Avagacestat (CHEM102987)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-04-05 13:38:59 UTC | ||||||||
| Update Date | 2026-05-14 19:14:22 UTC | ||||||||
| Accession Number | CHEM102987 | ||||||||
| Identification | |||||||||
| Common Name | Avagacestat | ||||||||
| Class | Small Molecule | ||||||||
| Description | Avagacestat is an organic compound with the chemical formula C20H17ClF4N4O4S. Avagacestat belongs to the oxadiazoles, a subclass of azoles within the organic compounds. With an average molecular weight of 520.88 g/mol, Avagacestat is a heavy molecule. This organoheterocyclic compound acts on five recorded protein targets. It serves as a modulator of Gamma-secretase subunit APH-1A (APH1A), Gamma-secretase subunit APH-1B (APH1B), Gamma-secretase subunit PEN-2 (PSENEN), and Presenilin-1 (PSEN1), in addition to one other protein. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C20H17ClF4N4O4S | ||||||||
| Average Molecular Mass | 520.880 g/mol | ||||||||
| Monoisotopic Mass | 520.060 g/mol | ||||||||
| CAS Registry Number | 1146699-66-2 | ||||||||
| IUPAC Name | (2R)-5,5,5-trifluoro-2-(N-{[2-fluoro-4-(1,2,4-oxadiazol-3-yl)phenyl]methyl}4-chlorobenzenesulfonamido)pentanamide | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | NC(=O)[C@@H](CCC(F)(F)F)N(CC1=C(F)C=C(C=C1)C1=NOC=N1)S(=O)(=O)C1=CC=C(Cl)C=C1 | ||||||||
| InChI Identifier | InChI=1S/C20H17ClF4N4O4S/c21-14-3-5-15(6-4-14)34(31,32)29(17(18(26)30)7-8-20(23,24)25)10-13-2-1-12(9-16(13)22)19-27-11-33-28-19/h1-6,9,11,17H,7-8,10H2,(H2,26,30)/t17-/m1/s1 | ||||||||
| InChI Key | XEAOPVUAMONVLA-QGZVFWFLSA-N | ||||||||
| Chemical Taxonomy | |||||||||
| Classification | Not classified | ||||||||
| Biological Properties | |||||||||
| Status | Detected and Not Quantified | ||||||||
| Origin | Not Available | ||||||||
| Cellular Locations | Not Available | ||||||||
| Biofluid Locations | Not Available | ||||||||
| Tissue Locations | Not Available | ||||||||
| Pathways | Not Available | ||||||||
| Applications | Not Available | ||||||||
| Biological Roles | Not Available | ||||||||
| Chemical Roles | Not Available | ||||||||
| Physical Properties | |||||||||
| State | Not Available | ||||||||
| Appearance | Not Available | ||||||||
| Experimental Properties |
| ||||||||
| Predicted Properties | Not Available | ||||||||
| Spectra | |||||||||
| Spectra |
| ||||||||
| Toxicity Profile | |||||||||
| Route of Exposure | Not Available | ||||||||
| Mechanism of Toxicity | Not Available | ||||||||
| Metabolism | Not Available | ||||||||
| Toxicity Values | Not Available | ||||||||
| Lethal Dose | Not Available | ||||||||
| Carcinogenicity (IARC Classification) | Not Available | ||||||||
| Uses/Sources | Not Available | ||||||||
| Minimum Risk Level | Not Available | ||||||||
| Health Effects | Not Available | ||||||||
| Symptoms | Not Available | ||||||||
| Treatment | Not Available | ||||||||
| Concentrations | |||||||||
| Not Available | |||||||||
| External Links | |||||||||
| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
