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CHEBI:139128 - OSMI-1

ChEBI IDCHEBI:139128
ChEBI NameOSMI-1
Stars
DefinitionA sulfonamide resulting from the formal condensation of the sulfonic acid group of 2-oxo-1,2-dihydroquinoline-6-sulfonic acid with the primary amino group of (2R)-2-amino-N-(2-furylmethyl)-2-(2-methoxyphenyl)-N-(2-thienylmethyl)acetamide. OSMI-1 is a cell permeable inhibitor of O-linked β-N-acetylglucosamine transferase (O-GlcNAc transferase, OGT).
Last Modified7 March 2018
Submittersabrina, zfin
DownloadsMolfile
FormulaC28H25N3O6S2
Net Charge0
Average Mass563.657
Monoisotopic Mass563.11848
SMILESCOc1ccccc1[C@@H](NS(=O)(=O)c1ccc2nc(=O)ccc2c1)C(=O)N(Cc1ccco1)Cc1cccs1
InChIInChI=1S/C28H25N3O6S2/c1-36-25-9-3-2-8-23(25)27(28(33)31(17-20-6-4-14-37-20)18-21-7-5-15-38-21)30-39(34,35)22-11-12-24-19(16-22)10-13-26(32)29-24/h2-16,27,30H,17-18H2,1H3,(H,29,32)/t27-/m1/s1
InChIKeyIYIGLWQQAMROOF-HHHXNRCGSA-N
Roles Classification
Biological Roles:
EC 2.* (transferase) inhibitor  An enzyme inhibitor that inhibits the action of a transferase (EC 2.*)
EC 2.4.1.255 (protein O-GlcNAc transferase) inhibitor  An EC 2.4.1.* (hexosyltransferase) inhibitor that interferes with the action of protein O-GlcNAc transferase (EC 2.4.1.255).
ChEBI Ontology
Outgoing Relation(s)
OSMI-1 (CHEBI:139128) has role EC 2.* (transferase) inhibitor (CHEBI:71300)
OSMI-1 (CHEBI:139128) has role EC 2.4.1.255 (protein O-GlcNAc transferase) inhibitor (CHEBI:139153)
OSMI-1 (CHEBI:139128) is a aromatic ether (CHEBI:35618)
OSMI-1 (CHEBI:139128) is a furans (CHEBI:24129)
OSMI-1 (CHEBI:139128) is a quinolines (CHEBI:26513)
OSMI-1 (CHEBI:139128) is a sulfonamide (CHEBI:35358)
OSMI-1 (CHEBI:139128) is a tertiary carboxamide (CHEBI:140326)
OSMI-1 (CHEBI:139128) is a thiophenes (CHEBI:26961)
IUPAC Name 
(2R)-N-(2-furylmethyl)-2-(2-methoxyphenyl)-2-{[(2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]amino}-N-(2-thienylmethyl)acetamide
Synonym  Source
(R)-N-(furan-2-ylmethyl)-2-(2-methoxyphenyl)-2-(2-oxo-1,2-dihydroquinoline-6-sulfonamido)-N-(thiophen-2-ylmethyl)acetamideChEBI
Registry NumbersSources
Reaxys:29204918Reaxys
CAS:1681056-61-0SUBMITTER
Citations