Physicochemical Properties
| Molecular Formula | C27H37F2N7O |
| Molecular Weight | 513.625792264938 |
| Exact Mass | 513.302 |
| CAS # | 2756566-45-5 |
| PubChem CID | 156587343 |
| Appearance | White to off-white solid powder |
| LogP | 4 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 5 |
| Heavy Atom Count | 37 |
| Complexity | 783 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | O=C1CN(C2C=C(F)C(CN3CCC(C)(C)CC3)=CC=2F)CC2(CCN(C3=NC=NC(NC)=C3)CC2)N1 |
| InChi Key | GYWOVBUGFWWSJR-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C27H37F2N7O/c1-26(2)4-8-34(9-5-26)15-19-12-21(29)22(13-20(19)28)36-16-25(37)33-27(17-36)6-10-35(11-7-27)24-14-23(30-3)31-18-32-24/h12-14,18H,4-11,15-17H2,1-3H3,(H,33,37)(H,30,31,32) |
| Chemical Name | 4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]-2,5-difluorophenyl]-9-[6-(methylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one |
| 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 | Compound 22 (UZH2), with an EC50 of 0.85 μM, dose-dependently stabilizes METTL3 in MOLM-13 cells at 54°C for 1 hour at concentrations of 0–25 μM [1]. MOLM-13 and PC-3 are decreased by UZH2 (16 h). In cells, the EC50 and m6A/A ratio of polyadenylated RNA are 0.7 μM and 2.5 μM, respectively [1]. |
| Cell Assay |
Western Blot Analysis[1] Cell Types: MOLM-13 Cell Tested Concentrations: 0-25 μM Incubation Duration: 1h Experimental Results: Stabilizes METTL3 in a dose-dependent manner at 54 °C. |
| References |
[1]. 1,4,9-Triazaspiro[5.5]undecan-2-one Derivatives as Potent and Selective METTL3 Inhibitors. J Med Chem. 2021 Sep 9;64(17):12738-12760. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~50 mg/mL (~97.35 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 1.25 mg/mL (2.43 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 12.5 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 | 1.9469 mL | 9.7346 mL | 19.4693 mL | |
| 5 mM | 0.3894 mL | 1.9469 mL | 3.8939 mL | |
| 10 mM | 0.1947 mL | 0.9735 mL | 1.9469 mL |