YYA-021 - ≥98% , CAS No.144217-65-2

CAS: 144217-65-2 Cat. No.: Y338798 Fórmula: C₁₈H₂₇N₃O₂ Peso molecular: 317.43 PubChem CID: 3107635

GRADE & PURITY ≥98%

Synonyms

YYA 021 | N1-(4-Methylphenyl)-N2-(2,2,6,6-tetramethyl-4-piperidinyl)ethanediamide | N-(4-Methylphenyl)-N'-(2,2,6,6-tetramethyl-4-piperidinyl)ethanediamide

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

YYA-021 is a small-molecule CD4 mimic that inhibits HIV entry, with high anti-HIV activity and low cytotoxicity.

Specifications

Sinónimos

YYA 021 | N1-(4-Methylphenyl)-N2-(2,2,6,6-tetramethyl-4-piperidinyl)ethanediamide | N-(4-Methylphenyl)-N'-(2,2,6,6-tetramethyl-4-piperidinyl)ethanediamide

Especificaciones y pureza

≥98%

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: 528768545
• Sonrisas canónicas: CC1=CC=C(C=C1)NC(=O)C(=O)NC2CC(NC(C2)(C)C)(C)C
• IUPAC Name: N'-(4-methylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
• InChIKey: AYAGJQPDCPRMNG-UHFFFAOYSA-N
• INCHI: 1S/C18H27N3O2/c1-12-6-8-13(9-7-12)19-15(22)16(23)20-14-10-17(2,3)21-18(4,5)11-14/h6-9,14,21H,10-11H2,1-5H3,(H,19,22)(H,20,23)
• Isómeros SMILES: CC1=CC=C(C=C1)NC(=O)C(=O)NC2CC(NC(C2)(C)C)(C)C
• PubChem CID: 3107635
• Peso molecular: 317.43

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Alpha amino acid amides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Alpha amino acid amides
• Alternative Parents: Anilides N-arylamides Toluenes Piperidines Secondary carboxylic acid amides Dialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alpha-amino acid amide - Anilide - N-arylamide - Toluene - Monocyclic benzene moiety - Piperidine - Benzenoid - Carboxamide group - Secondary carboxylic acid amide - Secondary amine - Secondary aliphatic amine - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Amine - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids.
• 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 (no humanos)

Rattus norvegicus (775804 Activities)

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Human immunodeficiency virus 1 (70413 Activities)

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Rhesus monkey (3147 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: DMSO: 50 mg/mL (157.52 mM), Need ultrasonic；H2O: < 0.1 mg/mL (insoluble)
• Peso molecular: 317.400 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 317.21 Da
• Monoisotopic Mass: 317.21 Da
• Topological Polar Surface Area: 70.200 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 435.000
• 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