| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
|
||
| 5mg |
|
||
| Other Sizes |
| Targets |
Von Hippel-Lindau (VHL) E3 ubiquitin ligase. However, CMP98 connects the active sites of two VHL ligands but is unable to induce VHL degradation due to its unique linker geometry. It is utilized as a negative control (NC) compound for the active degrader CM11.
|
|---|---|
| ln Vitro |
In vitro, CMP98 shows no degradation activity against VHL or any other protein at concentrations up to 10 uM. It may still bind to VHL via the ligand warheads, but the bivalent binding does not lead to productive ubiquitination. It serves as an important control for specificity.
|
| ln Vivo |
No in vivo activity is expected. CMP98 is used only as a negative control in cell-based assays to confirm that the biological effects observed with the active degrader CM11 are specifically due to target degradation and not due to off-target effects or the VHL-binding moiety alone.
|
| Enzyme Assay |
A non-cell assay is performed to confirm lack of ubiquitination activity. Purified VHL-Elongin B-Elongin C complex, E1/E2 enzymes, and ubiquitin are incubated with CMP98 (1-10 uM). After 1 hour, the reaction is analyzed by Western blot for polyubiquitination; no ubiquitin chains are detected compared to the active degrader.
|
| Cell Assay |
For cell studies, cells responsive to CM11 are treated with CMP98 in parallel as a negative control. Cells are treated with 1-10 uM CMP98 for 6-24 hours. Lysates are analyzed by Western blot for the target protein (e.g., VHL or a CM11 target). CMP98 should cause no degradation, confirming that the effect of CM11 is specific.
|
| Animal Protocol |
No animal studies are intended for CMP98. It is used exclusively in in vitro cell-based assays as a negative control. In rare cases, it may be co-administered with CM11 in animal studies to demonstrate specificity, but such use is not documented.
|
| ADME/Pharmacokinetics |
The compound has MW 1179.45. It contains a long PEG-based spacer and two thiazole-containing VHL-binding motifs. Its PK properties are not characterized, as it is not used for efficacy studies. It is soluble in DMSO.
|
| Toxicity/Toxicokinetics |
No toxicity data are available. As an inactive control, it is expected to have lower toxicity than the active degrader. At typical concentrations (1-10 uM) in cell culture, no significant cytotoxicity is observed. Standard laboratory safety precautions apply.
|
| References | |
| Additional Infomation |
CMP98 is a negative control compound for CM11 in PROTAC research. It contains the same VHL-binding ligands as the active degrader but is engineered to be inactive, allowing researchers to control for any effects caused by the VHL-binding moiety alone. It is for research use only. Store at -20degC.
|
| Molecular Formula |
C58H82N8O14S2
|
|---|---|
| Molecular Weight |
1179.4469
|
| Exact Mass |
1178.539
|
| CAS # |
2244684-50-0
|
| PubChem CID |
134160243
|
| Appearance |
White to off-white solid powder
|
| LogP |
3.6
|
| Hydrogen Bond Donor Count |
6
|
| Hydrogen Bond Acceptor Count |
18
|
| Rotatable Bond Count |
33
|
| Heavy Atom Count |
82
|
| Complexity |
1870
|
| Defined Atom Stereocenter Count |
6
|
| SMILES |
S1C([H])=NC(C([H])([H])[H])=C1C1C([H])=C([H])C(=C([H])C=1[H])C([H])([H])N([H])C([C@]1([H])C([H])([H])[C@@]([H])(C([H])([H])N1C([C@]([H])(C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])N([H])C(C([H])([H])OC([H])([H])C([H])([H])OC([H])([H])C([H])([H])OC([H])([H])C([H])([H])OC([H])([H])C([H])([H])OC([H])([H])C([H])([H])OC([H])([H])C(N([H])[C@]([H])(C(N1C([H])([H])[C@]([H])(C([H])([H])[C@@]1([H])C(N([H])C([H])([H])C1C([H])=C([H])C(C2=C(C([H])([H])[H])N=C([H])S2)=C([H])C=1[H])=O)O[H])=O)C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])=O)=O)=O)O[H])=O
|
| InChi Key |
WGJCHHJGGFCCRS-NFXWONMQSA-N
|
| InChi Code |
InChI=1S/C58H82N8O14S2/c1-37-49(81-35-61-37)41-13-9-39(10-14-41)29-59-53(71)45-27-43(67)31-65(45)55(73)51(57(3,4)5)63-47(69)33-79-25-23-77-21-19-75-17-18-76-20-22-78-24-26-80-34-48(70)64-52(58(6,7)8)56(74)66-32-44(68)28-46(66)54(72)60-30-40-11-15-42(16-12-40)50-38(2)62-36-82-50/h9-16,35-36,43-46,51-52,67-68H,17-34H2,1-8H3,(H,59,71)(H,60,72)(H,63,69)(H,64,70)/t43-,44-,45-,46-,51+,52+/m0/s1
|
| Chemical Name |
(2S,4S)-4-hydroxy-1-[(2S)-2-[[2-[2-[2-[2-[2-[2-[2-[[(2S)-1-[(2S,4S)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
|
| 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)
|
| Solubility (In Vitro) |
DMSO :~120 mg/mL (~101.74 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 3 mg/mL (2.54 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 30.0 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: ≥ 3 mg/mL (2.54 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 30.0 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. View More
Solubility in Formulation 3: ≥ 3 mg/mL (2.54 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 0.8479 mL | 4.2393 mL | 8.4785 mL | |
| 5 mM | 0.1696 mL | 0.8479 mL | 1.6957 mL | |
| 10 mM | 0.0848 mL | 0.4239 mL | 0.8479 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.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
