BAY-41-4109 | CAS#298708-81-3 | 298708-79-9 | Antiviral Compound

BAY-41-4109
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WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 524383

CAS#: 298708-81-3 (R-isomer),

Description: BAY-41-4109 is a heteroaryldihydropyrimidine (HAP) antiviral compound effective on Hepatitis B virus (HBV) capsid assembly and on preformed HBV capsids.

Chemical Structure

BAY-41-4109

CAS# 298708-81-3 (R-isomer),

Instruction

Theoretical Analysis

MedKoo Cat#: 524383
Name: BAY-41-4109
CAS#: 298708-81-3 (R-isomer),
Chemical Formula: C18H13ClF3N3O2
Exact Mass: 395.06
Molecular Weight: 395.760
Elemental Analysis: C, 54.63; H, 3.31; Cl, 8.96; F, 14.40; N, 10.62; O, 8.09

Price and Availability

Size	Price	Availability
5mg	USD 350	2 Weeks
25mg	USD 950	2 Weeks
Bulk inquiry Welcome, Customer: Please do not inquire quote if your intended use is for a patient since our products are for research use and for chemical synthesis use, not for human use . For in-stock products, we listed price in the web page. You may inquire prices for which sizes were not listed. If no price is listed, this means the product is not in stock at the moment, which may be available via custom synthesis. For cost-effective reason, minimum order of 1g is requested (typically very expensive). The lead time is usually 2-4 months. Quote of less than 1g will not be provided. MedKoo may not offer quote for below reasons: (1) current available synthetic method appears to be extremely expensive which is obviously not affordable to most customers; (2) Key raw material to make the product is temporally not available; (3) DEA controlled substances; (4) the product is under patent protection in customer’s country.

Related CAS #: 298708-79-9 (racemic) 298708-81-3 (R-isomer)

Synonym: BAY-41-4109; BAY41-4109; BAY 41-4109; BAY-414109; BAY414109; BAY 414109.

IUPAC/Chemical Name: (R)-methyl 4-(2-chloro-4-fluorophenyl)-2-(3,5-difluoropyridin-2-yl)-6-methyl-1,4-dihydropyrimidine-5-carboxylate

InChi Key: FVNJBPMQWSIGJK-HNNXBMFYSA-N

InChi Code: InChI=1S/C18H13ClF3N3O2/c1-8-14(18(26)27-2)15(11-4-3-9(20)5-12(11)19)25-17(24-8)16-13(22)6-10(21)7-23-16/h3-7,15H,1-2H3,(H,24,25)/t15-/m0/s1

SMILES Code: O=C(C1=C(C)NC(C2=NC=C(F)C=C2F)=N[C@H]1C3=CC=C(F)C=C3Cl)OC

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, not in water

Shelf Life: >2 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

More Info:

Instruction:

View handling instruction

Biological target:
In vitro activity:
In vivo activity:

Preparing Stock Solutions

The following data is based on the product molecular weight 395.76 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

Formulation protocol:
In vitro protocol:
In vivo protocol:

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1: Wu G, Liu B, Zhang Y, Li J, Arzumanyan A, Clayton MM, Schinazi RF, Wang Z, Goldmann S, Ren Q, Zhang F, Feitelson MA. Preclinical characterization of GLS4, an inhibitor of hepatitis B virus core particle assembly. Antimicrob Agents Chemother. 2013 Nov;57(11):5344-54. doi: 10.1128/AAC.01091-13. Epub 2013 Aug 19. PubMed PMID: 23959305; PubMed Central PMCID: PMC3811253.

2: Brezillon N, Brunelle MN, Massinet H, Giang E, Lamant C, DaSilva L, Berissi S, Belghiti J, Hannoun L, Puerstinger G, Wimmer E, Neyts J, Hantz O, Soussan P, Morosan S, Kremsdorf D. Antiviral activity of Bay 41-4109 on hepatitis B virus in humanized Alb-uPA/SCID mice. PLoS One. 2011;6(12):e25096. doi: 10.1371/journal.pone.0025096. Epub 2011 Dec 5. PubMed PMID: 22162746; PubMed Central PMCID: PMC3230577.

3: Billioud G, Pichoud C, Puerstinger G, Neyts J, Zoulim F. The main hepatitis B virus (HBV) mutants resistant to nucleoside analogs are susceptible in vitro to non-nucleoside inhibitors of HBV replication. Antiviral Res. 2011 Nov;92(2):271-6. doi: 10.1016/j.antiviral.2011.08.012. Epub 2011 Aug 18. PubMed PMID: 21871497.

4: Wu GY, Zheng XJ, Yin CC, Jiang D, Zhu L, Liu Y, Wei L, Wang Y, Chen HS. Inhibition of hepatitis B virus replication by Bay 41-4109 and its association with nucleocapsid disassembly. J Chemother. 2008 Aug;20(4):458-67. PubMed PMID: 18676226.

5: Pan XB, Han JC, Wei L, Peng DD, Gao Y. [Subcellular distribution and translocation of hepatitis B virus core protein in HepG2.2.15 cells]. Zhonghua Gan Zang Bing Za Zhi. 2008 Jan;16(1):29-32. Chinese. PubMed PMID: 18226340.

6: Shi C, Wu CQ, Cao AM, Sheng HZ, Yan XZ, Liao MY. NMR-spectroscopy-based metabonomic approach to the analysis of Bay41-4109, a novel anti-HBV compound, induced hepatotoxicity in rats. Toxicol Lett. 2007 Sep 28;173(3):161-7. Epub 2007 Aug 2. PubMed PMID: 17826925.

7: Stray SJ, Zlotnick A. BAY 41-4109 has multiple effects on Hepatitis B virus capsid assembly. J Mol Recognit. 2006 Nov-Dec;19(6):542-8. PubMed PMID: 17006877.

8: Hallenberger S. Antiviral therapies. J Clin Virol. 2004 Apr;30 Suppl 1:S23-5. PubMed PMID: 15062765.

9: Deres K, Schröder CH, Paessens A, Goldmann S, Hacker HJ, Weber O, Krämer T, Niewöhner U, Pleiss U, Stoltefuss J, Graef E, Koletzki D, Masantschek RN, Reimann A, Jaeger R, Gross R, Beckermann B, Schlemmer KH, Haebich D, Rübsamen-Waigmann H. Inhibition of hepatitis B virus replication by drug-induced depletion of nucleocapsids. Science. 2003 Feb 7;299(5608):893-6. PubMed PMID: 12574631.

10: Weber O, Schlemmer KH, Hartmann E, Hagelschuer I, Paessens A, Graef E, Deres K, Goldmann S, Niewoehner U, Stoltefuss J, Haebich D, Ruebsamen-Waigmann H, Wohlfeil S. Inhibition of human hepatitis B virus (HBV) by a novel non-nucleosidic compound in a transgenic mouse model. Antiviral Res. 2002 May;54(2):69-78. PubMed PMID: 12062392.

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