WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 556084
CAS#: 2647442-33-7,
Description: VV116, also known as JT001, is an oral drug candidate of nucleoside analog against SARS-CoV-2. VV116 is a deuterated, tri-isobutyrate ester prodrug of the RDV parent nucleoside, and is rapidly metabolized into the parent nucleoside (116-N1) in the body. 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 (Fig. 1). 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.
MedKoo Cat#: 556084
Name: VV116
CAS#: 2647442-33-7,
Chemical Formula: C24H30DN5O7
Exact Mass: 502.2286
Molecular Weight: 502.5461
Elemental Analysis: C, 57.36; H, 6.42; N, 13.94; O, 22.29
Related CAS #: 2647442-13-3 (non-label) 2647442-33-7
Synonym: VV116; VV 116; VV-116; JT001; JT-001; JT 001;
IUPAC/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)
InChi Key: RVSSLHFYCSUAHY-QXMJNOOVSA-N
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
SMILES Code: 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
Appearance: Solid powder
Purity: >98% (or refer to the Certificate of Analysis)
Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility: To be determined
Shelf Life: >2 years if stored properly
Drug Formulation: To be determined
Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code: 2934.99.9001
The following data is based on the product molecular weight 502.5461 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.
| Concentration / Solvent Volume / Mass | 1 mg | 5 mg | 10 mg |
|---|---|---|---|
| 1 mM | 1.15 mL | 5.76 mL | 11.51 mL |
| 5 mM | 0.23 mL | 1.15 mL | 2.3 mL |
| 10 mM | 0.12 mL | 0.58 mL | 1.15 mL |
| 50 mM | 0.02 mL | 0.12 mL | 0.23 mL |
1: Shen Y, Ai J, Lin N, Zhang H, Li Y, Wang H, Wang S, Wang Z, Li T, Sun F, Fan Z, Li L, Lu Y, Meng X, Xiao H, Hu H, Ling Y, Li F, Li H, Xi C, Gu L, Zhang W, Fan X. An Open, Prospective Cohort Study of VV116 in Chinese Participants Infected with SARS-CoV-2 Omicron Variants. Emerg Microbes Infect. 2022 May 17:1-22. doi: 10.1080/22221751.2022.2078230. Epub ahead of print. PMID: 35579892.
2: Zhang R, Zhang Y, Zheng W, Shang W, Wu Y, Li N, Xiong J, Jiang H, Shen J, Xiao G, Xie Y, Zhang L. Oral remdesivir derivative VV116 is a potent inhibitor of respiratory syncytial virus with efficacy in mouse model. Signal Transduct Target Ther. 2022 Apr 16;7(1):123. doi: 10.1038/s41392-022-00963-7. PMID: 35429988; PMCID: PMC9012943.
3: Qian HJ, Wang Y, Zhang MQ, Xie YC, Wu QQ, Liang LY, Cao Y, Duan HQ, Tian GH, Ma J, Zhang ZB, Li N, Jia JY, Zhang J, Aisa HA, Shen JS, Yu C, Jiang HL, Zhang WH, Wang Z, Liu GY. Safety, tolerability, and pharmacokinetics of VV116, an oral nucleoside analog against SARS-CoV-2, in Chinese healthy subjects. Acta Pharmacol Sin. 2022 Mar 16:1–9. doi: 10.1038/s41401-022-00895-6. Epub ahead of print. PMID: 35296780; PMCID: PMC8924727.
4: Wu CR, Yin WC, Jiang Y, Xu HE. Structure genomics of SARS-CoV-2 and its Omicron variant: drug design templates for COVID-19. Acta Pharmacol Sin. 2022 Jan 20:1–13. doi: 10.1038/s41401-021-00851-w. Epub ahead of print. PMID: 35058587; PMCID: PMC8771608.
5: Xie Y, Yin W, Zhang Y, Shang W, Wang Z, Luan X, Tian G, Aisa HA, Xu Y, Xiao G, Li J, Jiang H, Zhang S, Zhang L, Xu HE, Shen J. Design and development of an oral remdesivir derivative VV116 against SARS-CoV-2. Cell Res. 2021 Nov;31(11):1212-1214. doi: 10.1038/s41422-021-00570-1. Epub 2021 Sep 28. PMID: 34584244; PMCID: PMC8477624.
