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기본 정보
- CAS
301692-76-2- 표준 SMILES
CC1(C)OC(c2ccc(S(N)(=O)=O)cc2)=C(c2cccc(F)c2)C1=O- InChIKey
IJWPAFMIFNSIGD-UHFFFAOYSA-N- 분자식
- C18H16FNO4S
- 평균 분자량
- 361.394 g/mol
- 단동위원소 질량
- 361.07840721
이름 및 식별자
- 우선 이름
- Polmacoxib
- 영어명
- 4-(3-(3-fluorophenyl)-5,5-dimethyl-4-oxo-4,5-dihydrofuran-2-yl)benzenesulfonamide
- 분자식
- C18H16FNO4S
- 분자량
- 361.39
이름 및 동의어
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
데이터베이스 식별자
- CAS
301692-76-2- PubChem CID
- 9841854
- DTXSID
DTXSID901029389- ChEMBL
CHEMBL166863- UNII
- IJ34D6YPAO
- Nikkaji
- J3.703.277H
물성
물리화학적 성질
- 녹는점
- 155 · 155-156 °C
- 끓는 점
- 527.7 · 527.7±60.0 °C(Predicted)
- 밀도
- 1.361 · 1.361±0.06 g/cm3(Predicted)
- 저장 조건
- -20 °C · Store at -20°C
- 용해도
- 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
- 물리적 상태
- 결정성 고체
- 산도 계수 (pKa)
- 10.21 · 10.21±0.10(Predicted)
- 색상
- 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
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- WGK 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
개요Polmacoxib, 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.
용도Polmacoxib is a nonsteroidal anti-inflammatory drug that inhibits both cyclooxygenase-2 (COX-2) and carbonic anhydrase enzymes.
공급사54 곳
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
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