Ziresovir - ≥95% , Fusion glycoprotein F0 inhibitor, CAS No.1422500-60-4, Fusion glycoprotein F0 inhibitor

CAS: 1422500-60-4 Cat. No.: Z649795 Peso molecular: 439.53 PubChem CID: 71262247
Disponible para pedir
GRADE & PURITY ≥95%
Synonyms
4-(4-(((3-Aminooxetan-3-yl)methyl)amino)-6-methylquinazolin-2-yl)-2,3,4,5-tetrahydro-1H-1lambda6,4-benzothiazepine-1,1-dione | AK0529 | AK-0529 | SCHEMBL14704847 | N-((3-aminooxetan-3-yl)methyl)-2-(1,1-dioxo-3,5-dihydro-2H-1lambda6,4-benzothiazepin-4-yl)-
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
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Size
Estado
Price
Qty
5mg
Z649795-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
700,90US$
10mg
Z649795-10mg
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1.100,90US$
25mg
Z649795-25mg
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1.980,90US$
50mg
Z649795-50mg
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3.300,90US$
100mg
Z649795-100mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
4.500,90US$
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Why this grade

≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Descripción general

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)

Specifications

Sinónimos
4-(4-(((3-Aminooxetan-3-yl)methyl)amino)-6-methylquinazolin-2-yl)-2, 3, 4, 5-tetrahydro-1H-1lambda6, 4-benzothiazepine-1, 1-dione | AK0529 | AK-0529 | SCHEMBL14704847 | N-((3-aminooxetan-3-yl)methyl)-2-(1, 1-dioxo-3, 5-dihydro-2H-1lambda6, 4-benzothiazepin-4-yl)-
Especificaciones y pureza
≥95%
Mecanismos bioquímicos y fisiológicos
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
Condiciones de almacenamiento de almacenamiento
Store at -20°C
Enviado en
Ice chest + Ice pads
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Tipo de acción
INHIBITOR
Mecanismo de acción
Fusion glycoprotein F0 inhibitor
Pureza
≥95%
Propiedades del producto
ALogP1.8
Nombres e identificadores
Sonrisas canónicasCC1=CC2=C(C=C1)N=C(N=C2NCC3(COC3)N)N4CCS(=O)(=O)C5=CC=CC=C5C4
IUPAC NameN-[(3-aminooxetan-3-yl)methyl]-2-(1,1-dioxo-3,5-dihydro-2H-1\u03bb6,4-benzothiazepin-4-yl)-6-methylquinazolin-4-amine
InChIKeyGAAICKUTDBZCMT-UHFFFAOYSA-N
INCHI1S/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

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClaseBenzothiazepines
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentBenzothiazepines
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 FrameworkAromatic 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
DescripciónThis 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
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
HEp-2 (3859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Objetivos asociados (no humanos)
Human respirovirus 3 (1674 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Human orthopneumovirus (392 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Human parainfluenza virus 2 (5 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Influenza A virus (11224 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Enterovirus (1116 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Human respirovirus 1 (22 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
F Fusion glycoprotein F0 (242 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propiedades químicas y físicas
SolubilidadDMSO : 125 mg/mL (284.39 mM; Need ultrasonic)
Peso molecular439.500 g/mol
XLogP31.800
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass439.168 Da
Monoisotopic Mass439.168 Da
Topological Polar Surface Area119.000 Ų
Heavy Atom Count31
Formal Charge0
Complexity740.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculadoras de soluciones
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