LY3372689 - Moligand™ , Inhibitor of O-GlcNAcase, CAS No.L611654, Inhibitor of O-GlcNAcase

CAS: L611654 Cat. No.: L611654 PubChem CID: 135260636

GRADE & PURITY Moligand™

Synonyms

GTPL11953 | N-(4-Fluoro-5-(((2S,4S)-2-methyl-4-((5-methyl-1,2,4-oxadiazol-3-yl)methoxy)piperidin-1-yl)methyl)thiazol-2-yl)acetamide | EX-A6549 | SCHEMBL20421995 | MS-26295 | Acetamide, N-(4-fluoro-5-(((2S,4S)-2-methyl-4-((5-methyl-1,2,4-oxadiazol-3-yl)met

Specifications

Synonyms

GTPL11953 | N-(4-Fluoro-5-(((2S, 4S)-2-methyl-4-((5-methyl-1, 2, 4-oxadiazol-3-yl)methoxy)piperidin-1-yl)methyl)thiazol-2-yl)acetamide | EX-A6549 | SCHEMBL20421995 | MS-26295 | Acetamide, N-(4-fluoro-5-(((2S, 4S)-2-methyl-4-((5-methyl-1, 2, 4-oxadiazol-3-yl)met

Specifications & Purity

Moligand™

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of O-GlcNAcase

Names and Identifiers

• Canonical Smiles: C[C@H]1C[C@H](CCN1Cc1c(F)nc(NC(=O)C)s1)OCc1noc(C)n1
• IUPAC Name: N-[4-fluoro-5-[[(2S,4S)-2-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
• InChIKey: FRVXHWNHGWUTQO-CABZTGNLSA-N
• INCHI: 1S/C16H22FN5O3S/c1-9-6-12(24-8-14-19-11(3)25-21-14)4-5-22(9)7-13-15(17)20-16(26-13)18-10(2)23/h9,12H,4-8H2,1-3H3,(H,18,20,23)/t9-,12-/m0/s1
• Isomeric SMILES: C[C@H]1C[C@H](CCN1CC2=C(N=C(S2)NC(=O)C)F)OCC3=NOC(=N3)C
• PubChem CID: 135260636

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass N-arylamides

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: N-arylamides
• Intermediate Tree Nodes: Not available
• Direct Parent: N-acetylarylamines
• Alternative Parents: 2,4,5-trisubstituted thiazoles Aralkylamines Piperidines Heteroaromatic compounds Acetamides 1,2,4-oxadiazoles Trialkylamines Amino acids and derivatives Vinyl fluorides Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Fluoroalkenes Dialkyl ethers Carboximidamides Azacyclic compounds Organopnictogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-acetylarylamine - 2,4,5-trisubstituted 1,3-thiazole - Aralkylamine - Piperidine - Heteroaromatic compound - Acetamide - Thiazole - Oxadiazole - Azole - 1,2,4-oxadiazole - Tertiary aliphatic amine - Tertiary amine - Carboxamide group - Amino acid or derivatives - Oxacycle - Azacycle - Fluoroalkene - Haloalkene - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Carboximidamide - Vinyl halide - Vinyl fluoride - Ether - Dialkyl ether - Carboxylic acid derivative - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organofluoride - Organohalogen compound - Amine - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as n-acetylarylamines. These are acetamides where one or more amide hydrogens is substituted by an aryl group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

OGA Tchem Protein O-GlcNAcase (0 Activities)

Discover Target: OGA

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)