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| 5mg |
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| Targets |
This compound targets the protein-protein interaction between p53 and MDM2. MDM2 is an E3 ubiquitin ligase that binds to p53 and promotes its degradation, thereby negatively regulating p53 tumor suppressor activity. By inhibiting this interaction, the compound stabilizes p53 and restores its tumor suppressor functions.
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|---|---|
| ln Vitro |
In vitro, this compound acts as an inhibitor of the p53-MDM2 protein-protein interaction. It stabilizes p53 by preventing MDM2-mediated degradation, leading to the reactivation of p53 tumor suppressor activity. The compound's activity is typically assessed using cell-based assays that measure p53 stabilization, transcriptional activity, and induction of apoptosis in cancer cells.
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| ln Vivo |
In vivo activity data for this compound are limited in the available literature. As an inhibitor of the p53-MDM2 interaction, it has potential applications in cancer therapy by restoring p53 function in tumors. Further in vivo studies are needed to evaluate its efficacy and safety in animal models of cancer.
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| Enzyme Assay |
In vitro protein-protein interaction assays for this compound are performed using purified p53 and MDM2 proteins or using cell-based assays such as co-immunoprecipitation or AlphaScreen technology. The compound's ability to disrupt the p53-MDM2 interaction is measured by quantifying the reduction in binding between the two proteins.
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| Cell Assay |
In vitro cellular assays for this compound are performed using cancer cell lines with wild-type p53. Cells are treated with the compound, and p53 protein levels are measured by Western blotting. p53 transcriptional activity is assessed by measuring the expression of p53 target genes such as p21 and PUMA. Apoptosis is evaluated using annexin V staining or caspase activity assays.
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| Animal Protocol |
In vivo animal experiments for this compound are not extensively documented. As a potential anti-cancer agent, in vivo studies would typically involve administration to mouse xenograft models bearing p53 wild-type tumors. The compound would be administered via oral or intraperitoneal routes, and efficacy would be assessed by measuring tumor volume reduction, p53 activation markers, and apoptosis.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of this compound have not been systematically characterized. The compound has a molecular weight of 734.75 and molecular formula C₄₀H₄₉Cl₂N₅O₄. It is supplied as a research compound. Further PK studies are needed to determine its absorption, distribution, metabolism, and excretion profile.
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| Toxicity/Toxicokinetics |
Toxicological data for this compound are not extensively reported. As a research-use compound, its safety profile has not been formally evaluated in comprehensive preclinical toxicology studies. The compound is intended for research purposes only and is not approved for human therapeutic use. Standard laboratory safety precautions should be followed.
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| References | |
| Additional Infomation |
p53 and MDM2 proteins-interaction-inhibitor chiral (Compound 32) is an inhibitor of the p53-MDM2 protein-protein interaction with CAS number 939981-37-0, molecular formula C₄₀H₄₉Cl₂N₅O₄, and molecular weight 734.75. It stabilizes p53 and restores its tumor suppressor function. This product is for research use only.
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| Molecular Formula |
C40H49N5O4CL2
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|---|---|
| Molecular Weight |
734.75416
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| Exact Mass |
733.316
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| CAS # |
939981-37-0
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| Related CAS # |
p53 and MDM2 proteins-interaction-inhibitor dihydrochloride;2070009-27-5;p53 and MDM2 proteins-interaction-inhibitor (racemic);939983-14-9
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| PubChem CID |
17754765
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| Appearance |
White to off-white solid powder
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| Density |
1.24g/cm3
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| Boiling Point |
788.563ºC at 760 mmHg
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| Flash Point |
430.708ºC
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| LogP |
6.366
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
8
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| Heavy Atom Count |
51
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| Complexity |
1230
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| Defined Atom Stereocenter Count |
2
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| SMILES |
CCOC1=C(C=CC(=C1)C(C)(C)C)C2=N[C@@]([C@@](N2C(=O)N3CCN(CC3)CC(=O)N4CCOCC4)(C)C5=CC=C(C=C5)Cl)(C)C6=CC=C(C=C6)Cl
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| InChi Key |
DJZBZZRLUQDRII-IOLBBIBUSA-N
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| InChi Code |
InChI=1S/C40H49Cl2N5O4/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/t39-,40+/m0/s1
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| 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
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| HS Tariff Code |
2934.99.9001
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| 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)
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| Solubility (In Vitro) |
DMSO : ~50 mg/mL (~68.05 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 3.25 mg/mL (4.42 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 32.5 mg/mL clear DMSO stock solution to 400 μL of PEG300 and mix evenly; then add 50 μL of Tween-80 to the above solution and mix evenly; then add 450 μL of 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: ≥ 3.25 mg/mL (4.42 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 32.5 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 | 1.3610 mL | 6.8050 mL | 13.6101 mL | |
| 5 mM | 0.2722 mL | 1.3610 mL | 2.7220 mL | |
| 10 mM | 0.1361 mL | 0.6805 mL | 1.3610 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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