NVR 3-778

    WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 565269

CAS#: 1445790-55-5

Description: NVR 3-778 is a first-in-class capsid assembly modulator against the hepatitis B virus.


Price and Availability

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NVR 3-778 is not in stock, may be available through custom synthesis. For cost-effective reason, minimum 1 gram order is requested. The product will be characterized by NMR, HPLC and MS analysis. Purity (HPLC) is usually >98%. CoA, QC data, MSDS will be provided when product is successfully made. The estimated lead time is 2-3 months. Please send email to sales@medkoo.com to inquire quote.


Chemical Structure

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Theoretical Analysis

MedKoo Cat#: 565269
Name: NVR 3-778
CAS#: 1445790-55-5
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


Synonym: NVR 3778; NVR 3 778; NVR-3-778; K-89; K 89; K89

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


Technical Data

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).

Harmonized System Code:
2934990300


References

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.