Salicyl-AMS - ≥98% , CAS No.863238-55-5

CAS: 863238-55-5 Cat. No.: S769789 Peso molecular: 466.43

GRADE & PURITY ≥98%

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Descripción general

Salicyl-AMS is a mycobactin biosynthesis inhibitor which can also inhibit M. tuberculosis growth in vitro under iron-limited conditions.

Specifications

Especificaciones y pureza

≥98%

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.

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: C1=CC=C(C(=C1)C(=O)NS(=O)(=O)OCC2C(C(C(O2)N3C=NC4=C(N=CN=C43)N)O)O)O
• InChIKey: SABYITLYKSVAAD-CNEMSGBDSA-N
• INCHI: 1S/C17H18N6O8S/c18-14-11-15(20-6-19-14)23(7-21-11)17-13(26)12(25)10(31-17)5-30-32(28,29)22-16(27)8-3-1-2-4-9(8)24/h1-4,6-7,10,12-13,17,24-26H,5H2,(H,22,27)(H2,18,19,20)/t10-,12-,13-,17-/m1/s1
• Isómeros SMILES: C1=CC=C(C(=C1)C(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)O)O
• Peso molecular: 466.43

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: Glycosylamines 6-aminopurines Salicylamides Pentoses Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Aminopyrimidines and derivatives Imidolactams N-substituted imidazoles Vinylogous acids Heteroaromatic compounds Tetrahydrofurans Organic sulfuric acids and derivatives 1,2-diols Amino acids and derivatives Secondary alcohols Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organopnictogen compounds Primary amines Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Purine nucleoside - Glycosyl compound - N-glycosyl compound - 6-aminopurine - Salicylamide - Salicylic acid or derivatives - Pentose monosaccharide - Purine - Benzoic acid or derivatives - Imidazopyrimidine - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Aminopyrimidine - Phenol - Pyrimidine - Monocyclic benzene moiety - Monosaccharide - Benzenoid - Imidolactam - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Vinylogous acid - Organic sulfuric acid or derivatives - Tetrahydrofuran - Secondary alcohol - Amino acid or derivatives - 1,2-diol - Organoheterocyclic compound - Azacycle - Oxacycle - Carboxylic acid derivative - Primary amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Alcohol - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Amine - 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

• Peso molecular: 466.400 g/mol
• XLogP3: -1.000
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 6
• Exact Mass: 466.091 Da
• Monoisotopic Mass: 466.091 Da
• Topological Polar Surface Area: 220.000 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 783.000
• 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