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| 10mg |
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| Targets |
CMPD1 targets the MK2a (mitogen-activated protein kinase-activated protein kinase 2) substrate in the p38 MAPK signaling pathway. It selectively inhibits the phosphorylation of MK2a by p38α without competing with ATP. The apparent Ki (Kiapp) for this inhibition is 330 nM. By blocking the p38α-mediated phosphorylation of MK2a, CMPD1 modulates downstream signaling pathways involved in cytokine production, cell cycle regulation, and cytoskeletal remodeling.
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| ln Vitro |
The phosphorylation of MBP and ATF2, two additional substrates mediated by p38 MAPK, is not inhibited by CMPD1 [1]. In U87 cells, CMPD1 causes apoptosis and mitotic arrest [1]. In glioblastoma cells, CMPD1 suppresses tubulin polymerization [3].
In vitro, CMPD1 selectively inhibits p38α-mediated MK2 phosphorylation with an apparent Ki (Kiapp) of 330 nM. The compound is a non-ATP-competitive inhibitor, meaning it does not compete with ATP for binding to the kinase active site. This substrate-selective mechanism provides specificity for the p38α-MK2 interaction without affecting other p38α substrates or other kinases. The compound is used as a research tool to study the role of MK2 in cellular signaling. |
| ln Vivo |
In vivo, CMPD1 is used in preclinical research to study the role of the p38 MAPK-MK2 pathway in various disease models. By inhibiting MK2 phosphorylation, the compound modulates cytokine production and inflammatory responses. It has been investigated in models of inflammation, cancer, and other diseases where the p38-MK2 pathway is implicated. Detailed in vivo pharmacokinetic and pharmacodynamic data are available in research publications.
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| Enzyme Assay |
In vitro enzyme assays for CMPD1 measure its inhibition of p38α-mediated MK2 phosphorylation. The assay typically uses recombinant p38α kinase and MK2 substrate in the presence of ATP and varying concentrations of the compound. The extent of MK2 phosphorylation is quantified using phospho-specific antibodies or radioactive phosphate incorporation. The apparent Ki (Kiapp) is calculated from inhibition curves. The compound's non-ATP-competitive mechanism is confirmed by varying ATP concentrations in the assay.
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| Cell Assay |
In vitro cell-based assays for CMPD1 use cell lines treated with the compound, followed by stimulation with stress or inflammatory stimuli that activate the p38 MAPK pathway. MK2 phosphorylation is measured by Western blotting using phospho-specific antibodies. Downstream effects on cytokine production (e.g., TNFα, IL-6) are assessed by ELISA. Cell viability and proliferation are measured using MTT or other assays. The compound's selectivity is confirmed by testing against other kinases and signaling pathways.
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| Animal Protocol |
In vivo animal models for CMPD1 include mouse models of inflammation and autoimmune disease. The compound is administered orally or intraperitoneally, and its effects on inflammatory cytokine production and disease severity are evaluated. Pharmacodynamic studies measure MK2 phosphorylation in target tissues. Efficacy is assessed by clinical scoring, histopathology, and measurement of inflammatory markers. Dose-response studies establish the effective dose for 50% inhibition of the target (ED50).
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of CMPD1 have been characterized in preclinical studies. As a small-molecule inhibitor with a molecular weight of 349.4 g/mol, the compound is suitable for oral administration. Its solubility, permeability, and metabolic stability are documented in research publications. The compound's half-life, clearance, and volume of distribution are determined from pharmacokinetic studies in rodents. Detailed PK parameters are available in the scientific literature.
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| Toxicity/Toxicokinetics |
Toxicity data for CMPD1 are available from preclinical safety studies. As a kinase inhibitor, the compound's toxicity profile is assessed in standard toxicology studies in rodents and other species. The no-observed-adverse-effect level (NOAEL) and maximum tolerated dose (MTD) are determined from dose-escalation studies. Target-related toxicities, including effects on immune function and hematopoiesis, are evaluated. The compound's safety margin is calculated from the therapeutic window.
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| References |
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| Additional Infomation |
4-[4-(2-fluorophenyl)phenyl]-N-(4-hydroxyphenyl)butanamide is a member of the biphenyl class of compounds.
CMPD1 is a research compound used as a tool for studying the p38 MAPK-MK2 signaling pathway. It is not approved for clinical use. The compound's non-ATP-competitive, substrate-selective mechanism makes it a valuable tool for dissecting the specific role of MK2 in p38-mediated cellular responses. Its ability to selectively inhibit MK2 phosphorylation without affecting other p38 substrates provides insights into the functional specificity of the p38-MK2 axis. |
| Molecular Formula |
C22H20FNO2
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|---|---|
| Molecular Weight |
349.4
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| Exact Mass |
349.148
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| CAS # |
41179-33-3
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| PubChem CID |
11382492
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| Appearance |
Off-white to light brown solid powder
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| Density |
1.229g/cm3
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| Boiling Point |
585ºC at 760 mmHg
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| Flash Point |
307.6ºC
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| Index of Refraction |
1.627
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| LogP |
5.232
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
6
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| Heavy Atom Count |
26
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| Complexity |
428
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
ODYAQBDIXCVKAE-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C22H20FNO2/c23-21-6-2-1-5-20(21)17-10-8-16(9-11-17)4-3-7-22(26)24-18-12-14-19(25)15-13-18/h1-2,5-6,8-15,25H,3-4,7H2,(H,24,26)
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| Chemical Name |
4-[4-(2-fluorophenyl)phenyl]-N-(4-hydroxyphenyl)butanamide
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| Synonyms |
CMPD 1; CMPD-1; CMPD1
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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 : ~100 mg/mL (~286.20 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (5.95 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 20.8 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: ≥ 2.08 mg/mL (5.95 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 20.8 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: ≥ 2.08 mg/mL (5.95 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 | 2.8620 mL | 14.3102 mL | 28.6205 mL | |
| 5 mM | 0.5724 mL | 2.8620 mL | 5.7241 mL | |
| 10 mM | 0.2862 mL | 1.4310 mL | 2.8620 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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