Rilematovir - ≥98% , Fusion glycoprotein F0 inhibitor, CAS No.1383450-81-4, Fusion glycoprotein F0 inhibitor

CAS: 1383450-81-4 Cat. No.: R648987 Molecular Weight: 500.92 PubChem CID: 118892432

GRADE & PURITY ≥98%

Synonyms

Rilematovir | 3-((5-Chloro-1-(3-(methylsulfonyl)propyl)-1H-indol-2-yl)methyl)-1-(2,2,2-trifluoroethyl)-1H-imidazo[4,5-c]pyridin-2(3H)-one | Rilematovir [INN] | JNJ-53718678 | NQ99E8OH3P | JNJ-678

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Rilematovir (JNJ-678) is an inhibitor of fusion protein with antiviral activity and low cytotoxicity. Rilematovir can be used in studies about respiratory syncytial virus treatment.

Specifications

Synonyms

Rilematovir | 3-((5-Chloro-1-(3-(methylsulfonyl)propyl)-1H-indol-2-yl)methyl)-1-(2, 2, 2-trifluoroethyl)-1H-imidazo[4, 5-c]pyridin-2(3H)-one | Rilematovir [INN] | JNJ-53718678 | NQ99E8OH3P | JNJ-678

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Rilematovir (JNJ-678) is a novel fusion protein inhibitor. Rilematovir has the potential for respiratory syncytial virus (RSV) research.

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Mechanism of action

Fusion glycoprotein F0 inhibitor

Purity

≥98%

Product Properties

• ALogP: 2.9

Names and Identifiers

• Canonical Smiles: CS(=O)(=O)CCCN1C2=C(C=C(C=C2)Cl)C=C1CN3C4=C(C=CN=C4)N(C3=O)CC(F)(F)F
• IUPAC Name: 3-[[5-chloro-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]-1-(2,2,2-trifluoroethyl)imidazo[4,5-c]pyridin-2-one
• InChIKey: GTQTUABHRCWVLL-UHFFFAOYSA-N
• INCHI: 1S/C21H20ClF3N4O3S/c1-33(31,32)8-2-7-27-16(10-14-9-15(22)3-4-17(14)27)12-28-19-11-26-6-5-18(19)29(20(28)30)13-21(23,24)25/h3-6,9-11H,2,7-8,12-13H2,1H3
• Isomeric SMILES: CS(=O)(=O)CCCN1C2=C(C=C(C=C2)Cl)C=C1CN3C4=C(C=CN=C4)N(C3=O)CC(F)(F)F
• Alternate CAS: 1383450-81-4
• PubChem CID: 118892432
• MeSH Entry Terms: JNJ-53718678
• Molecular Weight: 500.92

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Imidazopyridines
      • Subclass Imidazopyridinones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Imidazopyridines
• Subclass: Imidazopyridinones
• Intermediate Tree Nodes: Not available
• Direct Parent: Imidazopyridinones
• Alternative Parents: N-alkylindoles Indoles Imidazo-[4,5-c]pyridines Pyridinones Substituted pyrroles N-substituted imidazoles Benzenoids Aryl chlorides Sulfones Heteroaromatic compounds Ureas Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: N-alkylindole - Imidazopyridinone - Imidazo-[4,5-c]pyridine - Indole or derivatives - Indole - Pyridinone - Benzenoid - Substituted pyrrole - Pyridine - N-substituted imidazole - Aryl halide - Aryl chloride - Heteroaromatic compound - Sulfonyl - Sulfone - Pyrrole - Imidazole - Azole - Urea - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as imidazopyridinones. These are compounds containing an imidazopyridine moiety where the pyridine ring bears a ketone group.
• 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

Associated Targets(Human)

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

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

HeLa (62764 Activities)

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

Associated Targets(non-human)

Human orthopneumovirus (392 Activities)

Explore this target

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

F Fusion glycoprotein F0 (242 Activities)

Discover Target: F

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: DMSO : 65 mg/mL (129.76 mM; Need ultrasonic)
• Molecular Weight: 500.900 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 500.09 Da
• Monoisotopic Mass: 500.09 Da
• Topological Polar Surface Area: 83.900 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 825.000
• 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