| Size | Price | Stock | Qty |
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| 25mg |
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| 50mg |
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| 100mg |
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| 250mg |
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| Other Sizes |
| Targets |
S1P3 ( IC50 = 4.6 μM ); CAY10444 (also known as BML-241) was initially developed as a potential S1P3 receptor antagonist through rational drug design. However, subsequent studies have demonstrated that it lacks selectivity for S1P3 receptors and exhibits significant off-target effects [1].
In a β-arrestin recruitment assay, the IC50 of CAY10444 for inhibiting the S1P3 receptor response was determined to be 4.6 μM [1]. |
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| ln Vitro |
BML-241 blocks P2 receptor or α1A-adrenoceptor stimulation-induced increases in intracellular Ca2+ concentration as well as α1A-adrenoceptor-mediated contraction of the rat mesenteric artery. However, it has no effect on S1P3-mediated reduction of Forskolin-induced cyclic AMP accumulation[1].
In HeLa cells expressing S1P3 receptors, CAY10444 at 10 μM inhibited S1P-induced increases in intracellular calcium concentration by 37%. At the same concentration, it inhibited S1P-induced calcium increases in cells expressing S1P1 receptors by only about 7% [1]. In transfected CHO cells, CAY10444 (10 μM) was shown to lack selectivity, as it inhibited calcium increases induced not only by S1P but also by purinergic P2 receptor or α1A-adrenoceptor stimulation [1]. In a β-arrestin recruitment assay using Tango EDG3 cell lines, the S1P3 receptor response was inhibited by CAY10444 with an IC50 of 4.6 μM, with 100 μM achieving approximately 78% inhibition [1]. In multiple other cell systems, including fibroblasts, keratinocytes, cardiomyocytes, and various cancer cell lines, CAY10444 (tested at concentrations ranging from 0.1 to 100 μM) was used to assess S1P3 involvement, with many studies showing no effect or concluding against a role for S1P3 [1]. |
| Enzyme Assay |
β-Arrestin Recruitment Assay: A Tango EDG3 cell line system was used to assess S1P3 receptor activity. Cells were treated with S1P in the presence or absence of varying concentrations of CAY10444. The β-arrestin recruitment response was measured, and the IC50 value for CAY10444 was calculated to be 4.6 μM [1].
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| Cell Assay |
Calcium Mobilization Assay (HeLa cells): HeLa cells expressing S1P3 or S1P1 receptors were used. Cells were loaded with a calcium-sensitive dye, and changes in intracellular calcium concentration ([Ca²⁺]i) were measured after stimulation with S1P. CAY10444 was tested at 10 μM to assess its ability to block S1P-induced calcium responses [1].
Calcium Mobilization Assay (CHO cells): Transfected CHO cells expressing various receptors (including S1P3, P2 receptors, and α1A-adrenoceptors) were used. Cells were stimulated with S1P, UTP, or phenylephrine in the presence or absence of CAY10444 (10 μM), and changes in [Ca²⁺]i were measured to assess the selectivity of the compound [1]. β-Arrestin Recruitment Assay: Tango EDG3 cell lines were used. Cells were incubated with S1P and varying concentrations of CAY10444. The recruitment of β-arrestin to the activated S1P3 receptor was measured to determine antagonist potency [1]. |
| References | |
| Additional Infomation |
4-Thiazolidinic acid, 2-undecyl-,(4r)- is an L-α-amino acid.
|
| Molecular Formula |
C15H29NO2S
|
|---|---|
| Molecular Weight |
287.46
|
| Exact Mass |
287.191
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| Elemental Analysis |
C, 62.67; H, 10.17; N, 4.87; O, 11.13; S, 11.15
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| CAS # |
298186-80-8
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| PubChem CID |
2727678
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| Appearance |
White to off-white solid powder
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| Density |
1.0±0.1 g/cm3
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| Boiling Point |
439.2±40.0 °C at 760 mmHg
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| Flash Point |
219.4±27.3 °C
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| Vapour Pressure |
0.0±2.3 mmHg at 25°C
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| Index of Refraction |
1.495
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| LogP |
5.42
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| Hydrogen Bond Donor Count |
2
|
| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
11
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| Heavy Atom Count |
19
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| Complexity |
248
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| Defined Atom Stereocenter Count |
1
|
| SMILES |
CCCCCCCCCCCC1N[C@@H](CS1)C(=O)O
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| InChi Key |
FNBSOIBCKUUVJJ-LSLKUGRBSA-N
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| InChi Code |
InChI=1S/C15H29NO2S/c1-2-3-4-5-6-7-8-9-10-11-14-16-13(12-19-14)15(17)18/h13-14,16H,2-12H2,1H3,(H,17,18)/t13-,14?/m0/s1
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| Chemical Name |
(4R)-2-undecyl-1,3-thiazolidine-4-carboxylic acid
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| Synonyms |
CAY-10444; BML-241; CAY10444; CAY10,444; 298186-80-8; (4R)-2-undecyl-1,3-thiazolidine-4-carboxylic acid; (4R)-2-Undecyl-4-thiazolidinecarboxylic acid; 2-Undecyl-thiazolidine-4-carboxylic acid; BML241; CAY 10444; BML 241
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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: 14~41.7 mg/mL (48.7~145 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: 2.5 mg/mL (8.70 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 (8.70 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 (8.70 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 | 3.4787 mL | 17.3937 mL | 34.7874 mL | |
| 5 mM | 0.6957 mL | 3.4787 mL | 6.9575 mL | |
| 10 mM | 0.3479 mL | 1.7394 mL | 3.4787 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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