Ro26-4550 TFA , CAS No.1217448-66-2

CAS: 1217448-66-2 Cat. No.: R1433714 PubChem CID: 16760522

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Ro26-4550 TFA is a low micromolar antagonist of IL-2/IL-2Rα binding with an IC 50 value of 3 μM.

Specifications

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.

Nombres e identificadores

Sonrisas canónicas

COC(=O)C(CC1=CC=C(C=C1)C#CC2=CC=CC=C2)NC(=O)CC3CCCN(C3)C(=N)N.C(=O)(C(F)(F)F)O

IUPAC Name

methyl (2S)-2-[[2-[(3R)-1-carbamimidoylpiperidin-3-yl]acetyl]amino]-3-[4-(2-phenylethynyl)phenyl]propanoate;2,2,2-trifluoroacetic acid

InChIKey

BVMWPONRCOSTMK-RFPXDPOKSA-N

INCHI

1S/C26H30N4O3.C2HF3O2/c1-33-25(32)23(29-24(31)17-22-8-5-15-30(18-22)26(27)28)16-21-13-11-20(12-14-21)10-9-19-6-3-2-4-7-19;3-2(4,5)1(6)7/h2-4,6-7,11-14,22-23H,5,8,15-18H2,1H3,(H3,27,28)(H,29,31);(H,6,7)/t22-,23+;/m1./s1

Isómeros SMILES

COC(=O)[C@H](CC1=CC=C(C=C1)C#CC2=CC=CC=C2)NC(=O)C[C@H]3CCCN(C3)C(=N)N.C(=O)(C(F)(F)F)O

CAS alternativo

1217448-66-2,193744-04-6

PubChem CID

16760522

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Peptidomimetics
      • Subclass Hybrid peptides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Peptidomimetics
• Subclass: Hybrid peptides
• Intermediate Tree Nodes: Not available
• Direct Parent: Hybrid peptides
• Alternative Parents: Phenylalanine and derivatives Alpha amino acid esters N-acyl-alpha amino acids and derivatives Amphetamines and derivatives Fatty acid esters Piperidines Methyl esters Secondary carboxylic acid amides Guanidines Monocarboxylic acids and derivatives Azacyclic compounds Carboximidamides Hydrocarbon derivatives Carbonyl compounds Imines Organic oxides Organopnictogen compounds
• Molecular Framework: Not available
• Substituents: Hybrid peptide - Phenylalanine or derivatives - Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Amphetamine or derivatives - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Piperidine - Methyl ester - Carboxamide group - Carboxylic acid ester - Guanidine - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Carboximidamide - Monocarboxylic acid or derivatives - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Imine - Organic oxide - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as hybrid peptides. These are compounds containing at least two different types of amino acids (alpha, beta, gamma, delta) linked to each other through a peptide bond.
• 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