Physicochemical Properties
| Molecular Formula | C70H76CL4N10O12 |
| Molecular Weight | 1391.22425365448 |
| Exact Mass | 1390.436 |
| CAS # | 2249944-99-6 |
| PubChem CID | 138911384 |
| Appearance | Off-white to light yellow solid powder |
| LogP | 8.9 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 14 |
| Rotatable Bond Count | 25 |
| Heavy Atom Count | 96 |
| Complexity | 2460 |
| Defined Atom Stereocenter Count | 4 |
| SMILES | ClC1C=CC(=CC=1)[C@H]1[C@@H](C2C=CC(=CC=2)Cl)N=C(C2C=CC(=CC=2OC(C)C)OC)N1C(N1CC(N(CC(NCCOCCOCCNC(CN2C(CN(CC2)C(N2C(C3C=CC(=CC=3OC(C)C)OC)=N[C@H](C3C=CC(=CC=3)Cl)[C@@H]2C2C=CC(=CC=2)Cl)=O)=O)=O)=O)CC1)=O)=O |
| InChi Key | WZLSSHVSGKCEKQ-AKOOKZATSA-N |
| InChi Code | InChI=1S/C70H76Cl4N10O12/c1-43(2)95-57-37-53(91-5)23-25-55(57)67-77-63(45-7-15-49(71)16-8-45)65(47-11-19-51(73)20-12-47)83(67)69(89)81-31-29-79(61(87)41-81)39-59(85)75-27-33-93-35-36-94-34-28-76-60(86)40-80-30-32-82(42-62(80)88)70(90)84-66(48-13-21-52(74)22-14-48)64(46-9-17-50(72)18-10-46)78-68(84)56-26-24-54(92-6)38-58(56)96-44(3)4/h7-26,37-38,43-44,63-66H,27-36,39-42H2,1-6H3,(H,75,85)(H,76,86)/t63-,64-,65+,66+/m1/s1 |
| Chemical Name | 2-[4-[(4R,5S)-4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazole-1-carbonyl]-2-oxopiperazin-1-yl]-N-[2-[2-[2-[[2-[4-[(4R,5S)-4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazole-1-carbonyl]-2-oxopiperazin-1-yl]acetyl]amino]ethoxy]ethoxy]ethyl]acetamide |
| 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 (e.g. under nitrogen), 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]. Method of inducing of self-degradation of MDM2 using E3 ubiquitin ligase dimer amide small molecule PROTACs. CN108610333A. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~50 mg/mL (~35.94 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (1.80 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 (1.80 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 | 0.7188 mL | 3.5940 mL | 7.1879 mL | |
| 5 mM | 0.1438 mL | 0.7188 mL | 1.4376 mL | |
| 10 mM | 0.0719 mL | 0.3594 mL | 0.7188 mL |