Physicochemical Properties
| Molecular Formula | C16H15N5 |
| Molecular Weight | 277.323802232742 |
| Exact Mass | 277.132 |
| Elemental Analysis | C, 69.29; H, 5.45; N, 25.25 |
| CAS # | 1357349-91-7 |
| Related CAS # | 1357349-91-7 |
| PubChem CID | 66549796 |
| Appearance | Off-white to light yellow solid powder |
| LogP | 2.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Heavy Atom Count | 21 |
| Complexity | 417 |
| Defined Atom Stereocenter Count | 0 |
| InChi Key | JQOIRTDBHMDWMT-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C16H15N5/c1-11(2)21-16-14(15(17)18-10-19-16)13(20-21)9-8-12-6-4-3-5-7-12/h3-7,10-11H,1-2H3,(H2,17,18,19) |
| Chemical Name | 3-(2-phenylethynyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine |
| Synonyms | SPP86; SPP 86; SPP-86 |
| 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
| Targets | RET (IC50 = 8 nM) |
| ln Vitro |
SPP86 (0-10 μM)) inhibits MAPK signaling and proliferation in TPC1 cells expressing RET/PTC1, but not in 8505C or C643 cells[1]. SPP86 0-10 μM) prevents estrogen receptor (ER) phosphorylation and phosphatidylinositide 3-kinase (PI3K)/Akt and MAPK signaling from being induced by RET in MCF7 cells[1]. |
| References |
[1]. Selective inhibition of RET mediated cell proliferation in vitro by the kinase inhibitor SPP86. BMC Cancer. 2014 Nov 20;14:853. |
Solubility Data
| Solubility (In Vitro) | DMSO: 55~100 mg/mL (198.3~360.6 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (9.01 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 (9.01 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 (9.01 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.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.6059 mL | 18.0297 mL | 36.0594 mL | |
| 5 mM | 0.7212 mL | 3.6059 mL | 7.2119 mL | |
| 10 mM | 0.3606 mL | 1.8030 mL | 3.6059 mL |