Physicochemical Properties
| Molecular Formula | C20H26N8O |
| Molecular Weight | 394.473442554474 |
| Exact Mass | 394.222 |
| CAS # | 1313026-58-2 |
| PubChem CID | 53258965 |
| Appearance | Off-white to light yellow solid powder |
| LogP | 1.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 5 |
| Heavy Atom Count | 29 |
| Complexity | 551 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | O1C2CN(C3=NC(C4C=NC(=CN=4)N)=C4C(=N3)N(C=N4)C(CC)CC)CC1CC2 |
| InChi Key | VZZGNDREIXJEAB-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C20H26N8O/c1-3-12(4-2)28-11-24-18-17(15-7-23-16(21)8-22-15)25-20(26-19(18)28)27-9-13-5-6-14(10-27)29-13/h7-8,11-14H,3-6,9-10H2,1-2H3,(H2,21,23) |
| Chemical Name | 5-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-9-pentan-3-ylpurin-6-yl]pyrazin-2-amine |
| Synonyms | FT-1518FT 1518FT1518 |
| 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 | FT-1518 is a new family of selective, powerful, orally accessible mTORC1 and mTORC2 inhibitors with anti-tumor efficacy. FT-1518 demonstrates substantial growth inhibitory action against a broad range of blood and solid tumor cell lines, with most activities in the low nanomolar range. FT-1518 potently inhibits mTOR pathway biomarkers (mTORC 1 and 2 biomarkers [pAkt(S473) and pS6(S240/244) or p70 S6K), but not PI3K biomarkers, in cells [pAkt(T308)][1]. |
| ln Vivo | In several solid tumor xenografts, FT-1518 showed dose-dependent and improved tumor growth inhibition (TGI) [1]. |
| References |
[1]. Abstract 137: FT-1518, a new generation selective and potent mTORC1 and mTORC2 inhibitor: an in vitro and in vivo profile. Cancer Res 2017;77(13 Suppl). |
Solubility Data
| Solubility (In Vitro) | DMSO : ~5 mg/mL (~12.68 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 0.5 mg/mL (1.27 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 5.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL 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: ≥ 0.5 mg/mL (1.27 mM) (saturation unknown) 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. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 5.0 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: ≥ 0.5 mg/mL (1.27 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 5.0 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 | 2.5350 mL | 12.6752 mL | 25.3505 mL | |
| 5 mM | 0.5070 mL | 2.5350 mL | 5.0701 mL | |
| 10 mM | 0.2535 mL | 1.2675 mL | 2.5350 mL |