Aminoacyl tRNA synthetase-IN-1 - Moligand™, ≥98% , CAS No.219931-45-0

CAS: 219931-45-0 Cat. No.: A767156 Peso molecular: 459.48

GRADE & PURITY Moligand™, ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Aminoacyl tRNA synthetase-IN-1 is a bacterial aminoacyl tRNA synthetase (aaRS) inhibitor.

Specifications

Especificaciones y pureza

Moligand™, ≥98%

Mecanismos bioquímicos y fisiológicos

Aminoacyl tRNA synthetase-IN-1 is a bacterial aminoacyl tRNA synthetase ( aaRS ) inhibitor.

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.

Grado

Moligand™

Tipo de acción

INHIBITOR

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CCC(C)C(C(=O)NS(=O)(=O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O)N
• IUPAC Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl N-[(2S,3S)-2-amino-3-methylpentanoyl]sulfamate
• InChIKey: ADKZHDGLJXVNIT-VBJYJYTRSA-N
• INCHI: 1S/C16H25N7O7S/c1-3-7(2)9(17)15(26)22-31(27,28)29-4-8-11(24)12(25)16(30-8)23-6-21-10-13(18)19-5-20-14(10)23/h5-9,11-12,16,24-25H,3-4,17H2,1-2H3,(H,22,26)(H2,18,19,20)/t7-,8+,9-,11+,12+,16+/m0/s1
• Isómeros SMILES: CC[C@H](C)[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O)N
• Peso molecular: 459.48

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: Isoleucine and derivatives Glycosylamines 6-aminopurines Pentoses Aminopyrimidines and derivatives Imidolactams N-substituted imidazoles Oxolanes Heteroaromatic compounds Organic sulfuric acids and derivatives Secondary alcohols 1,2-diols Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Monoalkylamines
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Purine nucleoside - Isoleucine or derivatives - N-glycosyl compound - Glycosyl compound - 6-aminopurine - Alpha-amino acid or derivatives - Pentose monosaccharide - Imidazopyrimidine - Purine - Aminopyrimidine - Monosaccharide - N-substituted imidazole - Imidolactam - Pyrimidine - Imidazole - Heteroaromatic compound - Organic sulfuric acid or derivatives - Azole - Oxolane - Amino acid or derivatives - 1,2-diol - Secondary alcohol - Azacycle - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Organic nitrogen compound - Primary aliphatic amine - Organonitrogen compound - Carbonyl group - Organooxygen compound - Primary amine - Hydrocarbon derivative - Amine - Organic oxide - Alcohol - Organic oxygen 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

Propiedades químicas y físicas

• Solubilidad: DMSO : 65 mg/mL (141.46 mM; Need ultrasonic)
• Peso molecular: 459.500 g/mol
• XLogP3: -2.000
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 8
• Exact Mass: 459.154 Da
• Monoisotopic Mass: 459.154 Da
• Topological Polar Surface Area: 226.000 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 738.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 6
• 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