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執大象，天下往，往而無害，安平泰
WEB: www.eosmedchem.com
EMAIL: info@eosmedchem.com; eosmedchem@gmail.com; eosmedchem@qq.com
TEL: 0086-531-69905422
GMP PLANT: No. 37, Yulong Road, Qufu City, Shandong Province.
Description: BAY41-4109 racemic is a mixture of R-isomer of BAY41-4109 and S-isomer of BAY41-4109. BAY-41-4109 is a heteroaryldihydropyrimidine (HAP) antiviral compound effective on Hepatitis B virus (HBV) capsid assembly and on preformed HBV capsids.
Name: BAY41-4109 racemic
CAS#: 298708-79-9 (racemic)
Chemical Formula: C18H13ClF3N3O2
Exact Mass: 395.0648
Molecular Weight: 395.7662
Elemental Analysis: C, 54.63; H, 3.31; Cl, 8.96; F, 14.40; N, 10.62; O, 8.09
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: Methyl 4-(2-chloro-4-fluorophenyl)-2-(3,5-difluoropyridin-2-yl)-6-methyl-1,4-dihydropyrimidine-5-carboxylate
InChi Key: FVNJBPMQWSIGJK-UHFFFAOYSA-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)
SMILES Code: O=C(C1=C(C)NC(C2=NC=C(F)C=C2F)=NC1C3=CC=C(F)C=C3Cl)OC
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: >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).
Harmonized System Code: 293490
REFERENCES
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.
