MTP

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

Created:	2003-06-23
Last modified:	2021-03-01

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4 entries where MTP is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	34
Chiral Atom Count	4
Bond Count	36
Aromatic Bond Count	10

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Chemical Component Summary
Name	2-HYDROXYMETHYL-5-(6-METHYLSULFANYL-PURIN-9-YL)-TETRAHYDRO-FURAN-3,4-DIOL
Synonyms	9-BETA-D-RIBOFURANOSYL-6-METHYLTHIOPURINE
Systematic Name (OpenEye OEToolkits)	(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-methylsulfanylpurin-9-yl)oxolane-3,4-diol
Formula	C₁₁ H₁₄ N₄ O₄ S
Molecular Weight	298.318
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	n2c1c(ncnc1SC)n(c2)C3OC(C(O)C3O)CO
SMILES	CACTVS	3.341	CSc1ncnc2n(cnc12)[CH]3O[CH](CO)[CH](O)[CH]3O
SMILES	OpenEye OEToolkits	1.5.0	CSc1c2c(ncn1)n(cn2)C3C(C(C(O3)CO)O)O
Canonical SMILES	CACTVS	3.341	CSc1ncnc2n(cnc12)[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O
Canonical SMILES	OpenEye OEToolkits	1.5.0	CSc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI	InChI	1.03	InChI=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
InChIKey	InChI	1.03	ZDRFDHHANOYUTE-IOSLPCCCSA-N

Drug Info: DrugBank

DrugBank ID	DB02896
Name	Methylthioinosine
Groups	experimental
Description	An analog of inosine with a methylthio group replacing the hydroxyl group in the 6-position.
Synonyms	6-MMPR 6-(Methylthio)purine ribonucleoside 6-methylmercaptopurine ribonucleoside Me6MPR MMPR 6-methylthiopurine riboside 6-methyl MP-riboside Methylthioinosine 6-methyl-9-ribofuranosylpurine-6-thiol 6-methyl MP riboside methylmercaptopurine riboside 6-S-methyl-6-thioinosine 6-Methylmercaptopurine-riboside 6-methylthioinosine 6-methylmercaptopurine riboside
Categories	Heterocyclic Compounds, Fused-Ring Nucleic Acids, Nucleotides, and Nucleosides Nucleosides Purine Nucleosides Purines Ribonucleosides Sulfur Compounds Thioinosine Thionucleosides
CAS number	342-69-8

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Purine nucleoside phosphorylase DeoD-type	MATPHINAEMGDFADVVLMPGDPLRAKYIAETFLEDAREVNNVRGMLGFT...	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