기본 정보
- CAS
1204707-73-2- 표준 SMILES
C[C@H](Nc1cc(NS(=O)(=O)N2CCC2)nc(SCc2cccc(F)c2F)n1)[C@@H](O)CO- InChIKey
QVKPEMXUBULFBM-FZMZJTMJSA-N- 분자식
- C18H23F2N5O4S2
- 평균 분자량
- 475.5 g/mol
- 단동위원소 질량
- 475.1159529
이름 및 식별자
- 우선 이름
- N-[2-[(2,3-difluorophenyl)methylsulfanyl]-6-[[(2S,3R)-3,4-dihydroxybutan-2-yl]amino]pyrimidin-4-yl]azetidine-1-sulfonamide
- IUPAC
- N-[2-[(2,3-difluorophenyl)methylsulfanyl]-6-[[(2S,3R)-3,4-dihydroxybutan-2-yl]amino]pyrimidin-4-yl]azetidine-1-sulfonamide
- 영어명
- N-[2-[[(2,3-Difluorophenyl)methyl]thio]-6-[[(1S,2R)-2,3-dihydroxy-1-methylpropyl]amino]-4-pyrimidinyl]-1-azetidinesulfonamide
- 분자식
- C18H23F2N5O4S2
- 분자량
- 475.54
이름 및 동의어
SRT31901204707-73-2N-[2-[(2,3-difluorophenyl)methylsulfanyl]-6-[[(2S,3R)-3,4-dihydroxybutan-2-yl]amino]pyrimidin-4-yl]azetidine-1-sulfonamideN-[2-[[(2,3-Difluorophenyl)methyl]thio]-6-[[(1S,2R)-2,3-dihydroxy-1-methylpropyl]amino]-4-pyrimidinyl]-1-azetidinesulfonamideC18H23F2N5O4S2Thiopyrimidine-1QVKPEMXUBULFBM-FZMZJTMJSA-NCS-0265orb1706603SCHEMBL3171248CHEMBL4303160DTXSID30731113
이름 더 보기
SRT 3190SRT 3190SRT-3190N-(2-[(2,3-difluorobenzyl)thio]-6-{[(1S,2R)-2,3-dihydroxy-1-methylpropyl]amino}pyrimidin-4-yl)azetidine-1-sulfonamide1-Azetidinesulfonamide, N-[2-[[(2,3-difluorophenyl)methyl]thio]-6-[[(1S,2R)-2,3-dihydroxy-1-methylpropyl]amino]-4-pyrimidinyl]-
GLXC-10854SRT3190?EX-A10766SRT3190 (2S,3R)AKOS030526316HY-13021MS-28821G60967
물성
구조 계산 물성
- XLogP
- 2.1
- 극성 표면적
- 161 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 12
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 670
물리화학적 성질
- 끓는 점
- 726.6 · 726.6±70.0 °C(Predicted)
- 밀도
- 1.55 · 1.55
- 저장 조건
- -20 °C · Store at -20°C
- 용해도
- 47.6 mg/mL · ≥ 47.6 mg/mL in DMSO, ≥ 99.4 mg/mL in EtOH with ultrasonic
- 산도 계수 (pKa)
- 4.97 · 4.97±0.20(Predicted)
- 물리적 상태
- 가루
- 색상
- White to off-white
화학 및 산업
응용 분야
용도N-[2-[[(2,3-Difluorophenyl)methyl]thio]-6-[[(1S,2R)-2,3-dihydroxy-1-methylpropyl]amino]-4-pyrimidinyl]-1-azetidinesulfonamide is a potent and selective CXCR2 ligand. It is also a SIRT1 activator.
공급사23 곳
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
Aladdin Scientific[email protected]
InvivoChem中国13549236410 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
AN PharmaTech Co Ltd86(21)68097365 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
斯派螺（武汉）药物研发有限公司[email protected]
南通全益生物科技有限公司0513-66337626 18051384581 · [email protected]
广州市齐云生物技术有限公司020-61288194 61288195 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
成都华纯科技有限公司400-1166-196 15982826727 · [email protected]
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