Baloxavir marboxil

Category	Influenza Virus
CAS	1985606-14-1
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	S-033188; HY-109025
IUPAC Name	[(3R)-2-[(11S)-7,8-difluoro-6,11-dihydrobenzo[c][1]benzothiepin-11-yl]-9,12-dioxo-5-oxa-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-dien-11-yl]oxymethyl methyl carbonate
Molecular Weight	571.55
Molecular Formula	C27H23F2N3O7S
Canonical SMILES	O=C(OCOC(C(C=C1)=O)=C(N1N([C@@H]2C3=CC=CC=C3SCC4=C(F)C(F)=CC=C24)[C@@]5([H])N6CCOC5)C6=O)OC
InChI	InChI=1S/C27H23F2N3O7S/c1-36-27(35)39-14-38-25-19(33)8-9-31-24(25)26(34)30-10-11-37-12-21(30)32(31)23-15-6-7-18(28)22(29)17(15)13-40-20-5-3-2-4-16(20)23/h2-9,21,23H,10-14H2,1H3/t21-,23+/m1/s1
InChIKey	RZVPBGBYGMDSBG-GGAORHGYSA-N
Boiling Point	712.8±70.0 °C at 760 mmHg
Flash Point	384.9±35.7 °C
Purity	≥98%
Density	1.6±0.1 g/cm3
Solubility	Soluble to ≥ 50 mg/mL in DMSO.
Appearance	Solid Powder
Storage	4°C, stored under nitrogen * In solvent : -80°C 6 months -20°C 1 month (stored under nitrogen)
Complexity	1090
Exact Mass	571.12247758
Index Of Refraction	1.696
In Vitro	Baloxavir marboxil is a polymerase acidic protein (PA) endonuclease inhibitor.
Target	Influenza Virus
Vapor Pressure	0.0±2.3 mmHg at 25°C
XLogP3-AA	3.8