 Chemical Structure.png)
Physicochemical Properties
| Molecular Formula | C26H28FN3O4S |
| Exact Mass | 497.178 |
| CAS # | 2242582-40-5 |
| Related CAS # | 2242582-40-5 |
| PubChem CID | 142474792 |
| Appearance | White to off-white solid |
| LogP | 4.1 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 9 |
| Heavy Atom Count | 35 |
| Complexity | 801 |
| Defined Atom Stereocenter Count | 1 |
| SMILES | CC(C)(C)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)F |
| InChi Key | NRHPFMQPXSSELC-QHCPKHFHSA-N |
| InChi Code | InChI=1S/C26H28FN3O4S/c1-26(2,3)30-35(33,34)22-15-13-21(14-16-22)28-25(32)23(17-18-7-5-4-6-8-18)29-24(31)19-9-11-20(27)12-10-19/h4-16,23,30H,17H2,1-3H3,(H,28,32)(H,29,31)/t23-/m0/s1 |
| Chemical Name | N-[(2S)-1-[4-(tert-butylsulfamoyl)anilino]-1-oxo-3-phenylpropan-2-yl]-4-fluorobenzamide |
| Synonyms | CMPD-39 |
| HS Tariff Code | 2934.99.9001 |
| Storage |
Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition | Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs) |
Biological Activity
| Targets | USP30 (IC50 = 0.02 μM) |
| References |
[1]. Novel highly selective inhibitors of ubiquitin specific protease 30 (USP30) accelerate mitophagy. Bioorg Med Chem Lett. 2018 Aug 15;28(15):2655-2659. [2]. Benchmarking a highly selective USP30 inhibitor for enhancement of mitophagy and pexophagy. Life Sci Alliance. 2021;5(2):e202101287. |
Solubility Data
| Solubility (In Vitro) | DMSO: ~100 mg/mL (~201 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.02 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |