Sisunatovir - Moligand™, ≥98% , Fusion glycoprotein F0 inhibitor, CAS No.1903763-82-5, Fusion glycoprotein F0 inhibitor

CAS: 1903763-82-5 Cat. No.: S650299 Formula: C₂₃H₂₂F₄N₄O Peso molecolare: 446.44

GRADE & PURITY Moligand™, ≥98%

Synonyms

Sisunatovir (Synonyms: RV521) | RV521 | RV-521 | Sisunatovir [USAN] | WHO 11253 | RV 521 | 1903763-82-5 | MS-28057 | KE63TTO7WK | RV521.HCl | WVA

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Panoramica

Sisunatovir (RV521), an orally available inhibitor of the RSV protein, exhibits potent efficacy against a panel of clinical isolates of RSV-A and RSV-B viruses, with IC 50 s of 1.4 nM and 1.0 nM, respectively.

Form:Solid

Specifications

Sinonimi

Sisunatovir (Synonyms: RV521) | RV521 | RV-521 | Sisunatovir [USAN] | WHO 11253 | RV 521 | 1903763-82-5 | MS-28057 | KE63TTO7WK | RV521.HCl | WVA

Specifiche e purezza

Moligand™, ≥98%

Meccanismi biochimici e fisiologici

Sisunatovir (RV521), an orally available inhibitor of the RSV protein, exhibits potent efficacy against a panel of clinical isolates of RSV-A and RSV-B viruses, with IC 50 s of 1.4 nM and 1.0 nM, respectively.

Condizioni di conservazione di stoccaggio

Protected from light,Store at -20°C,Argon charged

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Grado

Moligand™

Tipo di azione

INHIBITOR

Meccanismo d'azione

Fusion glycoprotein F0 inhibitor

Purezza

≥98%

Proprietà del prodotto

ALogP

3.1

Nomi e identificatori

Pubchem Sid

528767289

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528767289

Sorrisi canonici

C1CC12C3=C(C=C(C=C3)F)N(C2=O)CC4=NC5=C(N4CCCC(F)(F)F)C=CC(=C5)CN

IUPAC Name

1'-[[5-(aminomethyl)-1-(4,4,4-trifluorobutyl)benzimidazol-2-yl]methyl]-6'-fluorospiro[cyclopropane-1,3'-indole]-2'-one

InChIKey

JOPCJJSYRPUEDS-UHFFFAOYSA-N

INCHI

1S/C23H22F4N4O/c24-15-3-4-16-19(11-15)31(21(32)22(16)7-8-22)13-20-29-17-10-14(12-28)2-5-18(17)30(20)9-1-6-23(25,26)27/h2-5,10-11H,1,6-9,12-13,28H2

Isomeri SMILES

C1CC12C3=C(C=C(C=C3)F)N(C2=O)CC4=NC5=C(N4CCCC(F)(F)F)C=CC(=C5)CN

CAS alternativo

1903763-82-5；1903763-83-6

Termini MeSH

1'-((5-(aminomethyl)-1-(4,4,4-trifluorobutyl)-1H-1,3-benzodiazol-2-yl)methyl)-6'-fluoro-1',2'-dihydrospiro(cyclopropane-1,3'-indole)-2'-one;RV521;sisunatovir

Peso molecolare

446.44

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Benzimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Benzimidazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzimidazoles
• Alternative Parents: Indoles and derivatives Aralkylamines N-substituted imidazoles Benzenoids Aryl fluorides Tertiary carboxylic acid amides Heteroaromatic compounds Lactams Amino acids and derivatives Azacyclic compounds Organopnictogen compounds Organofluorides Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indole or derivatives - Benzimidazole - Aralkylamine - Benzenoid - N-substituted imidazole - Aryl halide - Aryl fluoride - Heteroaromatic compound - Tertiary carboxylic acid amide - Imidazole - Azole - Lactam - Carboxamide group - Amino acid or derivatives - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Primary aliphatic amine - Carbonyl group - Amine - Alkyl halide - Alkyl fluoride - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds).
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Obiettivi associati (umani)

HEp-2 (3859 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HepG2 (196354 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Obiettivi associati (non umani)

Salmonella typhimurium (15756 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Human orthopneumovirus (392 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Rattus norvegicus (775804 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Respiratory syncytial virus (3434 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Vero (26788 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

F Fusion glycoprotein F0 (242 Activities)

Discover Target: F

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: DMSO : 25 mg/mL (56.00 mM; ultrasonic and warming and heat to 60°C)
• Sensibilità: light sensitive
• Peso molecolare: 446.400 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 446.173 Da
• Monoisotopic Mass: 446.173 Da
• Topological Polar Surface Area: 64.200 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 715.000
• 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