Physicochemical Properties
| Molecular Formula | C24H23F3N2O4S |
| Molecular Weight | 492.510635614395 |
| Exact Mass | 492.133 |
| CAS # | 1423077-95-5 |
| PubChem CID | 71263372 |
| Appearance | White to off-white solid powder |
| LogP | 5.1 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 7 |
| Heavy Atom Count | 34 |
| Complexity | 728 |
| Defined Atom Stereocenter Count | 1 |
| SMILES | S(C1C=CC(=CC=1)OC(F)(F)F)(NC[C@@H](CN1C2C=CC=CC=2CCC2C=CC=CC1=2)O)(=O)=O |
| InChi Key | HNXBILKEHPSDSB-IBGZPJMESA-N |
| InChi Code | InChI=1S/C24H23F3N2O4S/c25-24(26,27)33-20-11-13-21(14-12-20)34(31,32)28-15-19(30)16-29-22-7-3-1-5-17(22)9-10-18-6-2-4-8-23(18)29/h1-8,11-14,19,28,30H,9-10,15-16H2/t19-/m0/s1 |
| Chemical Name | N-[(2R)-3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-hydroxypropyl]-4-(trifluoromethoxy)benzenesulfonamide |
| 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
| ln Vitro | RTC-30 (0-40 μM; 48 hours) inhibits H1650 lung cancer cells from growing when applied at a GI50 of 15 μM [1]. |
| Cell Assay |
Cell viability assay [1] Cell Types: H1650 lung adenocarcinoma cells Tested Concentrations: 0 μM, 1 μM, 10 μM, 20 μM, 30 μM, 40μM Incubation Duration: 48 hrs (hours) Experimental Results: Inhibition of the growth of H1650 lung adenocarcinoma cells. |
| References |
[1]. Reengineered tricyclic anti-cancer agents. Bioorg Med Chem. 2015 Oct 1;23(19):6528-34. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~15 mg/mL (~30.46 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 1.5 mg/mL (3.05 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (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 15.0 mg/mL clear DMSO stock solution to 400 μL of PEG300 and mix evenly; then add 50 μL of Tween-80 to the above solution and mix evenly; then add 450 μL of normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: 1.5 mg/mL (3.05 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution; with ultrasonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 15.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Solubility in Formulation 3: ≥ 1.5 mg/mL (3.05 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 15.0 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 | 2.0304 mL | 10.1521 mL | 20.3042 mL | |
| 5 mM | 0.4061 mL | 2.0304 mL | 4.0608 mL | |
| 10 mM | 0.2030 mL | 1.0152 mL | 2.0304 mL |