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2-Methylthioadenosine triphosphate tetrasodium salt - ≥98%(HPLC), high purity , CAS No.100020-57-3
Basic Description
Synonyms
2-Methylthioadenosine-5'-triphosphatetetrasodiumsalt | DTXSID501019067 | 2-(Methylthio)adenosine 5'-triphosphate tetrasodium salt | 2-Methylthioadenosine triphosphate tetrasodium | 2-(Methylthio)adenosine 5'-triphosphate tetrasodium salt hydrate, solid, >
Specifications & Purity
≥98%(HPLC)
Biochemical and Physiological Mechanisms
P2 purinoceptor agonist.
Storage Temp
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Nucleosides, nucleotides, and analogues
Class
Purine nucleotides
Subclass
Purine ribonucleotides
Intermediate Tree Nodes
Not available
Direct Parent
Purine ribonucleoside triphosphates
Alternative Parents
Purine ribonucleoside monophosphates Pentose phosphates Glycosylamines 6-aminopurines Monosaccharide phosphates Alkylarylthioethers Aminopyrimidines and derivatives Alkyl phosphates Imidolactams N-substituted imidazoles Oxolanes Heteroaromatic compounds 1,2-diols Secondary alcohols Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Organic zwitterions Hydrocarbon derivatives Primary amines Organic sodium salts Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Purine ribonucleoside triphosphate - Purine ribonucleoside monophosphate - Pentose-5-phosphate - Pentose phosphate - Glycosyl compound - N-glycosyl compound - 6-aminopurine - Pentose monosaccharide - Monosaccharide phosphate - Imidazopyrimidine - Purine - Aryl thioether - Aminopyrimidine - Alkylarylthioether - Alkyl phosphate - Monosaccharide - Pyrimidine - N-substituted imidazole - Organic phosphoric acid derivative - Phosphoric acid ester - Imidolactam - Imidazole - Oxolane - Heteroaromatic compound - Azole - Secondary alcohol - 1,2-diol - Thioether - Sulfenyl compound - Organoheterocyclic compound - Organic alkali metal salt - Azacycle - Oxacycle - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Primary amine - Organic zwitterion - Organic salt - Organic sodium salt - Hydrocarbon derivative - Organic oxide - Amine - Alcohol - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as purine ribonucleoside triphosphates. These are purine ribobucleotides with a triphosphate group linked to the ribose 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.
Associated Targets(Human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
tetrasodium;[[[(2R,3S,4R,5R)-5-(6-amino-2-methylsulfanylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate
INCHI
InChI=1S/C11H18N5O13P3S.4Na/c1-33-11-14-8(12)5-9(15-11)16(3-13-5)10-7(18)6(17)4(27-10)2-26-31(22,23)29-32(24,25)28-30(19,20)21;;;;/h3-4,6-7,10,17-18H,2H2,1H3,(H,22,23)(H,24,25)(H2,12,14,15)(H2,19,20,21);;;;/q;4*+1/p-4/t4-,6-,7-,10-;;;;/m1..../s1
InChIKey
UEEFBRHXFDJPTA-KWIZKVQNSA-J
Smiles
CSC1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O)O)N.[Na+].[Na+].[Na+].[Na+]
Isomeric SMILES
CSC1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O)O)N.[Na+].[Na+].[Na+].[Na+]
Molecular Weight
641.2
Reaxy-Rn
25691426
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=25691426&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Soluble in water (supplied pre-dissolved at a concentration of 10mM)
Sensitivity
Moisture sensitive
Molecular Weight
641.200 g/mol
XLogP3
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
18
Rotatable Bond Count
8
Exact Mass
640.911 Da
Monoisotopic Mass
640.911 Da
Topological Polar Surface Area
316.000 Ų
Heavy Atom Count
37
Formal Charge
0
Complexity
825.000
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
5
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