml
- 外見
- A crystalline solid
- 酸解離定数(Pka)
- 10.21 · 10.21±0.10(Predicted)
- 色
- Light yellow to green yellow
- InChI
- InChI=1S/C18H16FNO4S/c1-18(2)17(21)15(12-4-3-5-13(19)10-12)16(24-18)11-6-8-14(9-7-11)25(20,22)23/h3-10H,1-2H3,(H2,20,22,23)
- InChIKey
- IJWPAFMIFNSIGD-UHFFFAOYSA-N
- SMILES
- C1(S(N)(=O)=O)=CC=C(C2=C(C3=CC=CC(F)=C3)C(=O)C(C)(C)O2)C=C1
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
安全データ
- wgk
- WGK 3
- ストレージクラス
- 11 - Combustible Solids
化学と産業
応用分野
説明Polmacoxib, also known as (CG-100649), is a first-in-class NSAID which is a dual inhibitor of COX-2 and carbonic anhydrase (CA). The drug, which was approved in South Korea for the treatment of colorectal cancer (CRC) in 2015 and whose discovery has been described by workers at AmorePacific R&D, interacts with CA in red blood cells, providing a novel “tissue-specific” transport mechanism that is designed to deliver sustained levels of drug to inflamed tissues while maintaining low systemic exposure. Although the unique dual COX-2/CA inhibition is designed to provide potentially superior safety to cardiovascular, renal, and gastrointestinal tissues compared to traditional NSAIDs or COX-2 inhibitor drugs, the long-term safety profile of the drug, particularly cardiovascular risks notoriously associated with inhibition of COX-2, has yet to be determined, and the drug is currently not approved for use in any other country outside of South Korea.
使用Polmacoxib is a nonsteroidal anti-inflammatory drug that inhibits both cyclooxygenase-2 (COX-2) and carbonic anhydrase enzymes.
関連反応
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化合物ノート
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