WAY-324924 - 10mM in DMSO , CAS No.194282-66-1

CAS: 194282-66-1 Cat. No.: W422372 Formule: C₁₈H₁₆ClNO₆ Poids moléculaire: 377.78 PubChem CID: 5110957

QUALITÉ & PURETÉ 10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Vue d’ensemble

anti-bacterial agent

Spécifications

Spécifications et pureté

10mM in DMSO

Conditions de stockage de stockage

Store at -80°C

Expédié en

Dry ice packs + Cold packs

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

Noms et identifiants

Pubchem Sid

528767929

Sourires canoniques

CCOC(=O)C1=C(OC2=C(C1C3=CC=C(C=C3)Cl)OC(=CC2=O)CO)N

IUPAC Name

ethyl 2-amino-4-(4-chlorophenyl)-6-(hydroxymethyl)-8-oxo-4H-pyrano[3,2-b]pyran-3-carboxylate

InChIKey

PZMAVCPAPLFDKJ-UHFFFAOYSA-N

INCHI

1S/C18H16ClNO6/c1-2-24-18(23)14-13(9-3-5-10(19)6-4-9)16-15(26-17(14)20)12(22)7-11(8-21)25-16/h3-7,13,21H,2,8,20H2,1H3

Isomères SMILES

CCOC(=O)C1=C(OC2=C(C1C3=CC=C(C=C3)Cl)OC(=CC2=O)CO)N

PubChem CID

5110957

Poids moléculaire

377.78

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Pyrans
      • Subclass Pyranones and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyrans
• Subclass: Pyranones and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyranones and derivatives
• Alternative Parents: Chlorobenzenes Aryl chlorides Vinylogous esters Vinylogous amides Enoate esters Heteroaromatic compounds Ketene acetals Oxacyclic compounds Monocarboxylic acids and derivatives Monoalkylamines Hydrocarbon derivatives Organic oxides Organochlorides Organopnictogen compounds Carbonyl compounds Primary alcohols Aromatic alcohols
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Chlorobenzene - Halobenzene - Pyranone - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous amide - Vinylogous ester - Carboxylic acid ester - Ketene acetal or derivatives - Oxacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organopnictogen compound - Organochloride - Organohalogen compound - Organonitrogen compound - Primary aliphatic amine - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Primary alcohol - Alcohol - Carbonyl group - Organic nitrogen compound - Aromatic alcohol - Organic oxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as pyranones and derivatives. These are compounds containing a pyran ring which bears a ketone.
• 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

Cibles associées (humaines)

GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)

Discover Target: GLP1R

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HepG2 (196354 Activities)

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

Discover Target: GNAS

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

POLI Tchem DNA polymerase iota (116820 Activities)

Discover Target: POLI

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

KMT2A Tchem Histone-lysine N-methyltransferase MLL (17327 Activities)

Discover Target: KMT2A

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

RAPGEF4 Tchem Rap guanine nucleotide exchange factor 4 (11476 Activities)

Discover Target: RAPGEF4

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

Cibles associées (non humaines)

Plasmodium falciparum (966862 Activities)

Explore this target

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Mécanismes d'action

Propriétés chimiques et physiques

• Poids moléculaire: 377.800 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 377.067 Da
• Monoisotopic Mass: 377.067 Da
• Topological Polar Surface Area: 108.000 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 702.000
• 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