Physicochemical Properties
| Molecular Formula | C40H51CL4N5O4 |
| Molecular Weight | 807.676046609879 |
| Exact Mass | 769.292 |
| CAS # | 2070009-27-5 |
| Related CAS # | p53 and MDM2 proteins-interaction-inhibitor (chiral);939981-37-0;p53 and MDM2 proteins-interaction-inhibitor (racemic);939983-14-9 |
| PubChem CID | 171042749 |
| Appearance | White to off-white solid powder |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 8 |
| Heavy Atom Count | 52 |
| Complexity | 1230 |
| Defined Atom Stereocenter Count | 2 |
| SMILES | Cl.C[C@@]1(C2C=CC(Cl)=CC=2)[C@](C2C=CC(Cl)=CC=2)(N=C(C2C=CC(C(C)(C)C)=CC=2OCC)N1C(N1CCN(CC(N2CCOCC2)=O)CC1)=O)C.Cl |
| InChi Key | PJEIMTSXUBBQNH-FYDKJVHYSA-N |
| InChi Code | InChI=1S/C40H49Cl2N5O4.ClH/c1-7-51-34-26-30(38(2,3)4)12-17-33(34)36-43-39(5,28-8-13-31(41)14-9-28)40(6,29-10-15-32(42)16-11-29)47(36)37(49)46-20-18-44(19-21-46)27-35(48)45-22-24-50-25-23-45;/h8-17,26H,7,18-25,27H2,1-6H3;1H/t39-,40+;/m0./s1 |
| Chemical Name | 2-[4-[(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]piperazin-1-yl]-1-morpholin-4-ylethanone;hydrochloride |
| 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 Note: Please store this product in a sealed and protected environment, avoid exposure to moisture. |
| 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]. A Fusion Protein of the p53 Transaction Domain and the p53-Binding Domain of the Oncoprotein MdmX as an Efficient System for High-Throughput Screening of MdmX Inhibitors. Biochemistry. 2017 Jun 27;56(25):3273-3282. |
Solubility Data
| Solubility (In Vitro) | DMSO : 100 mg/mL (123.81 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (3.10 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 (3.10 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 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 (3.10 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 | 1.2381 mL | 6.1906 mL | 12.3811 mL | |
| 5 mM | 0.2476 mL | 1.2381 mL | 2.4762 mL | |
| 10 mM | 0.1238 mL | 0.6191 mL | 1.2381 mL |