CYM-50308

Alias: CYM50308; CYM 50308; CYM-50308; ML248; ML-248; ML 248
Cat No.:V18990 Purity: ≥98%
CYM50308 (ML248) is a potent, selective and high-affinity sphingosine-1-phosphate receptor 4 (S1P4-R) agonist with EC50 of 56 nM.
CYM-50308 Chemical Structure CAS No.: 1345858-76-5
Product category: LPL Receptor
This product is for research use only, not for human use. We do not sell to patients.
Size Price Stock Qty
5mg
10mg
25mg
50mg
100mg
Other Sizes
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Product Description
CYM50308 (ML248) is a potent, selective and high-affinity sphingosine-1-phosphate receptor 4 (S1P4-R) agonist with EC50 of 56 nM. CYM50308 is 37-fold more selective for S1P4-R than S1P5-R (EC50 of 2100 nM). CYM50308 is inactive against S1P1-R, S1P2-R and S1P3-R at concentrations up to 25 μM.
Biological Activity I Assay Protocols (From Reference)
Targets
S1P4-R ( EC50 = 56 nM ); S1P5-R ( EC50 = 56 nM )
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].
References

[1]. Discovery, synthesis and SAR analysis of novel selective small molecule S1P4-R agonists based on a (2Z,5Z)-5-((pyrrol-3-yl)methylene)-3-alkyl-2-(alkylimino)thiazolidin-4-one chemotype. Bioorg Med Chem Lett. 2011 Nov 15;21(22):6739-45.

These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C20H21F2N3O2S
Molecular Weight
405.4638
Exact Mass
405.13
Elemental Analysis
C, 59.25; H, 5.22; F, 9.37; N, 10.36; O, 7.89; S, 7.91
CAS #
1345858-76-5
Appearance
Solid powder
SMILES
CC1=CC(=C(N1C2=C(C=C(C=C2)F)F)C)/C=C\3/C(=O)N(C(=NCCOC)S3)C
InChi Key
BKQZKTRCUAWRHT-ONBPWHQPSA-N
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?
Chemical Name
(5Z)-5-[[1-(2,4-difluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2-(2-methoxyethylimino)-3-methyl-1,3-thiazolidin-4-one
Synonyms
CYM50308; CYM 50308; CYM-50308; ML248; ML-248; ML 248
HS Tariff Code
2934.99.9001
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)
Solubility Data
Solubility (In Vitro)
DMSO: 10~39 mg/mL (24.7~96.2 mM)
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.

Calculator

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What is the mass of compound required to make a 10 mM stock solution in 5 ml of DMSO given that the molecular weight of the compound is 350.26 g/mol?
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What volume of a given 10 mM stock solution is required to make 25 ml of a 25 μM solution?
Using the equation C1V1 = C2V2, where C1=10 mM, C2=25 μM, V2=25 ml and V1 is the unknown:
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g/mol

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Note: Chemical formula is case sensitive: C12H18N3O4  c12h18n3o4
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Definitions of molecular mass, molecular weight, molar mass and molar weight:
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In vivo Formulation Calculator (Clear solution)
Step 1: Enter information below (Recommended: An additional animal to make allowance for loss during the experiment)
Step 2: Enter in vivo formulation (This is only a calculator, not the exact formulation for a specific product. Please contact us first if there is no in vivo formulation in the solubility section.)
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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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