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≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Ziresovir (AK0529;RO-0529) is a potent, selective, and orally bioavailable respiratory syncytial virus (RSV) fusion (F) protein ( RSV F ) protein inhibitor. Ziresovir shows anti-RSV activity ( EC 50 =3 nM) and highlights pharmacokinetics in animal species
In Vitro
Ziresovir shows different efficacy in Wild Type (WT) and Mutant Strains RSV with EC 50 /EC 90 values (μM) of 0.003/0.005 (WT), 2.1/10.0 (D486N), and >10/>10 (D489A), respectively. RO-0529 (100 nM; 4 d) inhibits RSV F protein-induced cell–cell fusion process, and suppresses the syncytia formation induced by the RSV F protein. MCE has not independently confirmed the accuracy of these methods. They are for reference only.
In Vivo
Ziresovir (12.5 mg/kg, 50 mg/kg; p.o.; twice daily; 4 d) results reduction of RSV titer in mouse lung . Ziresovir (10 mg/kg; p.o.; single dose) exhibits good oral exposure and bioavailability with F(%) of 32% in male Wistar-Han rats . Ziresovir (150 mg/kg; p.o.; single dose) demonstrates a high tissue distribution to lung than plasma in CD-1 Mice . Pharmacokinetics of Ziresovir in male Wistar-Han rats Dose (mg/kg) AUC 0-24h (p.o.) (ng·h/mL) CL (mL/min/kg) T 1/2 (i.v.) (h) V ss (L/kg) F (%) 2 mg/kg (iv) or 10 mg/kg (po) 906 58 1.2 3.9 32 Pharmacokinetics of Ziresovir in CD-1 Mice Dose (mg/kg) AUC 0-24h (p.o.) (μg·h/L) tissue/lasma AUC 0-24h ratio (μg·h/L) T 1/2 (h) T max (h) C max (μg/L) plasma 8,380 1 1.02 0.25 5090 lung 72,400 8.6 3.31 1 22700 MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: Female BALB/c mice infected by RSV Dosage: 12.5 mg/kg, 50 mg/kg Administration: Oral gavage; twice daily; 4 days Result: Resulted >1 log unit of viral titer reduction in the lung of infected mice at the dose level as low as 12.5 mg/kg. Reduced viral titer to 1.9 log units compared to vehicle at 50 mg/kg dose.
Form:Solid
IC50& Target:RSV F protein (respiratory syncytial virus fusion protein), EC50: 3 nM (RSV F)
| ALogP | 1.8 |
|---|
| Sonrisas canónicas | CC1=CC2=C(C=C1)N=C(N=C2NCC3(COC3)N)N4CCS(=O)(=O)C5=CC=CC=C5C4 |
|---|---|
| IUPAC Name | N-[(3-aminooxetan-3-yl)methyl]-2-(1,1-dioxo-3,5-dihydro-2H-1\u03bb6,4-benzothiazepin-4-yl)-6-methylquinazolin-4-amine |
| InChIKey | GAAICKUTDBZCMT-UHFFFAOYSA-N |
| INCHI | 1S/C22H25N5O3S/c1-15-6-7-18-17(10-15)20(24-12-22(23)13-30-14-22)26-21(25-18)27-8-9-31(28,29)19-5-3-2-4-16(19)11-27/h2-7,10H,8-9,11-14,23H2,1H3,(H,24,25,26) |
| Isómeros SMILES | CC1=CC2=C(C=C1)N=C(N=C2NCC3(COC3)N)N4CCS(=O)(=O)C5=CC=CC=C5C4 |
| CAS alternativo | 1422500-60-4 |
| PubChem CID | 71262247 |
| Términos de entrada MeSH | AK-0529;AK0529;N-((3-aminooxetan-3-yl)methyl)-2-(1,1-dioxo-3,5-dihydro-2H-1lambda6,4-benzothiazepin-4-yl)-6-methylquinazolin-4-amine;RO-0529;RO0529;ziresovir |
| Peso molecular | 439.53 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Benzothiazepines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzothiazepines |
| Alternative Parents | Quinazolinamines Dialkylarylamines Aminopyrimidines and derivatives Imidolactams Benzenoids Sulfones Heteroaromatic compounds Oxetanes Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organic oxides Monoalkylamines Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzothiazepine - Quinazolinamine - Quinazoline - Dialkylarylamine - Aminopyrimidine - Pyrimidine - Imidolactam - Benzenoid - Heteroaromatic compound - Sulfone - Oxetane - Dialkyl ether - Ether - Oxacycle - Azacycle - Organic oxide - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic nitrogen compound - Amine - Primary amine - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as benzothiazepines. These are organic compounds containing a benzene fused to a thiazepine ring (a seven-membered ring with a nitrogen atom and a sulfur atom replacing two carbon atoms). |
| External Descriptors | Not available |
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| Solubilidad | DMSO : 125 mg/mL (284.39 mM; Need ultrasonic) |
|---|---|
| Peso molecular | 439.500 g/mol |
| XLogP3 | 1.800 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 4 |
| Exact Mass | 439.168 Da |
| Monoisotopic Mass | 439.168 Da |
| Topological Polar Surface Area | 119.000 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 740.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |