WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 565269
CAS#: 1445790-55-5 (free)
Description: NVR 3-778 is the first capsid assembly modulator (CAM) that has demonstrated antiviral activity in hepatitis B virus (HBV)-infected patients. NVR 3-778 inhibited the generation of infectious HBV DNA-containing virus particles with a mean antiviral 50% effective concentration (EC50) of 0.40 µM in HepG2.2.15 cells. The antiviral profile of NVR 3-778 indicates pan-genotypic antiviral activity and a lack of cross-resistance with nucleos(t)ide inhibitors of HBV replication.
MedKoo Cat#: 565269
Name: NVR 3-778
CAS#: 1445790-55-5 (free)
Chemical Formula: C18H16F4N2O4S
Exact Mass: 432.0767
Molecular Weight: 432.39
Elemental Analysis: C, 50.00; H, 3.73; F, 17.58; N, 6.48; O, 14.80; S, 7.41
Related CAS #: 2093094-04-1 (hydrate) 1445790-55-5 (free)
Synonym: NVR 3 778; NVR3 778; NVR-3-778; K-89; K 89; K89; NVR3778; NVR 3778; NVR-3778;
IUPAC/Chemical Name: 4-Fluoro-3-((4-hydroxypiperidin-1-yl)sulfonyl)-N-(3,4,5-trifluorophenyl)benzamide
InChi Key: KKMFSVNFPUPGCA-UHFFFAOYSA-N
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)
SMILES Code: O=C(NC1=CC(F)=C(F)C(F)=C1)C2=CC=C(F)C(S(=O)(N3CCC(O)CC3)=O)=C2
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: Soluble in DMSO
Shelf Life: >3 years if stored properly
Drug Formulation: This drug may be formulated in DMSO
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 432.39 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: Park ES, Lee AR, Kim DH, Lee JH, Yoo JJ, Ahn SH, Sim H, Park S, Kang HS, Won J, Ha YN, Shin GC, Kwon SY, Park YK, Choi BS, Lee YB, Jeong N, An Y, Ju YS, Yu SJ, Chae HB, Yu KS, Kim YJ, Yoon JH, Zoulim F, Kim KH. Identification of a quadruple mutation that confers tenofovir resistance in chronic hepatitis B patients. J Hepatol. 2019 Feb 20. pii: S0168-8278(19)30120-5. doi: 10.1016/j.jhep.2019.02.006. [Epub ahead of print] PubMed PMID: 30794889.
2: Yuen MF, Gane EJ, Kim DJ, Weilert F, Yuen Chan HL, Lalezari J, Hwang SG, Nguyen T, Flores O, Hartman G, Liaw S, Lenz O, Kakuda TN, Talloen W, Schwabe C, Klumpp K, Brown N. Antiviral Activity, Safety, and Pharmacokinetics of Capsid Assembly Modulator NVR 3-778 in Patients with Chronic HBV Infection. Gastroenterology. 2019 Apr;156(5):1392-1403.e7. doi: 10.1053/j.gastro.2018.12.023. Epub 2019 Jan 6. PubMed PMID: 30625297.
3: Lam AM, Espiritu C, Vogel R, Ren S, Lau V, Kelly M, Kuduk SD, Hartman GD, Flores OA, Klumpp K. 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). pii: e01734-18. doi: 10.1128/AAC.01734-18. Print 2019 Jan. PubMed PMID: 30373799; PubMed Central PMCID: PMC6325219.
4: Helsen N, Vervoort T, Vandenbossche J, Lenz O, Monshouwer M, Pauwels F, Snoeys J. Effect of Plasma Protein Binding on the Anti-Hepatitis B Virus Activity and Pharmacokinetic Properties of NVR 3-778. Antimicrob Agents Chemother. 2018 Oct 24;62(11). pii: e01497-18. doi: 10.1128/AAC.01497-18. Print 2018 Nov. PubMed PMID: 30181376; PubMed Central PMCID: PMC6201128.
5: Tavis JE, Lomonosova E. NVR 3-778 Plus Pegylated Interferon-α Treatment for Chronic Hepatitis B Viral Infections: Could 1 + 1 = 3? Gastroenterology. 2018 Feb;154(3):481-482. doi: 10.1053/j.gastro.2018.01.011. Epub 2018 Jan 11. PubMed PMID: 29337155.
6: Klumpp K, Shimada T, Allweiss L, Volz T, Lütgehetmann M, Hartman G, Flores OA, Lam AM, Dandri M. Efficacy of NVR 3-778, Alone and In Combination With Pegylated Interferon, vs Entecavir In uPA/SCID Mice With Humanized Livers and HBV Infection. Gastroenterology. 2018 Feb;154(3):652-662.e8. doi: 10.1053/j.gastro.2017.10.017. Epub 2017 Oct 24. PubMed PMID: 29079518.
