Physicochemical Properties
| Molecular Formula | C39H38CLF7N6O9 |
| Appearance | White to off-white solid |
| InChi Key | WIVPYDFPOIFDHJ-ZRZAMGCNSA-N |
| InChi Code | InChI=1S/C39H34ClF7N6O7/c1-20(54)37(59-33(56)38(42,43)44,60-34(57)39(45,46)47)32(55)53-22-10-11-23(53)18-51(17-22)31-25-16-48-29(24-8-2-6-21-7-3-9-26(40)27(21)24)28(41)30(25)49-35(50-31)58-19-36-12-4-14-52(36)15-5-13-36/h2-3,6-9,16,22-23H,4-5,10-15,17-19H2,1H3/t22-,23+ |
| Chemical Name | [1-[(1R,5S)-3-[7-(8-chloronaphthalen-1-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-1,3-dioxo-2-(2,2,2-trifluoroacetyl)oxybutan-2-yl] 2,2,2-trifluoroacetate |
| Synonyms | KRas G12R inhibitor 1 |
| 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, 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
| References |
[1]. Chemoselective Covalent Modification of K-Ras(G12R) with a Small Molecule Electrophile. J Am Chem Soc. 2022 Sep 7;144(35):15916-15921. |
Solubility Data
| Solubility (In Vitro) | DMSO: ~100 mg/mL (~110.7 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (2.77 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 25.0 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: ≥ 2.5 mg/mL (2.77 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 25.0 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: ≥ 2.5 mg/mL (2.77 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.) |