CHEBI:231613 - AM6545

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name AM6545 ChEBI ID CHEBI:231613 Definition A member of the class of pyrazoles that is 1H-pyrazole substituted by 2,4-dichlorophenyl, N-(1,1-dioxidothiomorpholin-4-yl)aminoacyl, methyl, and 4-(4-cyanobut-1-yn-1-yl)phenyl groups at positions 1, 3, 4 and 5, respectively. It is a cannabinoid receptor 1 antagonist and a potential appetite suppressant. Stars This entity has been manually annotated by the ChEBI Team. Submitter Alexandra Millett Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Wikipedia License Read full article at Wikipedia Formula C26H23Cl2N5O3S Net Charge 0 Average Mass 556.460 Monoisotopic Mass 555.08987 InChI InChI=1S/C26H23Cl2N5O3S/c1-18-24(26(34)31-32-13-15-37(35,36)16-14-32)30-33(23-11-10-21(27)17-22(23)28)25(18)20-8-6-19(7-9-20)5-3-2-4-12-29/h6-11,17H,2,4,13-16H2,1H3,(H,31,34) InChIKey XBHQLFVDGLPBCK-UHFFFAOYSA-N SMILES CC1=C(N(N=C1C(=O)NN1CCS(=O)(=O)CC1)C1=C(Cl)C=C(Cl)C=C1)C1=CC=C(C=C1)C#CCCC#N Roles Classification Biological Role(s): CB1 receptor antagonist An antagonist that binds to and deactivates type 1 cannabinoid receptors. anti-obesity agent Any substance which is used to reduce or control weight. Application(s): appetite depressant Any agent that is used to decrease appetite. View more via ChEBI Ontology ChEBI Ontology Outgoing AM6545 (CHEBI:231613) has role anti-obesity agent (CHEBI:74518) AM6545 (CHEBI:231613) has role appetite depressant (CHEBI:50507) AM6545 (CHEBI:231613) has role CB1 receptor antagonist (CHEBI:73416) AM6545 (CHEBI:231613) is a arylacetylene (CHEBI:51929) AM6545 (CHEBI:231613) is a carbohydrazide (CHEBI:35363) AM6545 (CHEBI:231613) is a dichlorobenzene (CHEBI:23697) AM6545 (CHEBI:231613) is a nitrile (CHEBI:18379) AM6545 (CHEBI:231613) is a pyrazoles (CHEBI:26410) AM6545 (CHEBI:231613) is a sulfone (CHEBI:35850) AM6545 (CHEBI:231613) is a thiomorpholines (CHEBI:36393) IUPAC Name 5-[4-(4-cyanobut-1-yn-1-yl)phenyl]-1-(2,4-dichlorophenyl)-N-(1,1-dioxidothiomorpholin-4-yl)-4-methyl-1H-pyrazole-3-carboxamide Synonyms Sources 5-[4-(4-cyanobut-1-yn-1-yl)phenyl]-1-(2,4-dichlorophenyl)-N-(1,1-dioxo-1λ6,4-thiazinan-4-yl)-4-methyl-1H-pyrazole-3-carboxamide SUBMITTER 5-[4-(4-cyanobut-1-yn-1-yl)phenyl]-1-(2,4-dichlorophenyl)-N-(1,1-dioxo-1λ6-thiomorpholin-4-yl)-4-methyl-1H-pyrazole-3-carboxamide ChEBI AM 6545 SUBMITTER AM-6545 SUBMITTER Manual Xrefs Databases AM-6545 Wikipedia HMDB0248271 HMDB View more database links Registry Number Type Source 1245626-05-4 CAS Registry Number SUBMITTER Citations Types Sources 20664173 PubMed citation Europe PMC 20713079 PubMed citation Europe PMC 20880401 PubMed citation Europe PMC 23902803 PubMed citation Europe PMC 25772338 PubMed citation Europe PMC 26426981 PubMed citation Europe PMC 28144708 PubMed citation Europe PMC 28387811 PubMed citation Europe PMC 29615900 PubMed citation Europe PMC 30184259 PubMed citation Europe PMC 31281260 PubMed citation Europe PMC 32927872 PubMed citation Europe PMC 32987186 PubMed citation Europe PMC 33121353 PubMed citation Europe PMC 33138155 PubMed citation Europe PMC 33216305 PubMed citation Europe PMC 33562080 PubMed citation Europe PMC 33998896 PubMed citation Europe PMC 35787179 PubMed citation Europe PMC 36088492 PubMed citation Europe PMC 36682621 PubMed citation Europe PMC 37212036 PubMed citation Europe PMC 38059442 PubMed citation Europe PMC 38398671 PubMed citation Europe PMC 38594069 PubMed citation Europe PMC Last Modified 16 August 2024