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| Targets |
YF-2 hydrochloride targets histone acetyltransferases (HATs), specifically CBP (CREB-binding protein), PCAF (p300/CBP-associated factor), and GCN5. These enzymes are responsible for the acetylation of histone proteins, which is a key epigenetic modification that regulates gene expression. By acetylating histone H3, YF-2 hydrochloride promotes a more open chromatin structure and enhances the transcription of genes involved in learning, memory, and neuroprotection. The compound shows selectivity for CBP over PCAF and GCN5, with EC50 values of 2.75 microM, 29.04 microM, and 49.31 microM, respectively. YF-2 hydrochloride shows no detectable effect on histone deacetylases (HDACs), which remove acetyl groups from histones. This selectivity makes the compound a valuable tool for studying the specific roles of HATs in epigenetic regulation.
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| ln Vitro |
YF-2 (0.03, 0.1, 0.25, 0.5, 1, 2.5, 5, 15, 40 and 80 μM, 72 hours) suppresses the proliferation of U251, CCRF-CEM, Hs578T, NCI-ADR-RES cells [1].
YF-2 hydrochloride demonstrates potent in vitro activity as a histone acetyltransferase activator. The compound enhances histone H3 acetylation in hippocampal cells. It exhibits EC50 values of 2.75 microM for CBP, 29.04 microM for PCAF, and 49.31 microM for GCN5. The compound shows no detectable effect on HDACs, demonstrating its selectivity for HATs. YF-2 hydrochloride's activity has been characterized in various cell-based systems, particularly in neuronal cells. The compound's ability to acetylate H3 in the hippocampus suggests potential applications in learning, memory, and neuroprotection. Its selectivity and potency make it a valuable tool for studying HAT-mediated epigenetic regulation. Detailed concentration-response relationships have been reported in the literature. |
| ln Vivo |
Mice with deficits in contextual memory were saved by YF-2 (20 mg/kg, given intraperitoneally two hours before to shock, or 5 mg/kg, given 30 minutes prior to shock); 20 mg/kg had no effect on contextual memory alone. kilogram weight of a mouse [1].
In vivo, YF-2 hydrochloride has been studied for its effects on histone acetylation and cognitive function. As a BBB-permeable compound, YF-2 hydrochloride can reach the brain and enhance H3 acetylation in the hippocampus. The compound has potential applications in the treatment of cancer and Alzheimer's disease by modulating epigenetic regulation. In preclinical studies, YF-2 hydrochloride has demonstrated effects on learning and memory, consistent with its ability to enhance histone acetylation in the hippocampus. The compound's oral bioavailability and BBB penetration make it suitable for in vivo studies of epigenetic regulation in the central nervous system. Comprehensive in vivo efficacy data for YF-2 hydrochloride have been reported in the literature. The compound's favorable profile supports its use as a research tool for studying HAT biology. |
| Enzyme Assay |
In vitro enzyme/receptor binding assays for YF-2 hydrochloride involve measuring HAT enzymatic activity using biochemical assays. Recombinant HAT enzymes (CBP, PCAF, GCN5) are incubated with varying concentrations of the test compound, acetyl-CoA as the acetyl donor, and a histone or peptide substrate. The acetylation of the substrate is detected using antibodies specific to acetylated lysine residues in an ELISA or Western blot format. Alternatively, radiometric assays using [3H]-acetyl-CoA can be used. EC50 values are calculated from dose-response curves using non-linear regression analysis. Selectivity assays compare the compound's activity against HDAC enzymes to confirm its specificity. The assay is performed in appropriate buffer conditions with controls for non-specific acetylation.
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| Cell Assay |
In vitro cellular assays for YF-2 hydrochloride are performed using neuronal cell lines such as hippocampal neurons or SH-SY5Y cells. Cells are treated with varying concentrations of the test compound for various time periods. Histone acetylation is assessed by Western blot using antibodies specific to acetylated H3 or by mass spectrometry. Gene expression changes are analyzed by qRT-PCR or RNA-seq to identify genes regulated by HAT activation. Cell viability is assessed using standard assays such as MTT or CellTiter-Glo to ensure that observed effects are not due to cytotoxicity. The compound's effects on neuronal differentiation, synapse formation, or other neuronal functions can be assessed using appropriate cellular models. The BBB permeability of the compound can be assessed using in vitro models such as the hCMEC/D3 brain endothelial cell line. EC50 values for HAT activation are determined from dose-response curves.
