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5mg |
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10mg |
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25mg |
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50mg |
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VV-116 (also known as VV116, JT-001) is a novel, potent and orally administered anti-SARS-CoV-2 nucleoside drug candidate (IC50 = 0.67±0.24 μM) acting as a viral RNA-dependent RNA polymerase (RdRp) inhibitor and is under investigation for COVID-19 treatment in China. As of Jun 27th 2022, the developer of this drug (Junshi Biosciences and Vigonvita) has submitted an NDA to China FDA. VV-116 is essentially an analog of remdesivir or GS-441524, as it has to be converted to the mono-deuterated form of GS-441524 in vivo, followed by a triphosphorylation to form the active metabolite which is the same as that of remdesivir except for the deuterium atom at the 5-position of triazine-pyrrole fused ring system. As a mono-deuterated, tri-isobutyrate ester prodrug of the RDV parent nucleoside, VV116 is rapidly metabolized into the parent nucleoside (116-N1) in vivo. 116-N1 is intracellularly converted to the nucleoside triphosphate active form, which would interfere with the function of RNA-dependent RNA polymerase of SARS-CoV-2, thus exerting antiviral effects. VV116 showed potent activity against a panel of SARS-CoV-2 variants (alpha, beta, delta, and omicron) and excellent therapeutic efficacy in the mice model. This prodrug was endowed with significantly improved oral absorption and a favorable tissue distribution profile, circumventing the liver-targeting issue of the phosphoramidate prodrugs.
ln Vitro |
Incorporated into drug molecules are stable heavy isotopes of hydrogen, carbon, and other elements, primarily used as tracers for quantitation during the drug development process. Due to its potential to alter the pharmacokinetic and metabolic profiles of medications, deuteration has drawn attention[1].
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References |
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Molecular Formula |
C24H30DN5O7
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Molecular Weight |
502.5461
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Exact Mass |
502.2286
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Elemental Analysis |
C, 57.36; H, 6.42; N, 13.94; O, 22.29
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CAS # |
2647442-33-7
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Related CAS # |
GS-621763;2647442-13-3
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Appearance |
Solid powder
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SMILES |
CC(C(OC[C@H]1O[C@](C#N)([C@@H]([C@@H]1OC(C(C)C)=O)OC(C(C)C)=O)C2=CC([2H])=C3N2N=CN=C3N)=O)C
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InChi Key |
RVSSLHFYCSUAHY-QXMJNOOVSA-N
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InChi Code |
InChI=1S/C24H31N5O7/c1-12(2)21(30)33-9-16-18(34-22(31)13(3)4)19(35-23(32)14(5)6)24(10-25,36-16)17-8-7-15-20(26)27-11-28-29(15)17/h7-8,11-14,16,18-19H,9H2,1-6H3,(H2,26,27,28)/t16-,18-,19-,24+/m1/s1/i7D
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Chemical Name |
(2R,3R,4R,5R)-2-(4-amino-5-deuteropyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-cyano-5-((isobutyryloxy)methyl)tetrahydrofuran-3,4-diyl bis(2-methylpropanoate)
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Synonyms |
VV116; VV 116; VV-116; JT001; JT-001; JT 001;
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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 : ~100 mg/mL ( ~198.98 mM )
Ethanol : ~100 mg/mL
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Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80: Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 :Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400  (Please use freshly prepared in vivo formulations for optimal results.) |
Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
1 mM | 1.9899 mL | 9.9493 mL | 19.8985 mL | |
5 mM | 0.3980 mL | 1.9899 mL | 3.9797 mL | |
10 mM | 0.1990 mL | 0.9949 mL | 1.9899 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.