RSV604 - ≥99% , Nucleoprotein inhibitor, CAS No.676128-63-5, Nucleoprotein inhibitor

CAS: 676128-63-5 Cat. No.: R412405 Summenformel: C₂₂H₁₇FN₄O₂ Molekulargewicht: 388.39 PubChem CID: 5279172

GRADE & PURITY ≥99%

Synonyms

(S)-N-(2-Fluorophenyl)-N'-(2-oxo-5-phenyl-2,3-dihydro-1H-benzo(E)(1,4)diazepin-3-yl)urea | 1-(2-fluorophenyl)-3-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]urea | MS-26434 | NCGC00510789-01 | BCB12863 | Urea, N-((3S)-2,3-dihydro-2-oxo-5-phenyl

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

Information

RSV604 RSV604 (A-60444), a novel benzodiazepine, is an inhibitor of respiratory syncytial virus (RSV) with EC50 of 0.86 μM. RSV604 has significant potential for the effective treatment of RSV disease. Phase 2.

Targets

RSV (Cell-free assay) 0.86 μM(EC50)

Specifications

Synonyme

(S)-N-(2-Fluorophenyl)-N'-(2-oxo-5-phenyl-2,3-dihydro-1H-benzo(E)(1,4)diazepin-3-yl)urea | 1-(2-fluorophenyl)-3-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]urea | MS-26434 | NCGC00510789-01 | BCB12863 | Urea, N-((3S)-2,3-dihydro-2-oxo-5-phenyl

Spezifikationen & Reinheit

≥99%

Biochemische und physiologische Mechanismen

RSV604 (A-60444), a novel benzodiazepine, is an inhibitor of respiratory syncytial virus (RSV) with EC50 of 0.86 μM. RSV604 has significant potential for the effective treatment of RSV disease. Phase 2.

Storage

Protected from light,Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Aktionsart

INHIBITOR

Mechanismus der Wirkung

Nucleoprotein inhibitor

Reinheit

≥99%

Produkteigenschaften

• ALogP: 3.3

Namen und Kennungen

• Pubchem Sid: 504763293
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763293
• Kanonisches Lächeln: C1=CC=C(C=C1)C2=NC(C(=O)NC3=CC=CC=C32)NC(=O)NC4=CC=CC=C4F
• IUPAC Name: 1-(2-fluorophenyl)-3-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]urea
• InChIKey: MTPVBMVUENFFLL-HXUWFJFHSA-N
• INCHI: 1S/C22H17FN4O2/c23-16-11-5-7-13-18(16)25-22(29)27-20-21(28)24-17-12-6-4-10-15(17)19(26-20)14-8-2-1-3-9-14/h1-13,20H,(H,24,28)(H2,25,27,29)/t20-/m1/s1
• Isomere SMILES: C1=CC=C(C=C1)C2=N[C@@H](C(=O)NC3=CC=CC=C32)NC(=O)NC4=CC=CC=C4F
• PubChem CID: 5279172
• Molekulargewicht: 388.39

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Benzodiazepines
      • Subclass 1,4-benzodiazepines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Benzodiazepines
• Subclass: 1,4-benzodiazepines
• Intermediate Tree Nodes: Not available
• Direct Parent: 1,4-benzodiazepines
• Alternative Parents: N-phenylureas Alpha amino acids and derivatives Fluorobenzenes Aryl fluorides Ureas Secondary carboxylic acid amides Lactams Ketimines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1,4-benzodiazepine - Alpha-amino acid or derivatives - N-phenylurea - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Carboxamide group - Urea - Secondary carboxylic acid amide - Ketimine - Lactam - Azacycle - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Imine - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as 1,4-benzodiazepines. These are organic compounds containing a benzene ring fused to a 1,4-azepine.
• 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

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CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)

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CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)

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CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)

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CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)

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CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

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Liver microsomes (16955 Activities)

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Zugehörige Ziele (nicht menschlich)

Hdac6 Histone deacetylase 6 (222 Activities)

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Human respirovirus 3 (1674 Activities)

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Rattus norvegicus (775804 Activities)

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Respiratory syncytial virus (3434 Activities)

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Human respirovirus 1 (22 Activities)

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MDCK (10148 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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Bovine orthopneumovirus (1 Activities)

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Metapneumovirus (1 Activities)

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Pneumonia virus of mice 15 (1 Activities)

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Serum (58 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Solubility (25°C) In vitro DMSO: 78 mg/mL (200.82 mM); Ethanol: 9 mg/mL (23.17 mM); Water: ˂1 mg/mL；DMSO: 20 mg/mL, clear
• Empfindlichkeit: Light sensitive
• Molekulargewicht: 388.400 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 388.134 Da
• Monoisotopic Mass: 388.134 Da
• Topological Polar Surface Area: 82.600 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 634.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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