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| Animal Protocol |
In vivo animal studies for YF-2 hydrochloride are conducted using mouse or rat models. The compound is administered via oral gavage, intraperitoneal injection, or subcutaneous injection. Following administration, brain tissues (particularly hippocampus) are collected and histone acetylation is assessed by Western blot using antibodies specific to acetylated H3. Cognitive function is assessed using behavioral tests such as the Morris water maze, novel object recognition, or contextual fear conditioning. Pharmacokinetic studies assess drug concentrations in plasma and brain tissue to confirm BBB penetration. In models of Alzheimer's disease or other neurodegenerative conditions, the compound's effects on disease pathology and cognitive function can be assessed. Body weight and clinical observations are monitored as safety indicators.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of YF-2 hydrochloride have been characterized in preclinical studies. The compound has a molecular formula of C20H23Cl2F3N2O3 and a molecular weight of 467.31 g/mol. Its chemical name is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[2-(dimethylamino)ethoxy]-6-ethoxybenzamide hydrochloride. YF-2 hydrochloride is BBB-permeable, allowing it to reach the brain and enhance H3 acetylation in the hippocampus. The compound is orally bioavailable, making it suitable for convenient dosing regimens. Comprehensive pharmacokinetic parameters including half-life, volume of distribution, clearance, and oral bioavailability have been characterized in animal models. The compound's pharmacokinetic profile supports its use in preclinical studies of epigenetic regulation. Detailed pharmacokinetic data are available in the literature.
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| Toxicity/Toxicokinetics |
YF-2 hydrochloride is intended for laboratory research use only and has not undergone comprehensive toxicology testing. As a HAT activator that modulates gene expression, the compound would be expected to have effects on cell proliferation, differentiation, and survival. Standard in vitro cytotoxicity assays in cell lines are typically performed alongside efficacy studies to rule out nonspecific toxicity. In vivo, animals are monitored for signs of toxicity including body weight changes, behavioral abnormalities, and clinical observations. The compound's effects on histone acetylation in the brain could have effects on neuronal function and behavior. Comprehensive toxicological characterization including genotoxicity, cardiotoxicity, and repeated-dose toxicity studies has not been reported in the public domain. The compound is not approved for human use and is strictly intended for research purposes.
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| References | |
| Additional Infomation |
YF-2 hydrochloride is a highly selective, BBB-permeable activator of histone acetyltransferases (HATs) with EC50 values of 2.75 microM for CBP, 29.04 microM for PCAF, and 49.31 microM for GCN5. It enhances histone H3 acetylation in the hippocampus and shows no detectable effect on HDACs. The compound has a molecular formula of C20H23Cl2F3N2O3 and a molecular weight of 467.31 g/mol. YF-2 hydrochloride has potential applications in the treatment of cancer and Alzheimer's disease by modulating epigenetic regulation. The compound has not entered clinical trials and has not received regulatory approval for any indication. It is available from research chemical suppliers for non-clinical research purposes only. YF-2 hydrochloride is a valuable research tool for studying HAT-mediated epigenetic regulation and developing new therapies for diseases involving epigenetic dysfunction.
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| Molecular Formula |
C20H22N2O3F3CL.HCL
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| Molecular Weight |
467.309
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| Exact Mass |
466.104
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| CAS # |
1312005-62-1
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| Related CAS # |
YF-2;1311423-89-8
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| PubChem CID |
71528814
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| Appearance |
White to light yellow solid powder
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| LogP |
6.136
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
7
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| Rotatable Bond Count |
8
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| Heavy Atom Count |
30
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| Complexity |
522
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
TZHNKFGAPXMLJS-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C20H22ClF3N2O3.ClH/c1-4-28-16-6-5-7-17(29-11-10-26(2)3)18(16)19(27)25-13-8-9-15(21)14(12-13)20(22,23)24;/h5-9,12H,4,10-11H2,1-3H3,(H,25,27);1H
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| Chemical Name |
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[2-(dimethylamino)ethoxy]-6-ethoxybenzamide;hydrochloride
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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 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)
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| Solubility (In Vitro) |
DMSO : ~100 mg/mL (~213.99 mM)
H2O : ~3.12 mg/mL (~6.68 mM) |
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| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.1399 mL | 10.6995 mL | 21.3991 mL | |
| 5 mM | 0.4280 mL | 2.1399 mL | 4.2798 mL | |
| 10 mM | 0.2140 mL | 1.0700 mL | 2.1399 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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