N6-(2-Hydroxyethyl)adenosine - Moligand™,≥98% , CAS No.4338-48-1

CAS: 4338-48-1 Cat. No.: N650055 Peso molecular: 311.29 PubChem CID: 96124

GRADE & PURITY Moligand™, ≥98%

Synonyms

A855704 | MFCD00056977 | n-(2-hydroxyethyl)-9-pentofuranosyl-9h-purin-6-amine | DS-4131 | SCHEMBL899687 | 6-(2-Hydroxyethyl)amino-9-beta-D-ribofuranosylpurine | AC-32348 | PDSP2_001012 | (2R,3R,4S,5R)-2-(6-((2-Hydroxyethyl)amino)-9H-purin-9-yl)-5-(hydroxy

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

N6-(2-Hydroxyethyl)adenosine is a purine nucleoside analog. N6-(2-Hydroxyethyl)adenosine inhibits NF-κB/Smad signaling pathway, exhibits anti-hyperglycemia, antioxidant, antitumor and anti-inflammatory and insecticidal activities. N6-(2-Hydroxyethyl)adenosine is orally active

Specifications

Sinónimos

A855704 | MFCD00056977 | n-(2-hydroxyethyl)-9-pentofuranosyl-9h-purin-6-amine | DS-4131 | SCHEMBL899687 | 6-(2-Hydroxyethyl)amino-9-beta-D-ribofuranosylpurine | AC-32348 | PDSP2_001012 | (2R, 3R, 4S, 5R)-2-(6-((2-Hydroxyethyl)amino)-9H-purin-9-yl)-5-(hydroxy

Especificaciones y pureza

Moligand™, ≥98%

Mecanismos bioquímicos y fisiológicos

N6-(2-Hydroxyethyl)adenosine is a purine nucleoside analog. Purine nucleoside analogs have broad antitumor activity targeting indolent lymphoid malignancies. Anticancer mechanisms in this process rely on inhibition of DNA synthesis, induction of apoptosis

Condiciones de almacenamiento de almacenamiento

Protected from light, 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.

Grado

Moligand™

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)NCCO
• IUPAC Name: (2R,3R,4S,5R)-2-[6-(2-hydroxyethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
• InChIKey: BBOCDRLDMQHWJP-WOUKDFQISA-N
• INCHI: 1S/C12H17N5O5/c18-2-1-13-10-7-11(15-4-14-10)17(5-16-7)12-9(21)8(20)6(3-19)22-12/h4-6,8-9,12,18-21H,1-3H2,(H,13,14,15)/t6-,8-,9-,12-/m1/s1
• Isómeros SMILES: C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)NCCO
• PubChem CID: 96124
• Peso molecular: 311.29

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: 6-alkylaminopurines Glycosylamines Pentoses Secondary alkylarylamines Aminopyrimidines and derivatives Imidolactams N-substituted imidazoles Tetrahydrofurans Heteroaromatic compounds Secondary alcohols Alkanolamines Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Primary alcohols Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Purine nucleoside - Glycosyl compound - N-glycosyl compound - 6-alkylaminopurine - 6-aminopurine - Pentose monosaccharide - Imidazopyrimidine - Purine - Aminopyrimidine - Secondary aliphatic/aromatic amine - Monosaccharide - Imidolactam - N-substituted imidazole - Pyrimidine - Imidazole - Azole - Tetrahydrofuran - Heteroaromatic compound - Secondary alcohol - Alkanolamine - Organoheterocyclic compound - Oxacycle - Azacycle - Secondary amine - Organic nitrogen compound - Organonitrogen compound - Alcohol - Organic oxygen compound - Organooxygen compound - Organopnictogen compound - Amine - Hydrocarbon derivative - Primary alcohol - 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

• Peso molecular: 311.290 g/mol
• XLogP3: -1.100
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 5
• Exact Mass: 311.123 Da
• Monoisotopic Mass: 311.123 Da
• Topological Polar Surface Area: 146.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 378.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• 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