1071517-39-9|Setrobuvir|N-(3-((1R,2S,7R,8S)-3-((4-fluorophenyl)methyl)-6-hydroxy-4-oxo-3-azatricyclo (6.2.1.02,7)undec-5-en-5-yl)-1,1-dioxo-1,4-dihydro-1lambda6,2,4-benzothiadiazin-7- yl)methanesulfonamide|-范德生物科技公司

Setrobuvir

NMR下载 COA and HPLC MSDS下载
names：
N-(3-((1R,2S,7R,8S)-3-((4-fluorophenyl)methyl)-6-hydroxy-4-oxo-3-azatricyclo (6.2.1.02,7)undec-5-en-5-yl)-1,1-dioxo-1,4-dihydro-1lambda6,2,4-benzothiadiazin-7- yl)methanesulfonamide
CAS号：
1071517-39-9
MDL Number：
MF(分子式)： C25H25FN4O6S2 MW(分子量)： 560.6154
EINECS: Reaxys Number:
Pubchem ID: Brand:BIOFOUNT

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中文别名	N-(3-((1R,2S,7R,8S)-3-((4-fluorophenyl)methyl)-6-hydroxy-4-oxo-3-azatricyclo (6.2.1.02,7)undec-5-en-5-yl)-1,1-dioxo-1,4-dihydro-1lambda6,2,4-benzothiadiazin-7- yl)methanesulfonamide
英文别名	Setrobuvir; ANA-598; RG-7790; ANA598; RG7790; RO-5466731; RO5466731; RO 5466731.
CAS号	1071517-39-9
SMILES	CS(=O)(NC1=CC=C(C2=C1)NC(C3=C(O)[C@]4([H])[C@@]5([H])CC[C@@](C5)([H])[C@]4([H])N(CC6=CC=C(F)C=C6)C3=O)=NS2(=O)=O)=O
Inchi	InChI=1S/C25H25FN4O6S2/c1-37(33,34)28-17-8-9-18-19(11-17)38(35,36)29-24(27-18)21-23(31)20-14-4-5-15(10-14)22(20)30(25(21)32)12-13-2-6-16(26)7-3-13/h2-3,6-9,11,14-15,20,22,28,31H,4-5,10,12H2,1H3,(H,27,29)/t14-,15+,20+,22-/m0/s1
InchiKey	DEKOYVOWOVJMPM-RLHIPHHXSA-N
分子式 Formula	C25H25FN4O6S2
分子量 Molecular Weight	560.6154
闪点 FP
熔点 Melting point
沸点 Boiling point
Polarizability极化度
密度 Density
蒸汽压 Vapor Pressure
溶解度Solubility
性状	Solid powder
储藏条件 Storage conditions	Dry, dark and store at 0-4℃ for short term (days to weeks) or -20℃ for long term (Store correctly 2-3years).

产品说明	Setrobuvir(CAS:1071517-39-9):仅限应用于工业或者科学研究过程中非医疗目的，不应用于人类或动物的临床诊断以及治过程疗，该产品非药用，非食用。
Introduction	Setrobuvir, also known as ANA-598, RO-5466731 and RG-7790, is a HCV NS5B polymerase inhibitor potentially for treatment of HCV infection.
Application1
Application2
Application3

警示图
危险性	Warning
危险性警示
安全声明
安全防护
备注

[1]Jensen DM, Brunda M, Elston R, Gane EJ, George J, Glavini K, Hammond JM, Le Pogam S, Nájera I, Passe S, Piekarska A, Rodriguez I, Zeuzem S, Chu T; ANNAPURNA study investigators.. Interferon-free regimens containing setrobuvir for patients with genotype 1 chronic hepatitis C: a randomized, multicenter study. Liver Int. 2016 Apr;36(4):505-14. doi: 10.1111/liv.12997. PubMed PMID: 26519669.

[2]Mallalieu NL, Rahimy MH, Crowley CA, Appleman JR, Smith PF, Freddo JL. Pharmacokinetics and pharmacodynamics of setrobuvir, an orally administered hepatitis C virus non-nucleoside analogue inhibitor. Clin Ther. 2014 Dec 1;36(12):2047-2063.e3. doi: 10.1016/j.clinthera.2014.10.002. PubMed PMID: 25456558.

[3] Eltahla AA, Tay E, Douglas MW, White PA. Cross-genotypic examination of hepatitis C virus polymerase inhibitors reveals a novel mechanism of action for thumb binders. Antimicrob Agents Chemother. 2014 Dec;58(12):7215-24. doi: 10.1128/AAC.03699-14. PubMed PMID: 25246395; PubMed Central PMCID: PMC4249545.

[4] De Clercq E. Current race in the development of DAAs (direct-acting antivirals) against HCV. Biochem Pharmacol. 2014 Jun 15;89(4):441-52. doi: 10.1016/j.bcp.2014.04.005. PubMed PMID: 24735613.

[5] Xue W, Jiao P, Liu H, Yao X. Molecular modeling and residue interaction network studies on the mechanism of binding and resistance of the HCV NS5B polymerase mutants to VX-222 and ANA598. Antiviral Res. 2014 Apr;10

4:40-51. doi: 10.1016/j.antiviral.2014.01.006. PubMed PMID: 24462692.

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