Besifovir

Category	Hepatitis B Virus (HBV)
CAS	441785-25-7
Description	Besifovir is an orally available phosphonate nucleotide for the potential treatment of hepatitis B virus infection was well tolerated and also had a good clinical safety profile.

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Synonyms	LB 80380; LB80380; LB-80380;(1-((2-Amino-9H-purin-9-yl)methyl)cyclopropoxy)methylphosphonic acid;P-[[[1-[(2-amino-9H-purin-9-yl)methyl]cyclopropyl]oxy]methyl]-phosphonic acid
IUPAC Name	[1-[(2-aminopurin-9-yl)methyl]cyclopropyl]oxymethylphosphonic acid
Molecular Weight	299.22
Molecular Formula	C10H14N5O4P
Canonical SMILES	C1CC1(CN2C=NC3=CN=C(N=C32)N)OCP(=O)(O)O
InChI	1S/C10H14N5O4P/c11-9-12-3-7-8(14-9)15(5-13-7)4-10(1-2-10)19-6-20(16,17)18/h3,5H,1-2,4,6H2,(H2,11,12,14)(H2,16,17,18)
InChIKey	KDNSSKPZBDNJDF-UHFFFAOYSA-N
Boiling Point	711.9±60.0 °C at 760 mmHg
Flash Point	384.3±32.9 °C
Purity	≥98%
Density	1.3±0.1 g/cm3
Solubility	Soluble in DMSO
Appearance	White Solid
Application	DNA-directed DNA polymerase inhibitors; Hepatitis B virus replication inhibitors
Shelf Life	As supplied, 2 years from the QC date provided on the Certificate of Analysis, when stored properly.
Storage	Store at -20 °C
Complexity	415
Exact Mass	299.07834094
Index Of Refraction	1.667
In Vitro	Netarsodil (AR-13324) is a potent selective ROCK inhibitor with a Ki of 4.2 nM for ROCK2; Of a group of 422 kinases, 11 kinases were inhibited >90%, with only ROCK1 and ROCK2 (93% inhibition rate each) and PKC (δ, 91% and eta, 93% inhibited).
In Vivo	Besifovir exhibits improved bioavailability, showing effective and sustained IOP reduction 24 hours after administration.
Target	HBV
Vapor Pressure	0.0±2.3 mmHg at 25°C
XLogP3-AA	-1.8