Acifran - Moligand™, ≥98% , Agonist of HCA 2 receptor;Agonist of HCA 3 receptor, CAS No.72420-38-3, Agonist of HCA 2 receptor;Agonist of HCA 3 receptor

CAS: 72420-38-3 Cat. No.: A288225 Peso molecular: 218.21

GRADE & PURITY Moligand™, ≥98%

Synonyms

Q15633960 | ACIFRAN | Acifran (+)-form [MI] | Acifran (USAN/INN) | HY-107579 | Acifran (-)-form [MI] | B1X701S0MV | ACIFRAN [INN] | ACIFRAN [USAN] | AY-25712 | (S)-1(3-Bromophenyl)ethanamine | 5-Methyl-4-oxo-5-phenyl-4,5-dihydro-furan-2-carboxylic acid |

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

Q15633960 | ACIFRAN | Acifran (+)-form [MI] | Acifran (USAN/INN) | HY-107579 | Acifran (-)-form [MI] | B1X701S0MV | ACIFRAN [INN] | ACIFRAN [USAN] | AY-25712 | (S)-1(3-Bromophenyl)ethanamine | 5-Methyl-4-oxo-5-phenyl-4, 5-dihydro-furan-2-carboxylic acid |

Especificaciones y pureza

Moligand™, ≥98%

Mecanismos bioquímicos y fisiológicos

Hypolipidemic agent. Exhibits higher potency than nicotinic acid and clofibrate. Full and potent agonist at the human orphan GPCR HM74A/GPR109A and GPR109B (EC50values are 1.3 and 4.2μM respectively). Reduces serum triglycerides and circulating LDL-choles

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

Mecanismo de acción

Agonist of HCA 2 receptor;Agonist of HCA 3 receptor

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CC1(C(=O)C=C(O1)C(=O)O)C2=CC=CC=C2
• IUPAC Name: 5-methyl-4-oxo-5-phenylfuran-2-carboxylic acid
• InChIKey: DFDGRKNOFOJBAJ-UHFFFAOYSA-N
• INCHI: 1S/C12H10O4/c1-12(8-5-3-2-4-6-8)10(13)7-9(16-12)11(14)15/h2-7H,1H3,(H,14,15)
• Isómeros SMILES: CC1(C(=O)C=C(O1)C(=O)O)C2=CC=CC=C2
• Peso molecular: 218.21
• Reaxy-Rn: 6480068
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6480068&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Dihydrofurans
      • Subclass Furanones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Dihydrofurans
• Subclass: Furanones
• Intermediate Tree Nodes: Not available
• Direct Parent: Furanones
• Alternative Parents: Benzene and substituted derivatives Vinylogous esters Cyclic ketones Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Monocyclic benzene moiety - 3-furanone - Benzenoid - Vinylogous ester - Ketone - Cyclic ketone - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Oxacycle - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as furanones. These are compounds containing a furan ring bearing 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

Objetivos asociados (humanos)

HCAR2 Tclin Hydroxycarboxylic acid receptor 2 (0 Activities)

Discover Target: HCAR2

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

HCAR3 Tchem Hydroxycarboxylic acid receptor 3 (0 Activities)

Discover Target: HCAR3

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

HCAR3 Tchem HM74 nicotinic acid GPCR (353 Activities)

Discover Target: HCAR3

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

Objetivos asociados (no humanos)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

Hcar2 Hydroxycarboxylic acid receptor 2 (55 Activities)

Discover Target: Hcar2

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

Rattus norvegicus (775804 Activities)

Explore this target

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Solvent:ethanol, Max Conc. mg/mL: 21.82, Max Conc. mM: 100; Solvent:DMSO, Max Conc. mg/mL: 21.82, Max Conc. mM: 100
• Peso molecular: 218.200 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 218.058 Da
• Monoisotopic Mass: 218.058 Da
• Topological Polar Surface Area: 63.600 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 352.000
• 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