| 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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| Other Sizes |
| Targets |
S1P4-R ( EC50 = 56 nM ); S1P5-R ( EC50 = 56 nM )
CYM-50308 targets the S1P4 receptor, a G protein-coupled receptor involved in immune cell trafficking, lymphocyte egress, and inflammatory responses. It acts as a potent agonist, activating S1P4 signaling pathways. This receptor is a member of the sphingosine-1-phosphate receptor family, which plays critical roles in the immune system. |
|---|---|
| ln Vitro |
CYM50308 (Compound 24f), the lead molecule that was revealed, exhibits remarkable selectivity over the other S1P-Rs subtypes while demonstrating low nanomolar S1P4-R agonist activity. It's noteworthy that CYM50308 offers a useful pharmacological tool for investigating the consequences of the S1P4-R signaling cascade and clarifying the molecular underpinnings of the receptor function in culture[1]. |
| ln Vivo |
In vivo activity data for CYM-50308 is limited. As a potent and selective S1P4 agonist, it is expected to modulate immune cell functions and inflammatory responses. The compound is used as a research tool to study the role of S1P4 in various disease models, including autoimmune and inflammatory conditions.
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| Enzyme Assay |
CYM-50308 is evaluated in cell-free receptor binding assays to determine its affinity and selectivity for S1P receptors. Radioligand binding displacement assays are performed using membrane preparations expressing S1P receptor subtypes. Competition binding experiments are conducted with increasing concentrations of CYM-50308 and a fixed concentration of a labeled reference ligand.
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| Cell Assay |
CYM-50308 is assessed in cell-based functional assays to measure its agonist activity at S1P4. Cells expressing S1P4 are treated with CYM-50308, and receptor activation is measured by assessing downstream signaling pathways, such as GTPγS binding or calcium mobilization. EC50 values are determined to quantify the potency of receptor activation.
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| Animal Protocol |
CYM-50308 is administered in animal models to evaluate its effects on S1P4-mediated immune functions. It has been studied in models of inflammation and autoimmune diseases. The compound is formulated for in vivo administration, typically using DMSO or other suitable vehicles. However, specific animal study protocols are not extensively documented.
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| ADME/Pharmacokinetics |
CYM-50308 has a molecular weight of 405.46 and a molecular formula of C20H21F2N3O2S. It is soluble in DMSO at 39 mg/mL and is insoluble in water and ethanol. In vivo, it can be formulated as a homogeneous suspension in CMC-Na at ≥5 mg/mL or as a clear solution in 5% DMSO, 40% PEG300, 5% Tween 80, and 50% ddH2O.
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| Toxicity/Toxicokinetics |
No detailed toxicity data is available for CYM-50308. The compound is for research use only and is not intended for human or veterinary use. Its safety profile has not been extensively characterized in the available literature.
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| References | |
| Additional Infomation |
CYM-50308 is a potent and selective S1P4 receptor agonist. It is also known as ML248. The compound has a CAS number of 1345858-76-5. It is used as a research tool to study the role of S1P4 in immune cell trafficking, lymphocyte egress, and inflammatory responses. It is not approved for clinical use.
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| Molecular Formula |
C20H21F2N3O2S
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|---|---|
| Molecular Weight |
405.4638
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| Exact Mass |
405.132
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| Elemental Analysis |
C, 59.25; H, 5.22; F, 9.37; N, 10.36; O, 7.89; S, 7.91
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| CAS # |
1345858-76-5
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| PubChem CID |
49835928
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| Appearance |
Light yellow to yellow solid powder
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| Density |
1.3±0.1 g/cm3
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| Boiling Point |
504.0±60.0 °C at 760 mmHg
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| Flash Point |
258.6±32.9 °C
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| Vapour Pressure |
0.0±1.3 mmHg at 25°C
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| Index of Refraction |
1.594
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| LogP |
3.29
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
28
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| Complexity |
645
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| Defined Atom Stereocenter Count |
0
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| SMILES |
S1/C(=N/C([H])([H])C([H])([H])OC([H])([H])[H])/N(C([H])([H])[H])C(/C/1=C(\[H])/C1C([H])=C(C([H])([H])[H])N(C2C([H])=C([H])C(=C([H])C=2F)F)C=1C([H])([H])[H])=O
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| InChi Key |
BKQZKTRCUAWRHT-ONBPWHQPSA-N
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| InChi Code |
InChI=1S/C20H21F2N3O2S/c1-12-9-14(13(2)25(12)17-6-5-15(21)11-16(17)22)10-18-19(26)24(3)20(28-18)23-7-8-27-4/h5-6,9-11H,7-8H2,1-4H3/b18-10-,23-20?
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| Chemical Name |
(5Z)-5-[[1-(2,4-difluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2-(2-methoxyethylimino)-3-methyl-1,3-thiazolidin-4-one
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| Synonyms |
CYM50308; CYM 50308; CYM-50308; ML248; ML-248; ML 248
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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: 10~39 mg/mL (24.7~96.2 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: 3 mg/mL (7.40 mM) in 10% DMSO + 90% (20% SBE-β-CD in 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 30.0 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. Solubility in Formulation 2: ≥ 3 mg/mL (7.40 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 30.0 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 | 2.4663 mL | 12.3317 mL | 24.6633 mL | |
| 5 mM | 0.4933 mL | 2.4663 mL | 4.9327 mL | |
| 10 mM | 0.2466 mL | 1.2332 mL | 2.4663 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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