3-(4-amino-phenyl)-pyrrolidine-2,5-dione - ≥95% , CAS No.32856-49-8

CAS: 32856-49-8 Cat. No.: A478963 Peso molecular: 190.202 Número EC: 676-171-6

GRADE & PURITY ≥95%

Synonyms

AKOS006343465 | WSP-3 | 3-(4-Aminophenyl)-2,5-pyrrolidinedione | FT-0691904 | PD180900 | MFCD00874533 | WSP 3 | BDBM50025154 | DTXSID30954507 | SCHEMBL3274268 | 3-(4-Aminophenyl)-5-hydroxy-3,4-dihydro-2H-pyrrol-2-one | 3-(4-amino-phenyl)-pyrrolidine-2,5-d

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

AKOS006343465 | WSP-3 | 3-(4-Aminophenyl)-2, 5-pyrrolidinedione | FT-0691904 | PD180900 | MFCD00874533 | WSP 3 | BDBM50025154 | DTXSID30954507 | SCHEMBL3274268 | 3-(4-Aminophenyl)-5-hydroxy-3, 4-dihydro-2H-pyrrol-2-one | 3-(4-amino-phenyl)-pyrrolidine-2, 5-d

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

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

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 504757515
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504757515
• Sonrisas canónicas: C1C(C(=O)NC1=O)C2=CC=C(C=C2)N
• IUPAC Name: 3-(4-aminophenyl)pyrrolidine-2,5-dione
• InChIKey: AFLGSUFOCCZEEZ-UHFFFAOYSA-N
• INCHI: 1S/C10H10N2O2/c11-7-3-1-6(2-4-7)8-5-9(13)12-10(8)14/h1-4,8H,5,11H2,(H,12,13,14)
• Isómeros SMILES: C1C(C(=O)NC1=O)C2=CC=C(C=C2)N
• Peso molecular: 190.202
• Reaxy-Rn: 394328
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=394328&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyrrolidines
      • Subclass Phenylpyrrolidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyrrolidines
• Subclass: Phenylpyrrolidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyrrolidines
• Alternative Parents: Aniline and substituted anilines Pyrrolidine-2-ones Pyrroles N-unsubstituted carboxylic acid imides Dicarboximides Lactams Amino acids and derivatives Azacyclic compounds Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 3-phenylpyrrolidine - Aniline or substituted anilines - Monocyclic benzene moiety - Benzenoid - 2-pyrrolidone - Pyrrolidone - Carboxylic acid imide - Dicarboximide - Pyrrole - Carboxylic acid imide, n-unsubstituted - Amino acid or derivatives - Lactam - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Primary amine - Amine - Organopnictogen compound - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organic oxide - Organooxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylpyrrolidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrolidine ring through a CC or CN bond. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
• 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)

CYP11A1 Tclin Cytochrome P450 11A1 (1 Activities)

Discover Target: CYP11A1

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

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 190.200 g/mol
• XLogP3: 0.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 190.074 Da
• Monoisotopic Mass: 190.074 Da
• Topological Polar Surface Area: 72.200 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 257.000
• 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