기본 정보
- CAS
1312473-63-4- 표준 SMILES
COc1ccc(-c2ccn(CC[C@](C)(C(=O)NO)S(C)(=O)=O)c(=O)c2)c(F)c1- InChIKey
DNVUWHWBCMGQLU-GOSISDBHSA-N- 분자식
- C18H21FN2O6S
- 평균 분자량
- 412.4 g/mol
- 단동위원소 질량
- 412.11043561
이름 및 식별자
- 우선 이름
- PF-5081090
- IUPAC
- (2R)-4-[4-(2-fluoro-4-methoxyphenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
- 영어명
- PF5081090
- 분자식
- C18H21FN2O6S
- 분자량
- 412.43
이름 및 동의어
PF-5081090(2R)-4-[4-(2-fluoro-4-methoxyphenyl)-2-oxopyridin-1-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide(2R)-4-(4-(2-fluoro-4-methoxyphenyl)-2-oxopyridin-1-yl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamideRefChem:9289381312473-63-4PF 5081090(2R)-4-[4-(2-fluoro-4-methoxyphenyl)-2-oxopyridin-1(2H)-yl]-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamideCHEMBL2023402PF5081090LpxC-4(alphaR)-4-(2-Fluoro-4-Methoxyphenyl)-N-hydroxy-alpha-Methyl-alpha-(Methylsulfonyl)-2-oxo-1(2H)-pyridinebutanaMideDNVUWHWBCMGQLU-GOSISDBHSA-N
이름 더 보기
PF 05081090PF 05081090 - PF 5081090(αR)-4-(2-Fluoro-4-Methoxyphenyl)-N-hydroxy-α-Methyl-α-(Methylsulfonyl)-2-oxo-1(2H)-pyridinebutanaMide1(2H)-Pyridinebutanamide, 4-(2-fluoro-4-methoxyphenyl)-N-hydroxy-α-methyl-α-(methylsulfonyl)-2-oxo-, (αR)-(2R)-4-[4-(2-Fluoro-4-methoxyphenyl)-2-oxo-2H-pyridin-1-yl]-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide(R)-4-(4-(4-(2H-1,2,3-triazol-2-yl)phenyl)-2-oxopyridin-1(2H)-yl)-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide
8GJorb1692157SCHEMBL2019087SCHEMBL30132256DTXSID20719182GLXC-15782MCC47363BDBM50485076
데이터베이스 식별자
- CAS
1312473-63-4- PubChem CID
- 56964907
- DTXSID
DTXSID20719182- ChEMBL
CHEMBL2023402- Nikkaji
- J3.579.506E
물성
구조 계산 물성
- XLogP
- 0.5
- 극성 표면적
- 121 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 775
물리화학적 성질
- 녹는점
- 175 °C · >175°C (dec.)
- 밀도
- 1.378 · 1.378±0.06 g/cm3(Predicted)
- 저장 조건
- room temp
- 용해도
- 5 mg/mL · 에 용해됨 DMSO: >5mg/mL(가온)
- 산도 계수 (pKa)
- 8.11 · 8.11±0.50(Predicted)
- 물리적 상태
- 가루
- 색상
- 흰색에서 베이지색
화학적 성질
Pale Beige Solid
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- 3
화학 및 산업
응용 분야
용도PF-5081090 is a pyridone methylsulfone hydroxamate LpxC inhibitor. PF-5081090 is used as an antibiotic in the treatment of serious gram-negative infections.
공급사14 곳
苏州景皓生物科技有限公司18136139868; 18136139868 · [email protected]
上海昶衍化工科技有限公司021-20242659 18930833303 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
EMMX Biotechnology LLC888-539-0666 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
济南伟诚医药科技有限公司0531-68656072 15562569859 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
安徽今昱生物化工产品技术研发有限公司055167162561 13295518198 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
관련 반응
4건
화합물 노트
불러오는 중…