ABC99
IC50 170 +/- 20 nM. As a covalent inhibitor of Notum, the IC50 value will be time dependent. ABC99 showed no cross-reactivity with 64 serine hydrolasesquantified by ABPP. only partial inhiition of ABHD6 was observed.
General
Type : Pyridine,Carbamate
Chemical_Nomenclature : 7-(4-chlorobenzyl)-1,3-dioxohexahydroimidazo[1,5-a]pyrazin-2(3H)-yl 2,3-dihydro-4H-benzo[b][1,4]oxazine-4-carboxylate
Canonical SMILES : C1CN3C(CN1CC2=CC=C(C=C2)Cl)C(=O)N(C3=O)OC(=O)N4CCOC5=CC=CC=C45
InChI : InChI=1S\/C22H21ClN4O5\/c23-16-7-5-15(6-8-16)13-24-9-10-25-18(14-24)20(28)27(21(25)29)32-22(30)26-11-12-31-19-4-2-1-3-17(19)26\/h1-8,18H,9-14H2
InChIKey : OZPZCETZTBBQBO-UHFFFAOYSA-N
Other name(s) :
MW : 456,88
Formula : C22H21ClN4O5
CAS_number :
PubChem : 134817170
UniChem : OZPZCETZTBBQBO-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Target
Families : ABC99 ligand of proteins in family: Pectinacetylesterase-Notum
Stucture :
Protein : human-NOTUM
References (5)
| Title : Small-molecule inhibitors of carboxylesterase Notum - Zhao_2021_Future.Med.Chem__ |
| Author(s) : Zhao Y , Jolly S , Benvegnu S , Jones EY , Fish PV |
| Ref : Future Med Chem , : , 2021 |
| Abstract : Zhao_2021_Future.Med.Chem__ |
| ESTHER : Zhao_2021_Future.Med.Chem__ |
| PubMedSearch : Zhao_2021_Future.Med.Chem__ |
| PubMedID: 33882714 |
| Gene_locus related to this paper: human-NOTUM |
| Title : Carboxylesterase Notum Is a Druggable Target to Modulate Wnt Signaling - Bayle_2021_J.Med.Chem__ |
| Author(s) : Bayle ED , Svensson F , Atkinson BN , Steadman D , Willis NJ , Woodward HL , Whiting P , Vincent JP , Fish PV |
| Ref : Journal of Medicinal Chemistry , : , 2021 |
| Abstract : Bayle_2021_J.Med.Chem__ |
| ESTHER : Bayle_2021_J.Med.Chem__ |
| PubMedSearch : Bayle_2021_J.Med.Chem__ |
| PubMedID: 33783220 |
| Gene_locus related to this paper: human-NOTUM |
| Title : Single-Cell Profiling and SCOPE-Seq Reveal Lineage Dynamics of Adult Ventricular-Subventricular Zone Neurogenesis and NOTUM as a Key Regulator - Mizrak_2020_Cell.Rep_31_107805 |
| Author(s) : Mizrak D , Bayin NS , Yuan J , Liu Z , Suciu RM , Niphakis MJ , Ngo N , Lum KM , Cravatt BF , Joyner AL , Sims PA |
| Ref : Cell Rep , 31 :107805 , 2020 |
| Abstract : Mizrak_2020_Cell.Rep_31_107805 |
| ESTHER : Mizrak_2020_Cell.Rep_31_107805 |
| PubMedSearch : Mizrak_2020_Cell.Rep_31_107805 |
| PubMedID: 32579931 |
| Gene_locus related to this paper: human-NOTUM |
| Title : Notum produced by Paneth cells attenuates regeneration of aged intestinal epithelium - Pentinmikko_2019_Nature_571_398 |
| Author(s) : Pentinmikko N , Iqbal S , Mana M , Andersson S , Cognetta AB, 3rd , Suciu RM , Roper J , Luopajarvi K , Markelin E , Gopalakrishnan S , Smolander OP , Naranjo S , Saarinen T , Juuti A , Pietilainen K , Auvinen P , Ristimaki A , Gupta N , Tammela T , Jacks T , Sabatini DM , Cravatt BF , Yilmaz OH , Katajisto P |
| Ref : Nature , 571 :398 , 2019 |
| Abstract : Pentinmikko_2019_Nature_571_398 |
| ESTHER : Pentinmikko_2019_Nature_571_398 |
| PubMedSearch : Pentinmikko_2019_Nature_571_398 |
| PubMedID: 31292548 |
| Gene_locus related to this paper: human-NOTUM , mouse-notum |
| Title : Selective Irreversible Inhibitors of the Wnt-Deacylating Enzyme NOTUM Developed by Activity-Based Protein Profiling - Suciu_2018_ACS.Med.Chem.Lett_9_563 |
| Author(s) : Suciu RM , Cognetta AB, 3rd , Potter ZE , Cravatt BF |
| Ref : ACS Med Chem Lett , 9 :563 , 2018 |
| Abstract : Suciu_2018_ACS.Med.Chem.Lett_9_563 |
| ESTHER : Suciu_2018_ACS.Med.Chem.Lett_9_563 |
| PubMedSearch : Suciu_2018_ACS.Med.Chem.Lett_9_563 |
| PubMedID: 29937983 |
| Gene_locus related to this paper: human-NOTUM |