WAY-311426 - ≥97% , CAS No.496799-23-6

CAS: 496799-23-6 Cat. No.: W416892 Formule: C₁₉H₁₉NO₅ Poids moléculaire: 341.36 PubChem CID: 2999882

QUALITÉ & PURETÉ ≥97%

Synonyms

(4E)-4-[furan-2-yl(hydroxy)methylidene]-1-(3-methoxypropyl)-5-phenylpyrrolidine-2,3-dione

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

altering the lifespan of a eukaryotic organism

Spécifications

Synonymes

(4E)-4-[furan-2-yl(hydroxy)methylidene]-1-(3-methoxypropyl)-5-phenylpyrrolidine-2,3-dione

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥97%

Propriétés du produit

ALogP

1.712

Nombre de HBD

1

Liaison rotative

7

Noms et identifiants

Pubchem Sid

504762272

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504762272

Sourires canoniques

COCCCN1C(C(=C(C1=O)O)C(=O)C2=CC=CO2)C3=CC=CC=C3

IUPAC Name

3-(furan-2-carbonyl)-4-hydroxy-1-(3-methoxypropyl)-2-phenyl-2H-pyrrol-5-one

InChIKey

QWXRQLNPRSEXKX-UHFFFAOYSA-N

INCHI

1S/C19H19NO5/c1-24-11-6-10-20-16(13-7-3-2-4-8-13)15(18(22)19(20)23)17(21)14-9-5-12-25-14/h2-5,7-9,12,16,22H,6,10-11H2,1H3

Isomères SMILES

COCCCN1C(C(=C(C1=O)O)C(=O)C2=CC=CO2)C3=CC=CC=C3

PubChem CID

2999882

Poids moléculaire

341.36

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Pyrrolines
      • Subclass Phenylpyrrolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyrrolines
• Subclass: Phenylpyrrolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyrrolines
• Alternative Parents: Pyrroline carboxylic acids and derivatives Aryl ketones Benzene and substituted derivatives Vinylogous acids Tertiary carboxylic acid amides Pyrroles Furans Heteroaromatic compounds Lactams Oxacyclic compounds Azacyclic compounds Dialkyl ethers Enols Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-phenylpyrroline - Aryl ketone - Pyrroline carboxylic acid or derivatives - Monocyclic benzene moiety - Benzenoid - Furan - Heteroaromatic compound - Pyrrole - Vinylogous acid - Tertiary carboxylic acid amide - Carboxamide group - Ketone - Lactam - Carboxylic acid derivative - Dialkyl ether - Enol - Ether - Oxacycle - Azacycle - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylpyrrolines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrroline ring through a CC or CN bond.
• 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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ALOX15 Tchem Arachidonate 15-lipoxygenase (7108 Activities)

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PIN1 Tchem Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (36611 Activities)

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FPR1 Tchem Formyl peptide receptor 1 (1372 Activities)

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GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)

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KDM4A Tchem Lysine-specific demethylase 4A (52245 Activities)

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ampC Beta-lactamase AmpC (62480 Activities)

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Plasmodium falciparum (966862 Activities)

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Npsr1 Neuropeptide S receptor (260 Activities)

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Impa1 Inositol monophosphatase 1 (16203 Activities)

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Mécanismes d'action

Propriétés chimiques et physiques

• DMSO (mM) Solubilité maximale: 10
• Poids moléculaire: 341.400 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 341.126 Da
• Monoisotopic Mass: 341.126 Da
• Topological Polar Surface Area: 80.000 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 538.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1