CHEBI:143113 - N-(5-{[(5-tert-butyl-1,3-oxazol-2-yl)methyl]sulfanyl}-1,3-thiazol-2-yl)tetrahydro-2H-pyran-4-carboxamide

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ChEBI Name N-(5-{[(5-tert-butyl-1,3-oxazol-2-yl)methyl]sulfanyl}-1,3-thiazol-2-yl)tetrahydro-2H-pyran-4-carboxamide
ChEBI ID CHEBI:143113
ChEBI ASCII Name N-(5-{[(5-tert-butyl-1,3-oxazol-2-yl)methyl]sulfanyl}-1,3-thiazol-2-yl)tetrahydro-2H-pyran-4-carboxamide
Definition A secondary carboxamide resulting from the formal condensation of the carboxy group of tetrahydro-2H-pyran-4-carboxylic acid with the amino group of 5-{[(5-tert-butyl-1,3-oxazol-2-yl)methyl]sulfanyl}-1,3-thiazol-2-amine. It is a CDK18 kinase inhibitor.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Tim Willson
Supplier Information
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Formula C17H23N3O3S2
Net Charge 0
Average Mass 381.510
Monoisotopic Mass 381.11808
InChI InChI=1S/C17H23N3O3S2/c1-17(2,3)12-8-18-13(23-12)10-24-14-9-19-16(25-14)20-15(21)11-4-6-22-7-5-11/h8-9,11H,4-7,10H2,1-3H3,(H,19,20,21)
InChIKey VCSNYLCSFYGQIN-UHFFFAOYSA-N
SMILES O=C(C1CCOCC1)NC2=NC=C(SCC3=NC=C(C(C)(C)C)O3)S2
Roles Classification
Biological Role(s): EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
An EC 2.7.11.* (protein-serine/threonine kinase) inhibitor that interferes with the action of cyclin-dependent kinase (EC 2.7.11.22).
(via N-(5-{[(5-tert-butyl-1,3-oxazol-2-yl)methyl]sulfanyl}-1,3-thiazol-2-yl)tetrahydro-2H-pyran-4-carboxamide )
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ChEBI Ontology
Outgoing N-(5-{[(5-tert-butyl-1,3-oxazol-2-yl)methyl]sulfanyl}-1,3-thiazol-2-yl)tetrahydro-2H-pyran-4-carboxamide (CHEBI:143113) has role EC 2.7.11.22 (cyclin-dependent kinase) inhibitor (CHEBI:82665)
N-(5-{[(5-tert-butyl-1,3-oxazol-2-yl)methyl]sulfanyl}-1,3-thiazol-2-yl)tetrahydro-2H-pyran-4-carboxamide (CHEBI:143113) is a 1,3-oxazoles (CHEBI:46812)
N-(5-{[(5-tert-butyl-1,3-oxazol-2-yl)methyl]sulfanyl}-1,3-thiazol-2-yl)tetrahydro-2H-pyran-4-carboxamide (CHEBI:143113) is a 1,3-thiazoles (CHEBI:38418)
N-(5-{[(5-tert-butyl-1,3-oxazol-2-yl)methyl]sulfanyl}-1,3-thiazol-2-yl)tetrahydro-2H-pyran-4-carboxamide (CHEBI:143113) is a organic sulfide (CHEBI:16385)
N-(5-{[(5-tert-butyl-1,3-oxazol-2-yl)methyl]sulfanyl}-1,3-thiazol-2-yl)tetrahydro-2H-pyran-4-carboxamide (CHEBI:143113) is a oxanes (CHEBI:46942)
N-(5-{[(5-tert-butyl-1,3-oxazol-2-yl)methyl]sulfanyl}-1,3-thiazol-2-yl)tetrahydro-2H-pyran-4-carboxamide (CHEBI:143113) is a secondary carboxamide (CHEBI:140325)
IUPAC Name
N-(5-{[(5-tert-butyl-1,3-oxazol-2-yl)methyl]sulfanyl}-1,3-thiazol-2-yl)tetrahydro-2H-pyran-4-carboxamide
Synonym Source
UNC-CAF-143 ChEBI
Last Modified
06 March 2019