NT-0796
NDT-19795 is a carboxylic acid-containing NLRP3 (NOD-like receptor pyrin domain-containing protein 3) activation inhibitor in both human and mouse monocytes and macrophages. The isopropyl-ester (NT-0796) greatly enhances NLRP3 inhibitory potency in human monocytes. NDT-19795 is metabolized to NDT-19795 by carboxylesterase-1 (CES-1)
General
Type : Not AlphaBeta Hydrolase target, Pro-Drug, Drug, Indacen, Pyrimidine
Chemical_Nomenclature : propan-2-yl (2R)-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyloxy)-3-pyrimidin-2-ylpropanoate
Canonical SMILES : CC(C)OC(=O)C(CC1=NC=CC=N1)OC(=O)NC2=C3CCCC3=CC4=C2CCC4
InChI : InChI=1S\/C23H27N3O4\/c1-14(2)29-22(27)19(13-20-24-10-5-11-25-20)30-23(28)26-21-17-8-3-6-15(17)12-16-7-4-9-18(16)21\/h5,10-12,14,19H,3-4,6-9,13H2,1-2H3,(H,26,28)\/t19-\/m1\/s1
InChIKey : UMUQEMHROZVOTF-LJQANCHMSA-N
Other name(s) : S7V5RX5WBZ || SCHEMBL23139014 || GTPL13008 || EX-A8245
MW : 409.5
Formula : C23H27N3O4
CAS_number : 2272917-13-0
PubChem : 152031485
UniChem : UMUQEMHROZVOTF-LJQANCHMSA-N
Target
Structures : No structure
Families : Carboxylesterase, Carb_B_Chordata
References (3)
| Title : Target cell activation of a structurally novel NLRP3 inhibitor NT-0796 enhances potency - Smolak_2024_J.Pharmacol.Exp.Ther__ |
| Author(s) : Smolak P , Nguyen M , Diamond C , Wescott H , Doedens JR , Schooley K , Snouwaert JN , Bock MG , Harrison D , Watt AP , Koller BH , Gabel CA |
| Ref : Journal of Pharmacology & Experimental Therapeutics , : , 2024 |
| Abstract : |
| PubMedSearch : Smolak_2024_J.Pharmacol.Exp.Ther__ |
| PubMedID: 38253384 |
| Title : The ester-containing prodrug NT-0796 enhances delivery of the NLRP3 inflammasome inhibitor NDT-19795 to monocytic cells expressing carboxylesterase-1 - Doedens_2024_Biochem.Pharmacol__116455 |
| Author(s) : Doedens JR , Diamond C , Harrison D , Bock MG , Clarke N , Watt AP , Gabel CA |
| Ref : Biochemical Pharmacology , :116455 , 2024 |
| Abstract : |
| PubMedSearch : Doedens_2024_Biochem.Pharmacol__116455 |
| PubMedID: 39069136 |
| Title : Discovery of Clinical Candidate NT-0796, a Brain-Penetrant and Highly Potent NLRP3 Inflammasome Inhibitor for Neuroinflammatory Disorders - Harrison_2023_J.Med.Chem_66_14897 |
| Author(s) : Harrison D , Billinton A , Bock MG , Doedens JR , Gabel CA , Holloway MK , Porter RA , Reader V , Scanlon J , Schooley K , Watt AP |
| Ref : Journal of Medicinal Chemistry , 66 :14897 , 2023 |
| Abstract : |
| PubMedSearch : Harrison_2023_J.Med.Chem_66_14897 |
| PubMedID: 37874905 |