기본 정보
- CAS
954389-09-4- 표준 SMILES
O=C(NCc1ccc(OC(F)(F)F)c(F)c1)[C@H]1CN(c2nc3nc(C4CC4)ncc3s2)CCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1- InChIKey
JQLOVYLALGSISI-HXUWFJFHSA-N- 분자식
- C28H23F7N6O4S2
- 평균 분자량
- 704.6 g/mol
- 단동위원소 질량
- 704.11104276
개요
JTK-853 has been used in trials studying the treatment of Hepatitis C Virus Infection, Response to Therapy of.
이름 및 식별자
- 우선 이름
- Jtk-853
- IUPAC
- (2R)-4-(5-cyclopropyl-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)-N-[[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-1-[4-(trifluoromethyl)phenyl]sulfonylpiperazine-2-carboxamide
- 영어명
- JTK-853
- 분자식
- C28H23F7N6O4S2
- 분자량
- 704.64
이름 및 동의어
JTK-853954389-09-4WDX8QQD13B2-Piperazinecarboxamide, 4-(5-cyclopropylthiazolo(4,5-d)pyrimidin-2-yl)-n-((3-fluoro-4-(trifluoromethoxy)phenyl)methyl)-1-((4-(trifluoromethyl)phenyl)sulfonyl)-, (2R)-DTXSID60241836RefChem:150586DTXCID90164327(2R)-4-(5-cyclopropyl-(1,3)thiazolo(4,5-d)pyrimidin-2-yl)-N-((3-fluoro-4-(trifluoromethoxy)phenyl)methyl)-1-(4-(trifluoromethyl)benzenesulfonyl)piperazine-2-carboxamideUNII-WDX8QQD13BJTK 853(2R)-4-(5-cyclopropyl-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)-N-[[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-1-[4-(trifluoromethyl)phenyl]sulfonylpiperazine-2-carboxamide(2r)-4-(5-Cyclopropyl[1,3]thiazolo[4,5-D]pyrimidin-2-Yl)-N-[3-Fluoro-4-(Trifluoromethoxy)benzyl]-1-{[4-(Trifluoromethyl)phenyl]sulfonyl}piperazine-2-Carboxamide
이름 더 보기
JTK853,JTK 8532-Piperazinecarboxamide, 4-(5-cyclopropylthiazolo[4,5-d]pyrimidin-2-yl)-N-[[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-1-[[4-(trifluoromethyl)phenyl]sulfonyl]-, (2R)-
3vqsorb1707152SCHEMBL2440999CHEMBL4297295SCHEMBL30518874GLXC-23345AKOS040741902DB13095
데이터베이스 식별자
- CAS
954389-09-4- PubChem CID
- 57519700
- DTXSID
DTXSID60241836- ChEMBL
CHEMBL4297295- UNII
- WDX8QQD13B
- Nikkaji
- J3.095.677J
물성
구조 계산 물성
- XLogP
- 5.7
- 극성 표면적
- 154 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 17
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 47
- 형식 전하
- 0
- 복잡도
- 1,220
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
물리화학적 성질
- 밀도
- 1.565 · 1.565±0.06 g/cm3(Predicted)
- 저장 조건
- -20 °C · Store at -20°C
- 용해도
- DMSO에 용해됨
- 산도 계수 (pKa)
- 13.03 · 13.03±0.20(Predicted)
화학 및 산업
응용 분야
용도JTK-853, is a novel, non-nucleoside Hepatitis C Virus (HCV) polymerase inhibitor which shows effective antiviral activity in HCV replicon cells.
공급사4 곳
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
范德(北京)生物科技有限责任公司15911056312 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
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