Physicochemical Properties
| Molecular Formula | C24H31F3N2O4S |
| Molecular Weight | 500.574156045914 |
| Exact Mass | 500.195 |
| CAS # | 2351886-00-3 |
| Related CAS # | 2351886-00-3; |
| PubChem CID | 138911346 |
| Appearance | White to off-white solid powder |
| LogP | 4.8 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 9 |
| Heavy Atom Count | 34 |
| Complexity | 746 |
| Defined Atom Stereocenter Count | 2 |
| SMILES | CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N(C[C@@H]([C@H](C2=CC=C(C=C2)OC(F)(F)F)N)O)C3CCC3 |
| InChi Key | KEEHEUGOPCFXAV-VXKWHMMOSA-N |
| InChi Code | InChI=1S/C24H31F3N2O4S/c1-23(2,3)17-9-13-20(14-10-17)34(31,32)29(18-5-4-6-18)15-21(30)22(28)16-7-11-19(12-8-16)33-24(25,26)27/h7-14,18,21-22,30H,4-6,15,28H2,1-3H3/t21-,22-/m0/s1 |
| Chemical Name | N-[(2S,3S)-3-amino-2-hydroxy-3-[4-(trifluoromethoxy)phenyl]propyl]-4-tert-butyl-N-cyclobutylbenzenesulfonamide |
| 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 Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture. |
| 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
Solubility Data
| Solubility (In Vitro) | DMSO : ~190 mg/mL (~379.57 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 4.75 mg/mL (9.49 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 47.5 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.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.9977 mL | 9.9886 mL | 19.9772 mL | |
| 5 mM | 0.3995 mL | 1.9977 mL | 3.9954 mL | |
| 10 mM | 0.1998 mL | 0.9989 mL | 1.9977 mL |