BAY 41-4109

Category	Hepatitis B Virus (HBV)
CAS	298708-81-3
Description	BAY 41-4109 is a novel drug inhibiting hepatitis B virus capsid formation and replication.

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Synonyms	BAY-41-4109; BAY41-4109; BAY 41-4109; BAY-414109; BAY414109; BAY 414109. methyl (4R)-4-(2-chloro-4-fluorophenyl)-2-(3,5-difluoropyridin-2-yl)-6-methyl-1,4-dihydropyrimidine-5-carboxylate
Molecular Weight	395.766
Molecular Formula	C18H13ClF3N3O2
Canonical SMILES	CC1=C(C(N=C(N1)C2=C(C=C(C=N2)F)F)C3=C(C=C(C=C3)F)Cl)C(=O)OC
InChI	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
InChIKey	FVNJBPMQWSIGJK-HNNXBMFYSA-N
Purity	>98%
Solubility	Soluble in DMSO.
Appearance	Solid Powder
Shelf Life	2 years
Storage	Store at -20 °C
Animal Admin	The HBV-transgenic mice are used in the study. Compounds (BAY 41-4109) are formulated as a suspension in 0.5% Tylose and administered per os to mice two times/day for a 28 day period. Livers are removed and immediately frozen for subsequent analysis. Blood is obtained by cardiac puncture of the anesthesized animals.
Complexity	645
Exact Mass	395.0648388
PSA	63.58000
Target	HBV
XLogP3-AA	3.1