Physicochemical Properties
| Molecular Formula | C25H19FN2O3S |
| Molecular Weight | 446.493368387222 |
| Exact Mass | 446.11 |
| CAS # | 2249106-01-0 |
| PubChem CID | 138005723 |
| Appearance | White to off-white solid powder |
| LogP | 5 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Heavy Atom Count | 32 |
| Complexity | 703 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | S(C1C=CC(=CC=1)F)(NC1C=CC=C(C=1)NC(C1C=CC(=CC=1)C1C=CC=CC=1)=O)(=O)=O |
| InChi Key | GFQARWFKDMDSAS-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C25H19FN2O3S/c26-21-13-15-24(16-14-21)32(30,31)28-23-8-4-7-22(17-23)27-25(29)20-11-9-19(10-12-20)18-5-2-1-3-6-18/h1-17,28H,(H,27,29) |
| Chemical Name | N-[3-[(4-fluorophenyl)sulfonylamino]phenyl]-4-phenylbenzamide |
| 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
| References |
[1]. STING inhibitors target the cyclic dinucleotide binding pocket. Proc Natl Acad Sci U S A. 2021 Jun 15;118(24):e2105465118. |
Solubility Data
| Solubility (In Vitro) | DMSO: 100 mg/mL (223.97 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: 2.5 mg/mL (5.60 mM) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication. 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.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.2397 mL | 11.1985 mL | 22.3969 mL | |
| 5 mM | 0.4479 mL | 2.2397 mL | 4.4794 mL | |
| 10 mM | 0.2240 mL | 1.1198 mL | 2.2397 mL |