Physicochemical Properties
| Molecular Formula | C74H84CL4N10O13 |
| Molecular Weight | 1463.32997512817 |
| Exact Mass | 1462.494 |
| CAS # | 2249944-98-5 |
| PubChem CID | 138911383 |
| Appearance | White to off-white solid powder |
| LogP | 9.5 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 15 |
| Rotatable Bond Count | 30 |
| Heavy Atom Count | 101 |
| Complexity | 2550 |
| 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(NCCCOCCOCCOCCCNC(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 | AQFZQNOXRSZHMG-PQMVWXROSA-N |
| InChi Code | InChI=1S/C74H84Cl4N10O13/c1-47(2)100-61-41-57(95-5)25-27-59(61)71-81-67(49-9-17-53(75)18-10-49)69(51-13-21-55(77)22-14-51)87(71)73(93)85-33-31-83(65(91)45-85)43-63(89)79-29-7-35-97-37-39-99-40-38-98-36-8-30-80-64(90)44-84-32-34-86(46-66(84)92)74(94)88-70(52-15-23-56(78)24-16-52)68(50-11-19-54(76)20-12-50)82-72(88)60-28-26-58(96-6)42-62(60)101-48(3)4/h9-28,41-42,47-48,67-70H,7-8,29-40,43-46H2,1-6H3,(H,79,89)(H,80,90)/t67-,68-,69+,70+/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-[3-[2-[2-[3-[[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]propoxy]ethoxy]ethoxy]propyl]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 : ~100 mg/mL (~68.34 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 0.62 mg/mL (0.42 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 6.2 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 | 0.6834 mL | 3.4169 mL | 6.8337 mL | |
| 5 mM | 0.1367 mL | 0.6834 mL | 1.3667 mL | |
| 10 mM | 0.0683 mL | 0.3417 mL | 0.6834 mL |