Baloxavir

Category	Influenza Virus
CAS	1985605-59-1
Description	Baloxavir marboxil is a first-in-class, one-dose oral medicine with a novel proposed mechanism of action that has demonstrated efficacy in a wide range of influenza viruses, including in vitro activity against oseltamivir-resistant strains and avian strains (H7N9, H5N1) in non-clinical studies. Baloxavir is a polymerase acidic, cap-dependent, endonuclease inhibitor that is indicated for the treatment of acute uncomplicated influenza in patients aged 12 years and older who have been symptomatic for no more than 48 hours. It blocks viral proliferation by binding to one of two endonuclease binding sites, inhibiting the initiation of mRNA synthesis for both influenza A and influenza B strains. Baloxavir can interact with polyvalent cation-containing products, which can decrease its plasma concentration.

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Synonyms	Baloxavir acid; BXA; Xofluza; S-033447
IUPAC Name	(3R)-2-[(11S)-7,8-difluoro-6,11-dihydrobenzo[c][1]benzothiepin-11-yl]-11-hydroxy-5-oxa-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione
Molecular Weight	483.49
Molecular Formula	C24H19F2N3O4S
Canonical SMILES	C1COCC2N1C(=O)C3=C(C(=O)C=CN3N2C4C5=C(CSC6=CC=CC=C46)C(=C(C=C5)F)F)O
InChI	InChI=1S/C24H19F2N3O4S/c25-16-6-5-13-15(20(16)26)12-34-18-4-2-1-3-14(18)21(13)29-19-11-33-10-9-27(19)24(32)22-23(31)17(30)7-8-28(22)29/h1-8,19,21,31H,9-12H2/t19-,21+/m1/s1
InChIKey	FIDLLEYNNRGVFR-CTNGQTDRSA-N
Boiling Point	644.7±65.0 °C at 760 mmHg
Flash Point	343.7±34.3 °C
Purity	≥98%
Density	1.6±0.1 g/cm3
Solubility	Soluble in DMSO.
Appearance	Solid Powder
Storage	Powder: -20°C 3 years 4°C 2 years In solvent: -80°C 6 months -20°C 1 months
Complexity	932
Exact Mass	483.10643359
Index Of Refraction	1.757
Target	Influenza Virus
Vapor Pressure	0.0±2.0 mmHg at 25°C
XLogP3-AA	3.6