2-Methylthioadenosine triphosphate tetrasodium salt - ≥98%(HPLC) , CAS No.100020-57-3

CAS: 100020-57-3 Cat. No.: M288493 Molecular Weight: 641.2

GRADE & PURITY ≥98%(HPLC)

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, >

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

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

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Action Type

ACTIVATOR

Purity

≥98%(HPLC)

Names and Identifiers

• Canonical 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+]
• IUPAC Name: tetrasodium;[[[(2R,3S,4R,5R)-5-(6-amino-2-methylsulfanylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate
• InChIKey: UEEFBRHXFDJPTA-KWIZKVQNSA-J
• 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
• 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=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Nucleosides, nucleotides, and analogues
    • Class Purine nucleotides
      • Subclass Purine ribonucleotides

• 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.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

P2RY1 Tchem Purinergic receptor P2Y1 (1327 Activities)

Discover Target: P2RY1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

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
• 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

XLogP3