Physicochemical Properties
| Molecular Formula | C32H42N6O3 |
| Molecular Weight | 558.714287281036 |
| Exact Mass | 558.331 |
| CAS # | 2813577-78-3 |
| Related CAS # | UZH1;2925713-02-4;UZH1b;2814392-17-9 |
| PubChem CID | 154815692 |
| Appearance | Off-white to light yellow solid powder |
| LogP | 4.8 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 9 |
| Heavy Atom Count | 41 |
| Complexity | 828 |
| Defined Atom Stereocenter Count | 1 |
| SMILES | CC1(CCN(CC1)CC2=CC(=C(C=C2)C(=O)NC[C@@]3(CCCN(C3)C4=NC=NC(=C4)NCC5=CC=CC=C5)O)O)C |
| InChi Key | PWYRDVXYAOGDNK-JGCGQSQUSA-N |
| InChi Code | InChI=1S/C32H42N6O3/c1-31(2)12-15-37(16-13-31)20-25-9-10-26(27(39)17-25)30(40)34-21-32(41)11-6-14-38(22-32)29-18-28(35-23-36-29)33-19-24-7-4-3-5-8-24/h3-5,7-10,17-18,23,39,41H,6,11-16,19-22H2,1-2H3,(H,34,40)(H,33,35,36)/t32-/m1/s1 |
| Chemical Name | N-[[(3R)-1-[6-(benzylamino)pyrimidin-4-yl]-3-hydroxypiperidin-3-yl]methyl]-4-[(4,4-dimethylpiperidin-1-yl)methyl]-2-hydroxybenzamide |
| 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 | IC50: 280 nM (METTL3)[1] |
| ln Vitro | UZH1a (2.5-160 μM; 72 h) suppresses the development of U2Os, HEK293T, and MOLM-13 cells with IC50 values of 11 μM, 67 μM, and 87 μM, respectively [1]. UZH1a (2.5–100 μM; 16 h) dose-dependently lowers the m6A methylation levels in MOLM-13 cell mRNA (IC50= 4.6 μM) [1]. UZH1a (40 μM; 16 hours) decreases the amounts of m6A methylation in the mRNA of MOLM-13, HEK293T, and U2Os cells [1]. MOLM-13 cells experience cell cycle arrest and increased apoptosis when exposed to UZH1a (20 μM) for 16 hours [1]. |
| Cell Assay |
Cell Viability Assay[1] Cell Types: MOLM-13, HEK293T, and U2Os cells Tested Concentrations: 2.5-160 µM Incubation Duration: 72 hrs (hours) Experimental Results: Inhibited the growth of MOLM-13, HEK293T, and U2Os cells in a dose-dependent manner. |
| References |
[1]. METTL3 inhibitors for epitranscriptomic modulation of cellular processes. bioRxiv. 2020 Oct 13. |
Solubility Data
| Solubility (In Vitro) | DMSO : 80 mg/mL (143.19 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 6 mg/mL (10.74 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 60.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. Solubility in Formulation 2: ≥ 5.5 mg/mL (9.84 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 55.0 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 3: ≥ 5.5 mg/mL (9.84 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 55.0 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 | 1.7898 mL | 8.9492 mL | 17.8984 mL | |
| 5 mM | 0.3580 mL | 1.7898 mL | 3.5797 mL | |
| 10 mM | 0.1790 mL | 0.8949 mL | 1.7898 mL |