| Size | Price | Stock | Qty |
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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 | |||
| 500mg | |||
| Other Sizes |
| Targets |
LARG ( Kd = 76 nM )
Y16 targets LARG (leukemia-associated RhoGEF) and other G-protein-coupled RhoGEFs. It binds to the interface between the Rho GEF and Rho, preventing the exchange of GDP for GTP on RhoA, thereby inhibiting RhoA activation and downstream signaling such as actin cytoskeleton reorganization. |
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| ln Vitro |
Y16 (10-30 μM; 24 hours; NIH 3T3 cells) is specific for RhoA and can inhibit the formation of RhoA-GTP induced by serum in a dose-dependent manner[1].
Y16 (10-30 μM; 24 hours; NIH 3T3 cells) effectively suppresses the production of phospho-MLC and phospho-FAK, which are downstream of RhoA, when induced by serum or SDF-1α[1]. Y16 blocks the LARG-Rho interaction with a Kd of 80 nM. It inhibits RhoA activation in cells, reducing stress fiber formation and cell migration. The compound does not affect other DBL family members, showing specificity for G-protein-coupled RhoGEFs. |
| ln Vivo |
Specific in vivo activity data are limited. Y16 is expected to modulate Rho-mediated processes in vivo, such as cell migration and vascular permeability. Further studies are needed to evaluate its pharmacokinetics and efficacy.
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| Enzyme Assay |
The in vitro binding assay uses fluorescence polarization or surface plasmon resonance to measure disruption of LARG-Rho interaction by Y16. The Kd is determined from binding isotherms.
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| Cell Assay |
Cell Line: NIH 3T3 cells
Concentration: 10 μM, 30 μM Incubation Time: 24 hours Result: Inhibited RhoA-GTP formation induced by serum dose dependently and was specific for RhoA. The in vitro cellular assay involves treating cells with compound and measuring RhoA-GTP levels by pull-down assay. Cell migration is assessed by wound healing, and cytoskeletal changes are visualized by phalloidin staining. |
| Animal Protocol |
In vivo studies would use mouse models of cancer or cardiovascular disease. Animals are treated with Y16, and effects on tumor metastasis or blood pressure are evaluated.
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| ADME/Pharmacokinetics |
Y16 has a molecular weight of 369.42 g/mol and a molecular formula of C20H19N3O2S. It is soluble in DMSO and stored at -20°C. Pharmacokinetic data are not publicly available.
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| Toxicity/Toxicokinetics |
Specific toxicology data are not available. The compound is for research use only.
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| References | |
| Additional Infomation |
Y16 is a Rho GEF inhibitor targeting LARG-Rho interaction. It is used in cell signaling research and is not yet in clinical trials.
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| Molecular Formula |
C24H20N2O3
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|---|---|
| Molecular Weight |
384.435
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| Exact Mass |
384.147
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| Elemental Analysis |
C, 74.98; H, 5.24; N, 7.29; O, 12.49
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| CAS # |
429653-73-6
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| Related CAS # |
429653-73-6
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| PubChem CID |
989521
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| Appearance |
White to off-white solid powder
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| Density |
1.3±0.1 g/cm3
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| Index of Refraction |
1.665
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| LogP |
5.26
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
29
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| Complexity |
626
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O=C(N1)/C(C(N1C2=CC=CC=C2)=O)=C\C3=CC(OCC4=CC(C)=CC=C4)=CC=C3
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| InChi Key |
ITMLWGWTDWJSRZ-PXLXIMEGSA-N
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| InChi Code |
InChI=1S/C24H20N2O3/c1-17-7-5-9-19(13-17)16-29-21-12-6-8-18(14-21)15-22-23(27)25-26(24(22)28)20-10-3-2-4-11-20/h2-15H,16H2,1H3,(H,25,27)/b22-15+
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| Chemical Name |
(4E)-4-[[3-[(3-methylphenyl)methoxy]phenyl]methylidene]-1-phenylpyrazolidine-3,5-dione
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| Synonyms |
RhoA-IN-Y16; Y16; Y-16; Y 16
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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: 25~39 mg/mL (65.0~101.4 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: 2.5 mg/mL (6.50 mM) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication.
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 (6.50 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 25.0 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 | 2.6012 mL | 13.0059 mL | 26.0119 mL | |
| 5 mM | 0.5202 mL | 2.6012 mL | 5.2024 mL | |
| 10 mM | 0.2601 mL | 1.3006 mL | 2.6012 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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