S-(5'-Adenosyl)-L-methionine p-toluenesulfonate salt - ≥97% , CAS No.52248-03-0

CAS: 52248-03-0 Cat. No.: R341484 Molecular Weight: 570.64 PubChem CID: 10153079

GRADE & PURITY ≥97%

Synonyms

S-Adenosyl-L-methionine tosylate | S-(5'-Adenosyl)-L-methionine p-toluenesulfonate salt | J-010755 | R,S-(5'-Adenosyl)-L-methionine p-toluenesulfonate salt | AdoMet | S-Adenosyl methionine tosylate;Ademetionine tosylate;AdoMet tosylate | S-(5'-Adenosyl)-L

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

S-(5'-Adenosyl)-L-methionine p-toluenesulfonate salt is a methyl donor and cofactor for enzyme-catalyzed methylations, including catechol O-methyltransferase (COMT) and DNA methyltransferases (DNMT). While present in all cells, S-(5'-Adenosyl)-L-methionine p-toluenesulfonate salt is concentrated in cells liver where 85% of all methylation reactions occur.

Product description：

S-(5′-Adenosyl)-L-methionine p-toluenesulfonate salt is used for the treatment of depression, liver cirrhosis, cholestasis and degenerative joint disease

Application：

S-(5′-Adenosyl)-L-methionine p-toluenesulfonate salt has been used for cell proliferation assay.[2] It has also been used for methylation assay

Specifications

Synonyms

S-Adenosyl-L-methionine tosylate | S-(5'-Adenosyl)-L-methionine p-toluenesulfonate salt | J-010755 | R, S-(5'-Adenosyl)-L-methionine p-toluenesulfonate salt | AdoMet | S-Adenosyl methionine tosylate;Ademetionine tosylate;AdoMet tosylate | S-(5'-Adenosyl)-L

Specifications & Purity

≥97%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504765285
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765285
• Canonical Smiles: CC1=CC=C(C=C1)S(=O)(=O)[O-].C[S+](CCC(C(=O)O)N)CC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O
• IUPAC Name: [(3S)-3-amino-3-carboxypropyl]-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-methylsulfanium;4-methylbenzenesulfonate
• InChIKey: VHPOFDUCFKOUHV-XKGORWRGSA-N
• INCHI: 1S/C15H22N6O5S.C7H8O3S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21;1-6-2-4-7(5-3-6)11(8,9)10/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25);2-5H,1H3,(H,8,9,10)/t7-,8+,10+,11+,14+,27?;/m0./s1
• Isomeric SMILES: CC1=CC=C(C=C1)S(=O)(=O)[O-].C[S+](CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O
• PubChem CID: 10153079
• Molecular Weight: 570.64

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Nucleosides, nucleotides, and analogues
    • Class 5'-deoxyribonucleosides
      • Subclass 5'-deoxy-5'-thionucleosides

• Kingdom: Organic compounds
• Superclass: Nucleosides, nucleotides, and analogues
• Class: 5'-deoxyribonucleosides
• Subclass: 5'-deoxy-5'-thionucleosides
• Intermediate Tree Nodes: Not available
• Direct Parent: 5'-deoxy-5'-thionucleosides
• Alternative Parents: Methionine and derivatives p-Methylbenzenesulfonates Glycosylamines Tosyl compounds L-alpha-amino acids 6-aminopurines Pentoses 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Aminopyrimidines and derivatives Thia fatty acids Hydroxy fatty acids N-substituted imidazoles Imidolactams Organosulfonic acids Heteroaromatic compounds Oxolanes Sulfonyls 1,2-diols Amino acids Secondary alcohols Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Monoalkylamines Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic zwitterions
• Molecular Framework: Not available
• Substituents: 5'-deoxy-5'-thionucleoside - Methionine or derivatives - Glycosyl compound - N-glycosyl compound - P-methylbenzenesulfonate - 6-aminopurine - Alpha-amino acid - Alpha-amino acid or derivatives - Pentose monosaccharide - L-alpha-amino acid - Benzenesulfonate - Tosyl compound - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Imidazopyrimidine - Purine - 1-sulfo,2-unsubstituted aromatic compound - Aminopyrimidine - Toluene - Thia fatty acid - Hydroxy fatty acid - Fatty acyl - Imidolactam - Benzenoid - Monocyclic benzene moiety - Monosaccharide - N-substituted imidazole - Pyrimidine - Heteroaromatic compound - Azole - Sulfonyl - Organosulfonic acid - Imidazole - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Oxolane - Amino acid or derivatives - Secondary alcohol - 1,2-diol - Amino acid - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Amine - Organic nitrogen compound - Carbonyl group - Organic oxide - Organic zwitterion - Alcohol - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Primary aliphatic amine - Hydrocarbon derivative - Primary amine - Organic oxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 5'-deoxy-5'-thionucleosides. These are 5'-deoxyribonucleosides in which the ribose is thio-substituted at the 5'position by a S-alkyl group.
• 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

Chemical and Physical Properties

• Solubility: Soluble in Water: 100 mg/mL
• Melt Point(°C): 70-90° C
• Molecular Weight: 570.600 g/mol
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 7
• Exact Mass: 570.157 Da
• Monoisotopic Mass: 570.157 Da
• Topological Polar Surface Area: 249.000 Ų
• Heavy Atom Count: 38
• Formal Charge: 0
• Complexity: 726.000
• 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: 2

XLogP3