Gln-AMS - ≥99% , CAS No.209543-57-7

CAS: 209543-57-7 Cat. No.: G647393 Peso molecular: 474.45 PubChem CID: 445432

GRADE & PURITY ≥99%

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Descripción general

Gln-AMS is an aminoacyl-tRNA synthetases (AARS) inhibitor, which binds the A-domain within the NRPS enzymes.

Form:Solid

Specifications

Especificaciones y pureza

≥99%

Mecanismos bioquímicos y fisiológicos

Gln-AMS is an aminoacyl-tRNA synthetases (AARS) inhibitor, which binds the A-domain within the NRPS enzymes.

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Desiccated

Enviado en

Ice chest + Ice pads

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

Tipo de acción

INHIBITOR

Pureza

≥99%

Nombres e identificadores

• Sonrisas canónicas: C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COS(=O)(=O)NC(=O)C(CCC(=O)N)N)O)O)N
• IUPAC Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl N-[(2S)-2,5-diamino-5-oxopentanoyl]sulfamate
• InChIKey: KXWKSWRGZLZHEF-WERHYGNASA-N
• INCHI: 1S/C15H22N8O8S/c16-6(1-2-8(17)24)14(27)22-32(28,29)30-3-7-10(25)11(26)15(31-7)23-5-21-9-12(18)19-4-20-13(9)23/h4-7,10-11,15,25-26H,1-3,16H2,(H2,17,24)(H,22,27)(H2,18,19,20)/t6-,7+,10+,11+,15+/m0/s1
• Isómeros SMILES: C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CCC(=O)N)N)O)O)N
• PubChem CID: 445432
• Peso molecular: 474.45

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Nucleosides, nucleotides, and analogues
    • Clase Purine nucleosides

• Kingdom: Organic compounds
• Superclass: Nucleosides, nucleotides, and analogues
• Clase: Purine nucleosides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Purine nucleosides
• Alternative Parents: Glutamine and derivatives Glycosylamines 6-aminopurines Pentoses Aminopyrimidines and derivatives Fatty amides Imidolactams N-substituted imidazoles Tetrahydrofurans Heteroaromatic compounds Organic sulfuric acids and derivatives Secondary alcohols Primary carboxylic acid amides 1,2-diols Oxacyclic compounds Azacyclic compounds Monoalkylamines Hydrocarbon derivatives Carbonyl compounds Organic oxides Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Purine nucleoside - Glutamine or derivatives - Glycosyl compound - N-glycosyl compound - 6-aminopurine - Alpha-amino acid or derivatives - Pentose monosaccharide - Purine - Imidazopyrimidine - Aminopyrimidine - N-substituted imidazole - Monosaccharide - Fatty amide - Pyrimidine - Fatty acyl - Imidolactam - Azole - Organic sulfuric acid or derivatives - Tetrahydrofuran - Heteroaromatic compound - Imidazole - 1,2-diol - Amino acid or derivatives - Carboxamide group - Secondary alcohol - Primary carboxylic acid amide - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Oxacycle - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Alcohol - Carbonyl group - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Primary aliphatic amine - Amine - Primary amine - Organooxygen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as purine nucleosides. These are compounds comprising a purine base attached to a ribosyl or deoxyribosyl moiety.
• 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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: DMSO : 120 mg/mL (252.92 mM; Need ultrasonic)
• Peso molecular: 474.500 g/mol
• XLogP3: -4.500
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 9
• Exact Mass: 474.128 Da
• Monoisotopic Mass: 474.128 Da
• Topological Polar Surface Area: 269.000 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 797.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 5
• 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