ASP-4058 (CHEM131358)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-14 18:24:54 UTC | ||||||||
| Update Date | 2026-08-20 01:47:25 UTC | ||||||||
| Accession Number | CHEM131358 | ||||||||
| Identification | |||||||||
| Common Name | ASP-4058 | ||||||||
| Class | Small Molecule | ||||||||
| Description | ASP-4058 is an organic compound with the formula C19H12F6N4O2 and an average molecular weight of 442.32 g/mol. ASP-4058 belongs to the oxadiazoles, a subclass of azoles within the organic compounds. In terms of biological activity, the compound has two recorded protein targets, acting as a modulator of Sphingosine 1-phosphate receptor 1 (S1PR1) and Sphingosine 1-phosphate receptor 5 (S1PR5). | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C19H12F6N4O2 | ||||||||
| Average Molecular Mass | 442.321 g/mol | ||||||||
| Monoisotopic Mass | 442.086 g/mol | ||||||||
| CAS Registry Number | 952565-91-2 | ||||||||
| IUPAC Name | 5-{5-[3-(trifluoromethyl)-4-{[(2S)-1,1,1-trifluoropropan-2-yl]oxy}phenyl]-1,2,4-oxadiazol-3-yl}-1H-1,3-benzodiazole | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | C[C@H](OC1=CC=C(C=C1C(F)(F)F)C1=NC(=NO1)C1=CC=C2NC=NC2=C1)C(F)(F)F | ||||||||
| InChI Identifier | InChI=1S/C19H12F6N4O2/c1-9(18(20,21)22)30-15-5-3-11(6-12(15)19(23,24)25)17-28-16(29-31-17)10-2-4-13-14(7-10)27-8-26-13/h2-9H,1H3,(H,26,27)/t9-/m0/s1 | ||||||||
| InChI Key | NJNXCJPSMWKXHO-VIFPVBQESA-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 |
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| Predicted Properties | Not Available | ||||||||
| Spectra | |||||||||
| Spectra |
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| 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 | ||||||||
