Physicochemical Properties
| Molecular Formula | C22H19N7OS |
| Molecular Weight | 429.4976 |
| Exact Mass | 429.137 |
| CAS # | 1527517-50-5 |
| PubChem CID | 72943374 |
| Appearance | Light yellow to yellow solid powder |
| LogP | 2.8 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 4 |
| Heavy Atom Count | 31 |
| Complexity | 653 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | S1C([H])=C(C2=C1C(N([H])[H])=NC([H])=N2)C(N([H])C1C([H])=C([H])C([H])=C2C=1C(C([H])([H])[H])=NN2C([H])([H])C1=C([H])C([H])=C([H])C(C([H])([H])[H])=N1)=O |
| InChi Key | KZVIZFHCMVWFNT-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C22H19N7OS/c1-12-5-3-6-14(26-12)9-29-17-8-4-7-16(18(17)13(2)28-29)27-22(30)15-10-31-20-19(15)24-11-25-21(20)23/h3-8,10-11H,9H2,1-2H3,(H,27,30)(H2,23,24,25) |
| Chemical Name | 4-amino-N-[3-methyl-1-[(6-methylpyridin-2-yl)methyl]indazol-4-yl]thieno[3,2-d]pyrimidine-7-carboxamide |
| 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]. Synthesis and evaluation of thieno[3,2-d]pyrimidine derivatives as novel FMS inhibitors. Bioorg Med Chem Lett. 2019 Jan 15;29(2):271-275. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~10 mg/mL (~23.28 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: 1 mg/mL (2.33 mM) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (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 10.0 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 mg/mL (2.33 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 10.0 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.  (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.3283 mL | 11.6414 mL | 23.2829 mL | |
| 5 mM | 0.4657 mL | 2.3283 mL | 4.6566 mL | |
| 10 mM | 0.2328 mL | 1.1641 mL | 2.3283 mL |