| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| Other Sizes |
| Targets |
YAP-TEAD-IN-2 directly targets the YAP-TEAD protein-protein interaction interface, which is a central node in the Hippo signaling pathway. By inhibiting this interaction with an IC50 of 2.7 nM, it prevents TEAD-mediated transcription of genes involved in cell proliferation, survival, and organ size control.
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|---|---|
| ln Vitro |
YAP-TEAD-IN-2 exhibits potent inhibition of the YAP-TEAD PPI with a sub-nanomolar IC50 (2.7 nM) as determined in biochemical assays. It is anticipated to suppress the expression of YAP/TEAD target genes such as CTGF and CYR61 in cancer cells with hyperactive Hippo signaling.
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| ln Vivo |
A detailed in vivo efficacy data for YAP-TEAD-IN-2 has not been reported in the literature. Based on its potent in vitro PPI inhibition, it is expected to show anti-tumor activity in animal models of cancers driven by YAP/TAZ hyperactivation, such as mesothelioma and certain types of NSCLC.
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| Enzyme Assay |
A common YAP-TEAD PPI assay uses time-resolved fluorescence resonance energy transfer (TR-FRET) technology. Biotin-labeled TEAD protein and His-tagged YAP protein are incubated with increasing concentrations of YAP-TEAD-IN-2. After adding streptavidin-labeled donor and anti-His-labeled acceptor beads, the TR-FRET signal is measured to calculate the 2.7 nM IC50 value.
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| Cell Assay |
For cellular assays, the NCI-H226 mesothelioma cell line (harboring NF2 mutation) or other YAP-addicted cancer cells are typically used. Cells are treated with YAP-TEAD-IN-2 at various concentrations for 24-48 hours. Target engagement is assessed by measuring mRNA expression of YAP/TEAD target genes (CTGF, CYR61) via qRT-PCR, and cell viability is assessed using CellTiter-Glo after 72-96 hours of treatment.
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| Animal Protocol |
No animal model data has been reported for YAP-TEAD-IN-2.
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| ADME/Pharmacokinetics |
Detailed pharmacokinetic parameters (oral bioavailability, half-life, Cmax, AUC) for YAP-TEAD-IN-2 have not been reported.
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| Toxicity/Toxicokinetics |
No specific toxicology data has been reported for YAP-TEAD-IN-2, as it is currently a preclinical research tool compound for studying the Hippo signaling pathway.
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| References | |
| Additional Infomation |
YAP-TEAD-IN-2 is a potent inhibitor of the YAP-TEAD protein-protein interaction (IC50 = 2.7 nM). It has CAS number 2714432-83-2, molecular formula C25H24ClFN2O4, and molecular weight 470.92. This compound is a valuable chemical probe for dissecting Hippo signaling mechanisms in cancer biology and other diseases where this pathway is dysregulated.
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| Molecular Formula |
C25H24CLFN2O4
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|---|---|
| Molecular Weight |
470.920469284058
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| Exact Mass |
470.14
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| CAS # |
2714432-83-2
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| Related CAS # |
(R,S)-YAP-TEAD-IN-2
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| PubChem CID |
157852210
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| Appearance |
White to off-white solid powder
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| LogP |
3.4
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
8
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| Heavy Atom Count |
33
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| Complexity |
666
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| Defined Atom Stereocenter Count |
1
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| SMILES |
COCCOC1=C(C(=C(C=C1)C(=O)N)C2=C(C=CC3=C2C[C@@](O3)(CN)C4=CC=CC=C4)Cl)F
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| InChi Key |
DMOHFURXRRTVGP-RUZDIDTESA-N
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| InChi Code |
InChI=1S/C25H24ClFN2O4/c1-31-11-12-32-20-9-7-16(24(29)30)22(23(20)27)21-17-13-25(14-28,15-5-3-2-4-6-15)33-19(17)10-8-18(21)26/h2-10H,11-14,28H2,1H3,(H2,29,30)/t25-/m1/s1
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| Chemical Name |
2-[(2S)-2-(aminomethyl)-5-chloro-2-phenyl-3H-1-benzofuran-4-yl]-3-fluoro-4-(2-methoxyethoxy)benzamide
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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 (~212.4 mM; with ultrasonication)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: 2.5 mg/mL (5.31 mM) 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; with ultrasonication.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of DMSO stock solution (25.0 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: 2.5 mg/mL (5.31 mM) 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; with ultrasonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of DMSO stock solution (25.0 mg/mL) to 900 μL of 20% SBE-β-CD saline and mix well. 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. Solubility in Formulation 3: 2.5 mg/mL (5.31 mM) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), Clear solution; with ultrasonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of DMSO stock solution (25.0 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 | 2.1235 mL | 10.6175 mL | 21.2350 mL | |
| 5 mM | 0.4247 mL | 2.1235 mL | 4.2470 mL | |
| 10 mM | 0.2124 mL | 1.0618 mL | 2.1235 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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