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2-HYDROXYMETHYL-5-(6-METHYLSULFANYL-PURIN-9-YL)-TETRAHYDRO-FURAN-3,4-DIOL


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Chemical Component Summary

Name2-HYDROXYMETHYL-5-(6-METHYLSULFANYL-PURIN-9-YL)-TETRAHYDRO-FURAN-3,4-DIOL
Synonyms9-BETA-D-RIBOFURANOSYL-6-METHYLTHIOPURINE
Identifiers(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-methylsulfanylpurin-9-yl)oxolane-3,4-diol
FormulaC11 H14 N4 O4 S
Molecular Weight298.318
TypeNON-POLYMER
Isomeric SMILESCSc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChIInChI=1S/C11H14N4O4S/c1-20-10-6-9(12-3-13-10)15(4-14-6)11-8(18)7(17)5(2-16)19-11/h3-5,7-8,11,16-18H,2H2,1H3/t5-,7-,8-,11-/m1/s1
InChIKeyZDRFDHHANOYUTE-IOSLPCCCSA-N

Chemical Details

Formal Charge0
Atom Count34
Chiral Atom Count4
Bond Count36
Aromatic Bond Count10

Drug Info: DrugBank

DrugBank IDDB02896 
NameMethylthioinosine
Groups experimental
DescriptionAn analog of inosine with a methylthio group replacing the hydroxyl group in the 6-position.
Synonyms
  • Me6MPR
  • 6-methyl-9-ribofuranosylpurine-6-thiol
  • 6-methylmercaptopurine ribonucleoside
  • Methylthioinosine
  • 6-S-methyl-6-thioinosine
Categories
  • Heterocyclic Compounds, Fused-Ring
  • Nucleic Acids, Nucleotides, and Nucleosides
  • Nucleosides
  • Purine Nucleosides
  • Purines
CAS number342-69-8

Drug Targets

NameTarget SequencePharmacological ActionActions
Purine nucleoside phosphorylase DeoD-typeMATPHINAEMGDFADVVLMPGDPLRAKYIAETFLEDAREVNNVRGMLGFT...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 9570
ChEMBL CHEMBL388931
ChEBI CHEBI:44081
CCDC/CSD MSPURI, MSPURI01