| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg |
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| Targets |
ML-099 targets Ras-related GTPases, a family of small GTP-binding proteins that regulate diverse cellular processes including signal transduction, cytoskeletal dynamics, vesicular trafficking, and cell proliferation. As a pan-activator, ML-099 promotes the activation of Rac1, Cdc42, Ras, Rab7, and Rab-2A. By activating these GTPases, ML-099 stimulates downstream signaling pathways and serves as a tool for studying GTPase function.
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| ln Vitro |
The following bulk EC50 values are reported: 58.88 nM, 100 nM, 141.25 nM, 181.97 nM, 354.81 nM, 25.42 nM, 20.17 nM, and 95.5 nM. ML-099 activates cell division cycle 42 activating mutant, cell division cycle 42 wild type, Ras protein wild type, GTP binding protein (Rab7), Rab-2A, and Rac1 protein activating mutant, Rac1 protein wild type, and Ras protein activating mutant.
In vitro, ML-099 is a small-molecule pan-activator of Ras-related GTPases that activates Rac1, Cdc42, Ras, Rab7, and Rab-2A. It is used in biochemical and cellular assays to probe Rho-family GTPase signaling. The compound's ability to activate multiple GTPases makes it valuable for studying the coordinated regulation of GTPase-mediated cellular processes. However, specific EC50 values have not been detailed in the available literature. |
| ln Vivo |
In vivo, ML-099 is primarily used as a research reagent for studying GTPase signaling pathways. As a pan-activator of Ras-related GTPases, it has potential applications in understanding the role of these proteins in various physiological and pathological processes. However, specific in vivo efficacy data for ML-099 have not been reported in the available literature.
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| Enzyme Assay |
For in vitro biochemical assays, purified recombinant GTPases (Rac1, Cdc42, Ras, Rab7, Rab-2A) are incubated with ML-099 at various concentrations (0.1-100 µM). GTPase activation is measured by assessing GTP binding or by monitoring downstream effector interactions using pull-down assays or fluorescence-based methods. EC50 values can be calculated from dose-response curves.
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| Cell Assay |
For cell-based assays, cells are treated with ML-099 at concentrations ranging from 0.1-100 µM. GTPase activation is assessed by measuring the levels of GTP-bound GTPases using pull-down assays with effector domains. Downstream signaling is assessed by Western blotting for phosphorylated effectors. Cell morphology, migration, and proliferation can also be assessed to evaluate the functional consequences of GTPase activation.
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| Animal Protocol |
For in vivo studies, ML-099 is not typically administered to animals as a therapeutic agent. Its primary use is in biochemical and cell-based assays to investigate GTPase function. If used in animal models, appropriate dosing and routes of administration would need to be determined from pharmacokinetic studies.
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| ADME/Pharmacokinetics |
ML-099 is soluble in DMSO at 10 mg/mL. Storage is recommended at -20°C for long-term stability. The compound is for research use only and is not intended for human or veterinary use. Standard laboratory safety precautions should be followed when handling this compound.
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| Toxicity/Toxicokinetics |
ML-099 is a research compound intended for laboratory use only and is not for human or veterinary use. As a pan-activator of Ras-related GTPases, it may affect multiple signaling pathways and should be handled with appropriate safety precautions. Comprehensive toxicology studies would be required before any clinical development.
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| References | |
| Additional Infomation |
2-(2-phenylethylthio)-3-pyridinecarboxylic acid is a pyridine compound and also an aromatic carboxylic acid.
ML-099 (CID-888706) is a small-molecule pan-activator of Ras-related GTPases that activates Rac1, Cdc42, Ras, Rab7, and Rab-2A. It is used as a research reagent to probe Rho-family GTPase signaling in biochemical and cellular assays. ML-099 is a research tool and is not approved for clinical use. |
| Molecular Formula |
C14H13NO2S
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|---|---|
| Molecular Weight |
259.32352
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| Exact Mass |
259.066
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| CAS # |
496775-95-2
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| PubChem CID |
888706
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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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| Boiling Point |
449.1±40.0 °C at 760 mmHg
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| Flash Point |
225.4±27.3 °C
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| Vapour Pressure |
0.0±1.2 mmHg at 25°C
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| Index of Refraction |
1.646
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| LogP |
3.43
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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 |
5
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| Heavy Atom Count |
18
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| Complexity |
267
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
UZERZZRWECLIKE-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C14H13NO2S/c16-14(17)12-7-4-9-15-13(12)18-10-8-11-5-2-1-3-6-11/h1-7,9H,8,10H2,(H,16,17)
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| Chemical Name |
2-(2-phenylethylsulfanyl)pyridine-3-carboxylic acid
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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 (~385.62 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (9.64 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 (9.64 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 (9.64 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 | 3.8562 mL | 19.2812 mL | 38.5624 mL | |
| 5 mM | 0.7712 mL | 3.8562 mL | 7.7125 mL | |
| 10 mM | 0.3856 mL | 1.9281 mL | 3.8562 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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