Physicochemical Properties
| Molecular Formula | C23H28N8O2 |
| Molecular Weight | 448.520823478699 |
| Exact Mass | 448.233 |
| CAS # | 802555-85-7 |
| PubChem CID | 416381 |
| Appearance | White to off-white solid powder |
| LogP | -0.1 |
| Hydrogen Bond Donor Count | 6 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 8 |
| Heavy Atom Count | 33 |
| Complexity | 680 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | O=C(NCCCNC(NC1C=C(C2NCCN=2)C=CC=1)=O)NC1C=C(C2NCCN=2)C=CC=1 |
| InChi Key | HHFOXYBNULCICF-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C23H28N8O2/c32-22(30-18-6-1-4-16(14-18)20-24-10-11-25-20)28-8-3-9-29-23(33)31-19-7-2-5-17(15-19)21-26-12-13-27-21/h1-2,4-7,14-15H,3,8-13H2,(H,24,25)(H,26,27)(H2,28,30,32)(H2,29,31,33) |
| Chemical Name | 1-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[3-[[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]propyl]urea |
| 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 | M36, a p32 inhibitor, has an IC50 of 77.9 μM in full medium, which is more efficient at inhibiting the growth of SF188 glioma cells when glucose levels are low (IC50 of 7.3 μM) [1]. M36, a p32 inhibitor, is specific to cells that overexpress p32 [1]. With an IC50 of 2.8 μM, p32 Inhibitor M36 is another strong neurosphere inhibitor developed from patients [1]. |
| References |
[1]. A novel small molecule inhibitor of p32 mitochondrial protein overexpressed in glioma. J Transl Med. 2017 Oct 18;15(1):210. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~5 mg/mL (~11.15 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: 1.82 mg/mL (4.06 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 18.2 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: ≥ 1.82 mg/mL (4.06 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 18.2 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 | 2.2296 mL | 11.1478 mL | 22.2955 mL | |
| 5 mM | 0.4459 mL | 2.2296 mL | 4.4591 mL | |
| 10 mM | 0.2230 mL | 1.1148 mL | 2.2296 mL |