| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 50mg |
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| Other Sizes |
| Targets |
CBP/EP300[1]
CBP/p300-IN-1 targets the CBP/EP300 bromodomain, which is a protein-protein interaction module that recognizes acetylated lysine residues on histone proteins. CBP and p300 are histone acetyltransferases (HATs) that play crucial roles in gene transcription regulation. By inhibiting the bromodomain, CBP/p300-IN-1 reduces histone acetylation and modulates gene transcription. The compound's mechanism involves blocking the interaction between CBP/p300 and acetylated histones, thereby affecting cell growth and gene expression. |
|---|---|
| ln Vitro |
CBP/p300-IN-1 demonstrates potent in vitro activity as a CBP/EP300 bromodomain inhibitor. It reduces histone acetylation by inhibiting CBP/p300 enzymatic activity. The compound's activity is typically assessed in biochemical assays measuring bromodomain binding affinity and cellular assays measuring histone acetylation levels and gene expression changes. As an ester prodrug, it is designed to enhance cellular permeability and oral bioavailability.
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| ln Vivo |
In vivo studies for CBP/p300-IN-1 have not been extensively documented in the available literature. As a CBP/EP300 bromodomain inhibitor, it has potential for in vivo applications in cancer and other diseases where epigenetic dysregulation is involved. Studies in appropriate animal models would be needed to evaluate its in vivo efficacy, pharmacokinetics, and safety profile. The compound's prodrug design suggests potential for improved bioavailability.
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| Enzyme Assay |
For bromodomain binding assays, CBP/p300-IN-1 is tested against CBP/EP300 bromodomains using AlphaScreen, TR-FRET, or surface plasmon resonance (SPR) assays. Binding affinities (IC50 or Kd values) are calculated from dose-response curves. For cellular assays, cells are treated with the compound and histone acetylation levels are assessed by Western blot using antibodies against acetylated histones. Gene expression changes are evaluated by qRT-PCR or RNA-seq.
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| Cell Assay |
For cellular studies, appropriate cell lines are cultured in appropriate media and treated with CBP/p300-IN-1 at various concentrations. Cells are incubated for 24-72 hours, and histone acetylation is assessed by Western blot using antibodies against acetylated histone H3 or H4. Cell proliferation is measured by MTT or BrdU incorporation assays. Gene expression changes are evaluated by qRT-PCR or microarray analysis. Cell cycle analysis and apoptosis assays may be conducted to elucidate the mechanism of action.
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| Animal Protocol |
For in vivo efficacy studies, appropriate animal models of cancer or other diseases would be used. CBP/p300-IN-1 would be administered via oral or intraperitoneal routes at various doses. Tumor volume would be measured, and body weight monitored for toxicity. Histone acetylation and gene expression changes in tumor tissues would be assessed. Pharmacokinetic parameters including half-life, clearance, and tissue distribution would be determined. However, detailed in vivo protocols for CBP/p300-IN-1 have not been extensively reported.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of CBP/p300-IN-1 have not been fully characterized in the available literature. The compound has a molecular formula of C23H23FN2O5 and a molecular weight of 426.44. It is a solid with solubility in DMSO at 55 mg/mL. Purity is ≥98%. Powder should be stored at -20°C for 3 years or 4°C for 2 years. The compound is an ester prodrug designed for enhanced bioavailability.
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| Toxicity/Toxicokinetics |
CBP/p300-IN-1 is a research compound intended for laboratory use only and is not approved for human therapeutic use. As a CBP/EP300 bromodomain inhibitor, it reduces histone acetylation and modulates gene transcription and cell growth. Standard laboratory safety precautions should be followed when handling this compound. Storage at -20°C or 4°C is recommended.
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| References | |
| Additional Infomation |
CBP/p300-IN-1 is a CBP/EP300 bromodomain inhibitor with molecular formula C23H23FN2O5 and molecular weight 426.44. It is an ester prodrug derivative of a potent CBP/EP300 bromodomain ligand. The compound reduces histone acetylation by inhibiting CBP/p300 enzymatic activity, modulating gene transcription and cell growth. It is for research use only and has not been approved for clinical applications. Purity ≥98% and storage at -20°C or 4°C is recommended.
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| Molecular Formula |
C23H23FN2O5
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|---|---|
| Molecular Weight |
426.44
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| Exact Mass |
426.159
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| CAS # |
2443789-32-8
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| PubChem CID |
137628649
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| Appearance |
White to off-white solid powder
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| Density |
1.24±0.1 g/cm3(Predicted)
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| Boiling Point |
496.1±45.0 °C(Predicted)
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| LogP |
3.6
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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 |
6
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| Heavy Atom Count |
31
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| Complexity |
694
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CC(=O)N1C=C(C2=C1C=CC(=C2)OC)C(=O)NC3=C(C=CC(=C3)C(=O)OC(C)(C)C)F
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| InChi Key |
BNTANBUTBDVIHY-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C23H23FN2O5/c1-13(27)26-12-17(16-11-15(30-5)7-9-20(16)26)21(28)25-19-10-14(6-8-18(19)24)22(29)31-23(2,3)4/h6-12H,1-5H3,(H,25,28)
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| Chemical Name |
tert-butyl 3-[(1-acetyl-5-methoxyindole-3-carbonyl)amino]-4-fluorobenzoate
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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 : 62.5 mg/mL (146.56 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (4.88 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 (4.88 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 20.8 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 | 2.3450 mL | 11.7250 mL | 23.4500 mL | |
| 5 mM | 0.4690 mL | 2.3450 mL | 4.6900 mL | |
| 10 mM | 0.2345 mL | 1.1725 mL | 2.3450 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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