NVR 3-778
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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.


Chemical Structure

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NVR 3-778
CAS# 1445790-55-5 (free)

Theoretical Analysis

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

Price and Availability

Size Price Availability Quantity
25.0mg USD 250.0 2 Weeks
50.0mg USD 450.0 2 Weeks
100.0mg USD 750.0 2 Weeks
200.0mg USD 1250.0 2 Weeks
500.0mg USD 2650.0 2 Weeks
1.0g USD 3850.0 2 Weeks
2.0g USD 6450.0 2 Weeks
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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

Preparing Stock Solutions

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.

Recalculate based on batch purity %
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

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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.