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CHEBI:156210 - (S)-3-{[5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl](methyl)amino}propane-1,2-diol

ChEBI IDCHEBI:156210
ChEBI Name(S)-3-{[5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl](methyl)amino}propane-1,2-diol
Stars
ASCII Name(S)-3-{[5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl](methyl)amino}propane-1,2-diol
DefinitionA pyrazolopyrimidine that is pyrazolo[1,5-a]pyrimidine carrying a methoxymethyl substituent at C-5 and a [(2S)-2,3-dihydroxypropyl](methyl)amino group at C-7. One of a series of mucosal-associated invariant T (MAIT) cell agonists.
Last Modified17 July 2020
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC12H18N4O3
Net Charge0
Average Mass266.301
Monoisotopic Mass266.13789
SMILESCOCc1cc(N(C)C[C@H](O)CO)n2nccc2n1
InChIInChI=1S/C12H18N4O3/c1-15(6-10(18)7-17)12-5-9(8-19-2)14-11-3-4-13-16(11)12/h3-5,10,17-18H,6-8H2,1-2H3/t10-/m0/s1
InChIKeyOQKZSPYCAJEFOM-JTQLQIEISA-N
Roles Classification
Biological Role:
MAIT cell agonist  An agonist that selectively binds to and activates mucosal associated invariant T cells (MAIT cells).
ChEBI Ontology
Outgoing Relation(s)
(S)-3-{[5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl](methyl)amino}propane-1,2-diol (CHEBI:156210) has role MAIT cell agonist (CHEBI:156211)
(S)-3-{[5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl](methyl)amino}propane-1,2-diol (CHEBI:156210) is a pyrazolopyrimidine (CHEBI:38669)
IUPAC Name 
(2S)-3-{[5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl](methyl)amino}propane-1,2-diol
Synonyms  Source
(S)-3-((5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl)(methyl)amino)propane-1,2-diolChEBI
DB07ChEBI
DB7ChEBI
DB-7ChEBI
Citations