Vonafexor - ≥98% , CAS No.1192171-69-9

CAS: 1192171-69-9 Cat. No.: V412598 Fórmula: C₁₉H₁₅Cl₃N₂O₅S Peso molecular: 489.76 PubChem CID: 67202717

CALIDAD & PUREZA ≥98%

Synonyms

BCP33693 | EYP001 | eyp-001 | HY-109197 | EX-A4037 | 2-Benzofurancarboxylic acid, 4-chloro-5-(4-((2,6-dichlorophenyl)sulfonyl)-1-piperazinyl)- | 2156704-25-3 | EYP001;EYP 001;EYP-001 | PLX007 | pxl007 | XG6DG6A1UN | VONAFEXOR [WHO-DD] | SCHEMBL1893285 | V

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Information

Vonafexor (EYP001, PLX007) is an agonist of farnesoid X receptor (FXR, NR1H4).

Especificaciones

Sinónimos

BCP33693 | EYP001 | eyp-001 | HY-109197 | EX-A4037 | 2-Benzofurancarboxylic acid, 4-chloro-5-(4-((2,6-dichlorophenyl)sulfonyl)-1-piperazinyl)- | 2156704-25-3 | EYP001;EYP 001;EYP-001 | PLX007 | pxl007 | XG6DG6A1UN | VONAFEXOR [WHO-DD] | SCHEMBL1893285 | V

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

Vonafexor (EYP001, PLX007) is an agonist of farnesoid X receptor (FXR, NR1H4).

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.

Pureza

≥98%

Nombres e identificadores

Pubchem Sid

504771881

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504771881

Sonrisas canónicas

C1CN(CCN1C2=C(C3=C(C=C2)OC(=C3)C(=O)O)Cl)S(=O)(=O)C4=C(C=CC=C4Cl)Cl

IUPAC Name

4-chloro-5-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-1-benzofuran-2-carboxylic acid

InChIKey

XLGQSYUNOIJBNR-UHFFFAOYSA-N

INCHI

1S/C19H15Cl3N2O5S/c20-12-2-1-3-13(21)18(12)30(27,28)24-8-6-23(7-9-24)14-4-5-15-11(17(14)22)10-16(29-15)19(25)26/h1-5,10H,6-9H2,(H,25,26)

Isómeros SMILES

C1CN(CCN1C2=C(C3=C(C=C2)OC(=C3)C(=O)O)Cl)S(=O)(=O)C4=C(C=CC=C4Cl)Cl

PubChem CID

67202717

Número ONU

3077

Grupo de embalaje

Ⅲ

Peso molecular

489.76

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: N-arylpiperazines
• Alternative Parents: Benzenesulfonamides Benzenesulfonyl compounds Benzofurans Dialkylarylamines Dichlorobenzenes Furoic acids Aryl chlorides Organosulfonamides Heteroaromatic compounds Sulfonyls Amino acids Azacyclic compounds Carboxylic acids Oxacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organooxygen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: N-arylpiperazine - Benzenesulfonamide - Benzenesulfonyl group - Benzofuran - Furoic acid or derivatives - Furoic acid - 1,3-dichlorobenzene - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Organosulfonic acid amide - Furan - Heteroaromatic compound - Organic sulfonic acid or derivatives - Sulfonyl - Organosulfonic acid or derivatives - Amino acid or derivatives - Amino acid - Tertiary amine - Oxacycle - Azacycle - Carboxylic acid derivative - Carboxylic acid - Organosulfur compound - Organic oxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as n-arylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries an aryl 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

Propiedades químicas y físicas

• Peso molecular: 489.800 g/mol
• XLogP3: 4.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 487.977 Da
• Monoisotopic Mass: 487.977 Da
• Topological Polar Surface Area: 99.400 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 733.000
• 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1192171-69-9, the molecular formula is C19H15Cl3N2O5S, and the molecular weight is 489.76 g/mol. InChIKey XLGQSYUNOIJBNR-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.