(2'R)-2'-Deoxy-3'-O-[(1,1-dimethylethyl)dimethylsilyl]-2'-fluoro-2'-methyl-uridine
데이터를 보충하는 중입니다. 잠시 후 페이지를 새로 고치면 최신 내용을 볼 수 있습니다
기본 정보
- CAS
1244762-86-4- 표준 SMILES
CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](n2ccc(=O)[nH]c2=O)[C@]1(C)F- InChIKey
NUCGHVYSFCRLGS-XNIJJKJLSA-N- 분자식
- C16H27FN2O5Si
- 평균 분자량
- 374.48 g/mol
이름 및 식별자
- 우선 이름
- (2'R)-2'-Deoxy-3'-O-[(1,1-dimethylethyl)dimethylsilyl]-2'-fluoro-2'-methyl-uridine
- IUPAC
- 1-[(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione
- 영어명
- (2''R)-2''-Deoxy-3''-O-[(1,1-dimethylethyl)dimethylsilyl]-2''-fluoro-2''-methyl-uridine
- 분자식
- C16H27FN2O5Si
- 분자량
- 374.48
이름 및 동의어
(2'R)-2'-Deoxy-3'-O-[(1,1-dimethylethyl)dimethylsilyl]-2'-fluoro-2'-methyl-uridine1244762-86-4SCHEMBL860462NUCGHVYSFCRLGS-XNIJJKJLSA-N1-[(2R,3R,4R,5R)-4-(tert-butyldimethylsilanyloxy)-3-fluoro-5-hydroxymethyl-3-methyl-tetrahydro-furan-2-yl]-1H-pyrimidine-2,4-dione-methyl-uridineUridine, 2'-deoxy-3'-O-[(1,1-dimethylethyl)dimethylsilyl]-2'-fluoro-2'-methyl-, (2'R)-(2''R)-2''-Deoxy-3''-O-[(1,1-dimethylethyl)dimethylsilyl]-2''-fluoro-2''-methyl-uridine
데이터베이스 식별자
- CAS
1244762-86-4- Nikkaji
- J3.106.951C
물성
구조 계산 물성보충 중
- 극성 표면적
- 88.1 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 592
물리화학적 성질
- 녹는점
- 230 · 230-232°C
- 밀도
- 1.21 · 1.21±0.1 g/cm3(Predicted)
- 저장 조건
- -20 °C · -20°C Freezer
- 용해도
- DMSO(약간 용해됨), 메탄올(약간 용해됨)
- 산도 계수 (pKa)
- 9.39 · 9.39±0.10(Predicted)
- 물리적 상태
- 고체
- 색상
- 하얀색
화학 및 산업
응용 분야
용도(2''R)-2''-Deoxy-3''-O-[(1,1-dimethylethyl)dimethylsilyl]-2''-fluoro-2''-methyl-uridine is an intermediate in the synthesis of Sofosbuvir (R)-Phosphate (S675615), which is an impurity of PSI-7977 (P839640), a prodrug that is metabolized to the active antiviral agent 2''-deoxy-2''-α-fluoro-β-C-methyluridine-5''-monophosphate and is currently being investigated in phase 3 clinical trials for the treatment of hepatitis C. Studies have profiled PSI-7977 as a nucleotide inhibitor of hepatitis C virus, exerting selective inhibitory effects towards HCV NS5B polymerase.
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…