Compound-47

In the screen for inhibitors of ABH2 Compounds 47 and 60 were the most potent ABHD3 inhibitors that remained selective over the other measured

General

Type : Pyridine, Carboxamide

Chemical_Nomenclature : N-(3-Pyridyl)methyl2,2-difluoro-3-oxo-5-phenylvaleramide

Canonical SMILES : O=C(CCc1ccccc1)C(F)(F)C(=O)NCc1cccnc1

InChI : InChI=1S\/C17H16F2N2O2\/c18-17(19,15(22)9-8-13-5-2-1-3-6-13)16(23)21-12-14-7-4-10-20-11-14\/h1-7,10-11H,8-9,12H2,(H,21,23)

InChIKey : BCHBTDIXSOZRCG-UHFFFAOYSA-N

Other name(s) : N-[(pyridin-3-yl)methyl]-2,2-difluoro-3-oxo-5-phenylpentanamide


MW : 318.322

Formula : C17H16F2N2O2

CAS_number :

PubChem :

UniChem : BCHBTDIXSOZRCG-UHFFFAOYSA-N

Target

Families : Compound-47 ligand of proteins in family
abh_upf0017

Protein :
human-ABHD3

References (6)

Title : alpha\/beta-Hydrolase Domain (ABHD) Inhibitors as New Potential Therapeutic Options against Lipid-Related Diseases - Bononi_2021_J.Med.Chem_64_9759
Author(s) : Bononi G , Tuccinardi T , Rizzolio F , Granchi C
Ref : Journal of Medicinal Chemistry , : , 2021
Abstract :
PubMedSearch : Bononi_2021_J.Med.Chem_64_9759
PubMedID: 34213320
Gene_locus related to this paper: human-ABHD3

Title : alpha\/beta-Hydrolase Domain (ABHD) Inhibitors as New Potential Therapeutic Options against Lipid-Related Diseases - Bononi_2021_J.Med.Chem_64_9759
Author(s) : Bononi G , Tuccinardi T , Rizzolio F , Granchi C
Ref : Journal of Medicinal Chemistry , : , 2021
Abstract :
PubMedSearch : Bononi_2021_J.Med.Chem_64_9759
PubMedID: 34213320
Gene_locus related to this paper: human-ABHD3

Title : alpha\/beta-Hydrolase Domain (ABHD) Inhibitors as New Potential Therapeutic Options against Lipid-Related Diseases - Bononi_2021_J.Med.Chem_64_9759
Author(s) : Bononi G , Tuccinardi T , Rizzolio F , Granchi C
Ref : Journal of Medicinal Chemistry , : , 2021
Abstract :
PubMedSearch : Bononi_2021_J.Med.Chem_64_9759
PubMedID: 34213320
Gene_locus related to this paper: human-ABHD3

Title : ABHD2 Inhibitor Identified by Activity-Based Protein Profiling Reduces Acrosome Reaction - Baggelaar_2019_ACS.Chem.Biol_14_2295
Author(s) : Baggelaar MP , den Dulk H , Florea BI , Fazio D , Perruzza D , Bernabo N , Raspa M , Janssen APA , Scavizzi F , Barboni B , Overkleeft HS , Maccarrone M , van der Stelt M
Ref : ACS Chemical Biology , 14 :2295 , 2019
Abstract :
PubMedSearch : Baggelaar_2019_ACS.Chem.Biol_14_2295
PubMedID: 31525885
Gene_locus related to this paper: human-ABHD2 , human-ABHD3

Title : ABHD2 Inhibitor Identified by Activity-Based Protein Profiling Reduces Acrosome Reaction - Baggelaar_2019_ACS.Chem.Biol_14_2295
Author(s) : Baggelaar MP , den Dulk H , Florea BI , Fazio D , Perruzza D , Bernabo N , Raspa M , Janssen APA , Scavizzi F , Barboni B , Overkleeft HS , Maccarrone M , van der Stelt M
Ref : ACS Chemical Biology , 14 :2295 , 2019
Abstract :
PubMedSearch : Baggelaar_2019_ACS.Chem.Biol_14_2295
PubMedID: 31525885
Gene_locus related to this paper: human-ABHD2 , human-ABHD3

Title : ABHD2 Inhibitor Identified by Activity-Based Protein Profiling Reduces Acrosome Reaction - Baggelaar_2019_ACS.Chem.Biol_14_2295
Author(s) : Baggelaar MP , den Dulk H , Florea BI , Fazio D , Perruzza D , Bernabo N , Raspa M , Janssen APA , Scavizzi F , Barboni B , Overkleeft HS , Maccarrone M , van der Stelt M
Ref : ACS Chemical Biology , 14 :2295 , 2019
Abstract :
PubMedSearch : Baggelaar_2019_ACS.Chem.Biol_14_2295
PubMedID: 31525885
Gene_locus related to this paper: human-ABHD2 , human-ABHD3