Description: CeMMEC13 is a selective inhibitor of TAF1.
| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 25mg |
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| 50mg |
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| 100mg |
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| 250mg |
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Purity: ≥98%
| Targets |
TAF1 ( IC50 = 2.1 μM )
TAF1 (TATA-box binding protein-associated factor 1). CeMMEC13 selectively targets the second bromodomain (BD2) of TAF1. Bromodomains are protein modules that recognize and bind to acetylated lysine residues on histones and other proteins, recruiting regulatory complexes to chromatin and influencing gene expression. By binding to TAF1-BD2, CeMMEC13 competitively inhibits its interaction with acetylated histones, leading to the disruption of TAF1-dependent transcriptional programs. CeMMEC13 shows little or no effects on other bromodomains such as BRD4, BRD9, CREBBP, or EP300. |
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| ln Vitro |
CeMMEC13 has an IC50 of 2.1 μM, making it a nevel inhibitor of the TAF1 (2) bromodomain. CeMMEC13 exhibits negligible or no effects on BRD4, CREBBP, and REDNESS. CeMMEC13 (0–20 μM) combined with (S)–JQ1 effectively lowers H23 and THP1 cell viability while also increasing RFP expression in REDS3 cells, outperforming single treatment[1].
In vitro, CeMMEC13 is a potent inhibitor of the TAF1(2) bromodomain, with an IC50 of 2.1 μM. It demonstrates a Kd of approximately 0.160 μM as determined by Isothermal Titration Calorimetry (ITC). The compound shows little or no effects on REDNESS, BRD4, and CREBBP. CeMMEC13 (0-20 μM) in combination with (S)-JQ1 increases RFP expression in REDS3 cells and is effective in reducing the viability of H23 and THP1 cells, an effect that is better than that of single treatment. |
| ln Vivo |
In vivo activity data for CeMMEC13 is emerging. A genome-wide CRISPR screen identified TAF1C as an epigenetic determinant of lipid deposition, and CeMMEC13, as an inhibitor of TAF1, significantly alleviates hepatic steatosis in vivo. Knockdown of TAF1C also ameliorates lipid accumulation in steatotic hepatocytes both in vitro and in vivo. These findings suggest that CeMMEC13 has potential in vivo efficacy in models of metabolic dysfunction-associated steatotic liver disease (MASLD).
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| Enzyme Assay |
The inhibitory activity and selectivity of CeMMEC13 have been characterized through various biochemical assays. The primary assay used to determine its potency is the Homogeneous Time-Resolved Fluorescence (HTRF) assay, which yielded an IC50 of 2.1 μM. Isothermal Titration Calorimetry (ITC) was employed to measure the binding affinity (Kd) of CeMMEC13 to TAF1-BD2, which was found to be approximately 0.160 μM. Selectivity profiling against other bromodomains, such as BRD4 and CREBBP, is typically performed using similar HTRF or other competitive binding assays to confirm its specificity for TAF1(2).
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| Cell Assay |
Cellular assays for CeMMEC13 involve treating various cell lines with the compound to assess its effects on gene expression and cell viability. In H23 (lung adenocarcinoma) and THP-1 (acute monocytic leukemia) cells, CeMMEC13 has been shown to reduce cell viability, particularly in combination with the BET inhibitor JQ1. The compound's ability to modulate TAF1-dependent transcriptional programs can be studied by measuring the expression of target genes using qRT-PCR or RNA-seq. Chromatin immunoprecipitation (ChIP) assays can be used to assess the effects of CeMMEC13 on TAF1 occupancy at gene promoters.
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| Animal Protocol |
In vivo animal model protocols for CeMMEC13 are still being developed. One study used CeMMEC13 to investigate the role of TAF1C in hepatic steatosis. In this model, the compound was likely administered to mice to evaluate its effect on alleviating lipid accumulation. The specific dosing regimen, route of administration, and duration of treatment are not detailed in the available references. Further studies are needed to establish standardized in vivo protocols for CeMMEC13.
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| ADME/Pharmacokinetics |
Specific pharmacokinetic data for CeMMEC13 is not extensively detailed in the available literature. As a research chemical probe, its pharmacokinetic properties may not be fully optimized for in vivo use. The compound is soluble in DMSO at 62 mg/mL (184.33 mM) but is insoluble in water. It is typically stored as a powder at -20°C for up to 3 years. The compound's molecular weight is 336.34.
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| Toxicity/Toxicokinetics |
The toxicological profile of CeMMEC13 has not been extensively studied. As a research chemical probe, its safety profile is not well-characterized. The compound is intended for research use only and is not approved for human use. Standard safety precautions should be followed when handling the compound.
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| References | |
| Additional Infomation |
CeMMEC13 (CAS# 1790895-25-8) is a potent and selective small-molecule inhibitor of the second bromodomain of TAF1. It is an isoquinolinone-based compound with a molecular weight of 336.34. CeMMEC13 serves as a valuable chemical probe to elucidate the biological functions of the TAF1 bromodomains and explore their therapeutic potential in diseases such as cancer and metabolic dysfunction-associated steatotic liver disease (MASLD). It is supplied as a white to off-white solid powder and is intended for research use only.
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| Molecular Formula |
C19H16N2O4
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| Molecular Weight |
336.35
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| Exact Mass |
336.11
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| Elemental Analysis |
C, 67.85; H, 4.80; N, 8.33; O, 19.03
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| CAS # |
1790895-25-8
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| Related CAS # |
1790895-25-8
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| PubChem CID |
110694558
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| Appearance |
Solid powder
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| Density |
1.4±0.1 g/cm3
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| Boiling Point |
541.4±50.0 °C at 760 mmHg
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| Flash Point |
281.2±30.1 °C
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| Vapour Pressure |
0.0±1.4 mmHg at 25°C
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| Index of Refraction |
1.673
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| LogP |
2.69
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
25
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| Complexity |
576
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O1CCOC2C=CC(=CC1=2)NC(C1=CC(N(C)C2C=CC=CC=21)=O)=O
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| InChi Key |
NXKBPGZQDHACPZ-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C19H16N2O4/c1-21-15-5-3-2-4-13(15)14(11-18(21)22)19(23)20-12-6-7-16-17(10-12)25-9-8-24-16/h2-7,10-11H,8-9H2,1H3,(H,20,23)
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| Chemical Name |
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-2-oxoquinoline-4-carboxamide
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| Synonyms |
CeMMEC-13; CeMMEC 13; CeMMEC13
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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 : 16.7~67 mg/mL(49.6~199.2 mM)
Ethanol : 6 mg/mL (~17.8 mM) |
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (7.43 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 25.0 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: ≥ 2.5 mg/mL (7.43 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 25.0 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: ≥ 2.5 mg/mL (7.43 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 | 2.9731 mL | 14.8655 mL | 29.7309 mL | |
| 5 mM | 0.5946 mL | 2.9731 mL | 5.9462 mL | |
| 10 mM | 0.2973 mL | 1.4865 mL | 2.9731 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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