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Merck
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SML2648

Sigma-Aldrich

Lomibuvir

≥98% (HPLC)

同義詞:

5-(3,3-Dimethyl-1-butyn-1-yl)-3-[(trans-4-hydroxycyclohexyl)[(trans-4-methylcyclohexyl)carbonyl]amino]-2-thiophenecarboxylic acid, 5-(3,3-Dimethyl-1-butynyl)-3-[(trans-4-hydroxycyclohexyl)[(trans-4-methylcyclohexyl)carbonyl]amino]thiophene-2-carboxylic acid, 5-(3,3-Dimethyl-but-1-ynyl)-3-[(trans-4-hydroxy-cyclohexyl)-(trans-4-methyl-cyclohexanecarbonyl)-amino]-thiophene-2-carboxylic acid, VCH 222, VCH-222, VCH222, VX 222, VX-222, VX222

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About This Item

經驗公式（希爾表示法）:
C25H35NO4S
CAS號碼:
1026785-55-6
分子量：:
445.61
MDL號碼:
MFCD24444577
分類程式碼代碼:
12352200
NACRES:
NA.77

化驗

≥98% (HPLC)

形狀

powder

顏色

white to beige

溶解度

DMSO: 2 mg/mL, clear

儲存溫度

−20°C

SMILES 字串

[s]1c(c(cc1C#CC(C)(C)C)N([C@@H]3CC[C@H](CC3)O)C(=O)[C@@H]2CC[C@H](CC2)C)C(=O)O

InChI

1S/C25H35NO4S/c1-16-5-7-17(8-6-16)23(28)26(18-9-11-19(27)12-10-18)21-15-20(13-14-25(2,3)4)31-22(21)24(29)30/h15-19,27H,5-12H2,1-4H3,(H,29,30)/t16-,17-,18-,19-

InChI 密鑰

WPMJNLCLKAKMLA-VVPTUSLJSA-N

生化／生理作用

Lomibuvir (VX-222; VCH-222) is a non-cytotoxic, orally active non-nucleoside inhibitor (NNI) against hepatitis C virus (HCV) NS5B RNA-dependent RNA polymerase (genotype 1a/1b IC50 = 0.94/1.2 μM). Lomibuvir exhibits HCV genotype-selective antiviral activity in vitro (genotype 1a//1b EC50 = 23.3 nM/12 nM; ineffective against 2a & 2b) and in vivo by targeting HCV NS5B thumb II allosteric pocket, exhibiting no inhibitory potency against human DNA polymerase (α, β, γ IC50 ≥56 μM), respiratory syncytial virus, Influenza A and B, and West Nile virus.
Non-cytotoxic, orally active hepatitis C virus (HCV) NS5B RNA polymerase inhibitor with HCV genotype 1a/1b-selective antiviral activity in vitro and in vivo.

儲存類別代碼

11 - Combustible Solids

水污染物質分類（WGK）

WGK 3

閃點（°F）

Not applicable

閃點（°C）

Not applicable

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分析證明 (COA)

Lot/Batch Number

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Eldar Abdurakhmanov et al.
Viruses, 9(6) (2017-06-18)
Allosteric inhibitors of hepatitis C virus (HCV) non-structural protein 5B (NS5B) polymerase are effective for treatment of genotype 1, although their mode of action and potential to inhibit other isolates and genotypes are not well established. We have used biophysical
Adrian M Di Bisceglie et al.
European journal of gastroenterology & hepatology, 26(7), 761-773 (2014-06-06)
To investigate in this phase 2a study (ZENITH) the safety, tolerability, and antiviral activity of VX-222, a selective, non-nucleoside inhibitor of hepatitis C virus (HCV) NS5B polymerase, combined with various telaprevir-based regimens for treatment of genotype 1 HCV. In total
Johan Winquist et al.
Antiviral research, 97(3), 356-368 (2013-01-12)
Development of allosteric inhibitors into efficient drugs is hampered by their indirect mode-of-action and complex structure-kinetic relationships. To enable the design of efficient allosteric drugs targeting the polymerase of hepatitis C virus (NS5B), the interaction characteristics of three non-nucleoside compounds
Jiawen Li et al.
The Journal of biological chemistry, 291(19), 10067-10077 (2016-02-07)
Replication of the hepatitis C viral genome is catalyzed by the NS5B (nonstructural protein 5B) RNA-dependent RNA polymerase, which is a major target of antiviral drugs currently in the clinic. Prior studies established that initiation of RNA replication could be
Daryl Humes et al.
Virology, 522, 177-192 (2018-07-23)
The six major epidemiologically important hepatitis C virus (HCV) genotypes differ in global distribution and antiviral responses. Full-length infectious cell-culture adapted clones, the gold standard for HCV studies in vitro, are missing for genotypes 4 and 5. To address this
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