Cytosporone B - Moligand™, ≥98%(HPLC) , CAS No.321661-62-5

CAS: 321661-62-5 Cat. No.: C286575 Peso molecular: 322.4 Número EC: 663-384-4

GRADE & PURITY Moligand™, ≥98%(HPLC)

Synonyms

BRD-K86191271-001-01-9 | MFCD12912406 | SCHEMBL14900697 | DTXSID80443557 | C6H5NaO3S | WMA66162 | ethyl 2-[2-octanoyl-3,5-bis(oxidanyl)phenyl]ethanoate | Proparacaine hydrochloride [USP] | AS-16748 | GTPL5424 | 3,5-Dihydroxy-2-(1-oxooctyl)benzeneacetic ac

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

BRD-K86191271-001-01-9 | MFCD12912406 | SCHEMBL14900697 | DTXSID80443557 | C6H5NaO3S | WMA66162 | ethyl 2-[2-octanoyl-3, 5-bis(oxidanyl)phenyl]ethanoate | Proparacaine hydrochloride [USP] | AS-16748 | GTPL5424 | 3, 5-Dihydroxy-2-(1-oxooctyl)benzeneacetic ac

Especificaciones y pureza

Moligand™, ≥98%(HPLC)

Mecanismos bioquímicos y fisiológicos

Naturally occurring Nur77 (NR4A1) agonist (Kd= 8.52 x 10-7M). Induces apoptosis in gastric cancer cellsin vitro. Increases blood glucose levels in fasting C57 mice and suppresses xenograft tumor growth. Also exhibits a potent antifibrotic effect in bleomy

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Moligand™

Tipo de acción

AGONIST

Pureza

≥98%(HPLC)

Nombres e identificadores

• Pubchem Sid: 504765580
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765580
• Sonrisas canónicas: CCCCCCCC(=O)C1=C(C=C(C=C1O)O)CC(=O)OCC
• IUPAC Name: ethyl 2-(3,5-dihydroxy-2-octanoylphenyl)acetate
• InChIKey: UVVWQQKSNZLUQA-UHFFFAOYSA-N
• INCHI: 1S/C18H26O5/c1-3-5-6-7-8-9-15(20)18-13(11-17(22)23-4-2)10-14(19)12-16(18)21/h10,12,19,21H,3-9,11H2,1-2H3
• Isómeros SMILES: CCCCCCCC(=O)C1=C(C=C(C=C1O)O)CC(=O)OCC
• Peso molecular: 322.4
• Reaxy-Rn: 8718343
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8718343&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Phenylketones
              • Level8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Alkyl-phenylketones
• Alternative Parents: Butyrophenones Resorcinols Benzoyl derivatives Aryl alkyl ketones 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Butyrophenone - Benzoyl - Aryl alkyl ketone - Resorcinol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - Vinylogous acid - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl 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

Objetivos asociados (humanos)

NR4A1 Tchem Nuclear receptor subfamily 4 group A member 1 (2 Activities)

Discover Target: NR4A1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

BGC-823 (3035 Activities)

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HepG2 (196354 Activities)

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NCI-H460 (60772 Activities)

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LNCaP (8286 Activities)

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SW-620 (52400 Activities)

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

NR4A2 Tchem Nuclear receptor subfamily 4 group A member 2 (460 Activities)

Discover Target: NR4A2

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

NR4A1 Tchem Nuclear receptor subfamily 4 group A member 1 (458 Activities)

Discover Target: NR4A1

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

NR4A3 Tchem Nuclear receptor subfamily 4 group A member 3 (44 Activities)

Discover Target: NR4A3

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

HEK-293T (167025 Activities)

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Objetivos asociados (no humanos)

Staphylococcus aureus (210822 Activities)

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Mycobacterium tuberculosis (203094 Activities)

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Saccharomyces cerevisiae (19171 Activities)

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Mus musculus (284745 Activities)

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PC-12 (7051 Activities)

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NIH3T3 (5395 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Solvent:DMSO, Max Conc. mg/mL: 32.24, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 32.24, Max Conc. mM: 100
• Peso molecular: 322.400 g/mol
• XLogP3: 4.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 11
• Exact Mass: 322.178 Da
• Monoisotopic Mass: 322.178 Da
• Topological Polar Surface Area: 83.800 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 368.000
• 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