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5mg |
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10mg |
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25mg |
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50mg |
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100mg |
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Other Sizes |
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NVR 3-778 is a first-in-class, potent and oral bioavailable capsid assembly modulator against the hepatitis B virus [HBV CAM]. It belongs to the SBA (sulfamoylbenzamide) class, with anti-HBV activity.
ln Vitro |
Viral replication is inhibited by NVR 3-778, which targets the HBV core protein [1]. NVR 3-778 has an average antiviral effect EC50 of 0.40 µM in HepG2.2.15 cells, which means that it can prevent the generation of viral particles containing infectious HBV DNA [1]. Nucleos(t)ide inhibitors of HBV replication do not cause cross-resistance when used with NVR 3-778, which demonstrates genotype-wide antiviral efficacy [1]. NVR 3-778 prevents the generation of particles containing HBV DNA and HBV RNA, viral replication, and pregenomic RNA encapsidation [1]. With an EC50 of 0.81 µM against HBV DNA and 3.7 to 4.8 µM against HBV antigen and intracellular HBV RNA, NVR 3-778 also prevents de novo infection and viral replication in primary human hepatocytes [1]. When 10%, 20%, and 40% human serum were present, the EC50 values of NVR 3-778 rose by 4.5, 9.3, and 15.8 times, respectively [1].
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ln Vivo |
Following oral delivery to dogs, NVR 3-778 (1.5 mg/kg; ig) demonstrated mean Cmax and AUC0–inf values of 0.56 µg/ml and 3.50 µg·h/ml, respectively. It was found that the average oral bioavailability was 84.6% [1].
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Animal Protocol |
Animal/Disease Models: Dog [1]
Doses: 1.5 mg/kg (pharmacokinetic/PK/PK analysis) Route of Administration: po (oral gavage) Experimental Results: Mean Cmax and AUC0–inf values were 0.56 µg/ml and 3.50 µg·h/ml, oral Bioavailability is 84.6%. |
References |
[1]. Lam AM, et al. Preclinical Characterization of NVR 3-778, a First-in-Class Capsid Assembly Modulator against Hepatitis B Virus. Antimicrob Agents Chemother. 2018 Dec 21;63(1).
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Molecular Formula |
C18H16F4N2O4S
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Molecular Weight |
432.38925743103
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Exact Mass |
432.08
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Elemental Analysis |
C, 50.00; H, 3.73; F, 17.58; N, 6.48; O, 14.80; S, 7.41
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CAS # |
1445790-55-5
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Related CAS # |
2093094-04-1 (hydrate);1445790-55-5 (free);
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Appearance |
Solid powder
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SMILES |
O=C(NC1=CC(F)=C(F)C(F)=C1)C2=CC=C(F)C(S(=O)(N3CCC(O)CC3)=O)=C2
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InChi Key |
KKMFSVNFPUPGCA-UHFFFAOYSA-N
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InChi Code |
InChI=1S/C18H16F4N2O4S/c19-13-2-1-10(18(26)23-11-8-14(20)17(22)15(21)9-11)7-16(13)29(27,28)24-5-3-12(25)4-6-24/h1-2,7-9,12,25H,3-6H2,(H,23,26)
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Chemical Name |
4-Fluoro-3-((4-hydroxypiperidin-1-yl)sulfonyl)-N-(3,4,5-trifluorophenyl)benzamide
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Synonyms |
NVR 3 778; NVR3 778; NVR-3-778; K-89; K 89; K89; NVR3778; NVR 3778; NVR-3778
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HS Tariff Code |
2934.99.9001
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Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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Solubility (In Vitro) |
DMSO : 98 ~250 mg/mL (226.64 ~578.18 mM)
Ethanol : ~98 mg/mL |
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Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (4.81 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: 2.08 mg/mL (4.81 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C,1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. View More
Solubility in Formulation 3: ≥ 2.08 mg/mL (4.81 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. Solubility in Formulation 4: 10% DMSO+40% PEG300+5% Tween-80+45% Saline: ≥ 2.08 mg/mL (4.81 mM) |
Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
1 mM | 2.3127 mL | 11.5636 mL | 23.1273 mL | |
5 mM | 0.4625 mL | 2.3127 mL | 4.6255 mL | |
10 mM | 0.2313 mL | 1.1564 mL | 2.3127 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration: mg/mL;
Method for preparing DMSO stock solution: mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation::Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O,mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.