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CHEBI:231613 - AM6545

ChEBI IDCHEBI:231613
ChEBI NameAM6545
Stars
DefinitionA 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.
Last Modified16 August 2024
Submitteramillett1
DownloadsMolfile
FormulaC26H23Cl2N5O3S
Net Charge0
Average Mass556.475
Monoisotopic Mass555.08987
SMILESCc1c(C(=O)NN2CCS(=O)(=O)CC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(C#CCCC#N)cc1
InChIInChI=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)
InChIKeyXBHQLFVDGLPBCK-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Roles:
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:
appetite depressant  Any agent that is used to decrease appetite.
ChEBI Ontology
Outgoing Relation(s)
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  Source
AM 6545SUBMITTER
AM-6545SUBMITTER
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-carboxamideSUBMITTER
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-carboxamideChEBI
Manual XrefsDatabases
AM-6545Wikipedia
HMDB0248271HMDB
Registry NumbersSources
CAS:1245626-05-4SUBMITTER
Citations