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Moligand™, ≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
2-MeS-ATP (2-Methylthio-ATP) is an analog of adenosine nucleotides, serving specifically as an agonist for P2Y purinergic receptors (P2Y purinergic receptor). This compound also inhibits the release of toxic mediators by macrophages stimulated by lipopolysaccharides (LPS). It is utilized in research related to endotoxic shock and inflammatory diseases.
| 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 |
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| IUPAC Name | [[(2R,3S,4R,5R)-5-(6-amino-2-methylsulfanylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate |
| InChIKey | XNOBOKJVOTYSJV-KQYNXXCUSA-N |
| INCHI | 1S/C11H18N5O13P3S/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)/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 |
| Alternate CAS | 43170-89-4 |
| MeSH Entry Terms | 2-MeSATP;2-methyl-thio-ATP;2-methylthio-adenosine 5'-triphosphate;2-methylthio-adenosine-5'-triphosphate;2-methylthio-ATP;2-methylthioadenosine 5'-triphosphate;2MeSATP;MeSATP cpd |
| Molecular Weight | 553.27 |
| Reaxy-Rn | 6033938 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6033938&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| 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 Monoalkyl phosphates N-substituted imidazoles Imidolactams Oxolanes Heteroaromatic compounds Secondary alcohols 1,2-diols Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Organic oxides Primary amines Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Purine ribonucleoside triphosphate - Purine ribonucleoside monophosphate - Pentose phosphate - Pentose-5-phosphate - Glycosyl compound - N-glycosyl compound - 6-aminopurine - Monosaccharide phosphate - Pentose monosaccharide - Imidazopyrimidine - Purine - Aryl thioether - Aminopyrimidine - Alkylarylthioether - Monoalkyl phosphate - Pyrimidine - Alkyl phosphate - Imidolactam - Phosphoric acid ester - Monosaccharide - N-substituted imidazole - Organic phosphoric acid derivative - Azole - Imidazole - Heteroaromatic compound - Oxolane - Secondary alcohol - 1,2-diol - Sulfenyl compound - Thioether - Organoheterocyclic compound - Azacycle - Oxacycle - Hydrocarbon derivative - Alcohol - Organic oxide - Organic oxygen compound - Primary amine - Amine - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen 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 |
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| Molecular Weight | 553.280 g/mol |
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| XLogP3 | -4.900 |
| Hydrogen Bond Donor Count | 7 |
| Hydrogen Bond Acceptor Count | 18 |
| Rotatable Bond Count | 9 |
| Exact Mass | 552.983 Da |
| Monoisotopic Mass | 552.983 Da |
| Topological Polar Surface Area | 304.000 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 853.000 |
| 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 |
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