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| Targets |
CCG-257081 targets the Rho/MRTF/SRF transcriptional pathway. More precisely, it binds to the iron-dependent co-transcription factor pirin, which is a key regulator of MRTF/SRF-mediated transcription. By binding to pirin, CCG-257081 disrupts the interaction between pirin and its partners, thereby inhibiting MRTF/SRF-driven gene expression. This pathway is critical for the expression of pro-fibrotic and pro-metastatic genes, making CCG-257081 a valuable tool for studying fibrosis and cancer.
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| ln Vitro |
In vitro, CCG-257081 is a potent inhibitor of the Rho/MRTF/SRF pathway. It is also known as MRTF/SRF-IN-1. As an advanced inhibitor, it was developed to overcome the limitations of earlier compounds like CCG-1423 and CCG-203971, which suffered from rapid oxidative metabolism and poor solubility. Its enhanced pharmacokinetic profile and ability to co-crystallize with pirin make it a reliable probe for preclinical models.
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| ln Vivo |
CCG-257081 has demonstrated in vivo efficacy in several mouse models, showing potential in preventing bleomycin-induced fibrosis. Its enhanced pharmacokinetic profile and metabolic stability make it suitable for long-term in vivo studies, overcoming the limitations of earlier-generation compounds. The compound is used in advanced preclinical models of systemic sclerosis, chemotherapy-induced pulmonary fibrosis, and targeted therapy-resistant malignancies.
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| Enzyme Assay |
The activity of CCG-257081 as an MRTF/SRF inhibitor is assessed using in vitro reporter gene assays that measure SRF-mediated transcription. These assays involve transfecting cells with a luciferase reporter construct driven by SRF response elements. The compound's ability to inhibit SRF activity is quantified by measuring luciferase activity. Its binding to pirin can be confirmed using biophysical techniques such as co-crystallization.
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| Cell Assay |
In vitro cellular assays for CCG-257081 involve treating cells with the compound and assessing its effects on the expression of MRTF/SRF target genes. The compound's ability to inhibit pro-fibrotic and pro-metastatic gene expression is evaluated by qRT-PCR or Western blot analysis. Its effects on cell viability and proliferation can also be assessed in relevant cell lines.
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| Animal Protocol |
In vivo animal model protocols for CCG-257081 involve its administration to mouse models of fibrosis and cancer. In models of bleomycin-induced pulmonary fibrosis, the compound is typically administered to evaluate its ability to prevent or reverse fibrosis. In models of targeted therapy-resistant malignancies, its effects on tumor growth and metastasis are assessed.
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| ADME/Pharmacokinetics |
CCG-257081 has an enhanced pharmacokinetic profile, engineered to overcome the severe metabolic instability and poor aqueous solubility of earlier-generation compounds. It has a molecular weight of 473.9 g/mol and a molecular formula of C24H19ClF3N3O2. The compound is soluble in DMSO and is stable when stored in dry, dark conditions at 0-4°C for short term or -20°C for long term.
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| Toxicity/Toxicokinetics |
Specific toxicological data for CCG-257081 is not extensively detailed in the available literature. As a research compound, it is intended for research purposes only and is not designed for human therapeutic applications. Standard safety assessments would be required for clinical development.
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| References | |
| Additional Infomation |
CCG-257081 (CAS# 1922098-90-5) is a research compound used to study the Rho/MRTF/SRF pathway. It is an advanced, small-molecule inhibitor that binds to pirin and disrupts MRTF/SRF-mediated gene expression. It has a molecular formula of C24H19ClF3N3O2 and a molecular weight of 473.9 g/mol. It is not approved for clinical use and is intended for research purposes only.
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| Molecular Formula |
C24H19CLF3N3O2
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|---|---|
| Molecular Weight |
473.87477517128
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| Exact Mass |
473.111
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| CAS # |
1922098-90-5
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| PubChem CID |
121317995
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| Appearance |
White to off-white solid powder
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| LogP |
4.3
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
33
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| Complexity |
698
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| Defined Atom Stereocenter Count |
0
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| SMILES |
N1(C(=O)C2=CC(C3C=CN=CC=3)=CC(F)=C2)CC(F)(F)CC(C(NC2=CC=C(Cl)C=C2)=O)C1
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| InChi Key |
BEDJWRJGMARXLZ-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C24H19ClF3N3O2/c25-19-1-3-21(4-2-19)30-22(32)18-12-24(27,28)14-31(13-18)23(33)17-9-16(10-20(26)11-17)15-5-7-29-8-6-15/h1-11,18H,12-14H2,(H,30,32)
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| Chemical Name |
N-(4-chlorophenyl)-5,5-difluoro-1-(3-fluoro-5-pyridin-4-ylbenzoyl)piperidine-3-carboxamide
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| Synonyms |
CCG257081; CCG 257081; CCG-257081
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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 (~211.0 mM; with ultrasonication)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 5 mg/mL (10.55 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween-80 + 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 DMSO stock solution (50.0 mg/mL) to 400 μL of PEG300 and mix well; then add 50 μL of Tween-80 and mix well; finally add 450 μL of physiological saline and 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: ≥ 5 mg/mL (10.55 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 DMSO stock solution (50.0 mg/mL) to 900 μL of corn oil and mix well. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.1103 mL | 10.5514 mL | 21.1028 mL | |
| 5 mM | 0.4221 mL | 2.1103 mL | 4.2206 mL | |
| 10 mM | 0.2110 mL | 1.0551 mL | 2.1103 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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