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Purity: ≥98%
GSK2018682 is a novel and potent agonist for S1P1 and S1P5 receptor (sphingosine 1 phosphate receptor) with pEC50s of 7.7 and 7.2, respectively, and it has no agonist activity towards human S1P2, S1P3, or S1P4. GSK2018682 is employed in multiple sclerosis research. Acute, brief, and asymptomatic drops in blood pressure and heart rate were caused by GSK2018682. Absolute lymphocyte count (ALC) and all tested subsets showed dose-dependent decreases to varying degrees, with a nadir of more than 70% reduction from baseline. Major pharmacokinetic parameters did not differ between the fed and fasted subjects or the three GSK2018682 formulations. On the other hand, after dosage in the fed state, the degree of bradycardia decreased. Furthermore, exercise produced a strong rise in heart rate up to 6 mg in subjects with bradycardia after RD of GSK2018682, indicating potential physiological ways to lessen the severity of S1P-mediated bradycardia and the ensuing AV-block.
| Targets |
S1P1 receptor ( pEC50 = 7.7 ); S1P5 receptor ( pEC50 = 7.2 )
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|---|---|
| ln Vitro |
GSK2018682 is an agonist at the S1P1 and S1P5 receptors with pEC50s of 7.7 and 7.2, respectively, and has no agonist activity against human S1P2, S1P3 or S1P4 [1].
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| References |
| Molecular Formula |
C22H21CLN4O4
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|---|---|
| Molecular Weight |
440.879544019699
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| Exact Mass |
440.13
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| Elemental Analysis |
C, 59.93; H, 4.80; Cl, 8.04; N, 12.71; O, 14.52
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| CAS # |
1034688-30-6
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| Related CAS # |
1034687-52-9 (HCl); 1034688-30-6
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| Appearance |
Solid powder
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| SMILES |
CC(C)OC1=C(C=C(C=N1)C2=NC(=NO2)C3=C4C=CN(C4=CC=C3)CCCC(=O)O)Cl
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| InChi Key |
NFIGDBFIDKDNIG-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C22H21ClN4O4/c1-13(2)30-22-17(23)11-14(12-24-22)21-25-20(26-31-21)16-5-3-6-18-15(16)8-10-27(18)9-4-7-19(28)29/h3,5-6,8,10-13H,4,7,9H2,1-2H3,(H,28,29)
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| Chemical Name |
4-[4-[5-(5-chloro-6-propan-2-yloxypyridin-3-yl)-1,2,4-oxadiazol-3-yl]indol-1-yl]butanoic acid
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| Synonyms |
GSK-2018682; GSK 2018682; GSK2018682
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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: ≥ 125 mg/mL (~283.5 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (4.72 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 20.8 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: 2.08 mg/mL (4.72 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 ultrasonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 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: ≥ 2.08 mg/mL (4.72 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 | 2.2682 mL | 11.3410 mL | 22.6819 mL | |
| 5 mM | 0.4536 mL | 2.2682 mL | 4.5364 mL | |
| 10 mM | 0.2268 mL | 1.1341 mL | 2.2682 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.
| NCT Number | Recruitment | interventions | Conditions | Sponsor/Collaborators | Start Date | Phases |
| NCT01387217 | Completed | Drug: GSK2018682 Drug: Placebo |
Multiple Sclerosis | GlaxoSmithKline | May 21, 2010 | Phase 1 |
| NCT01431937 | Completed | Drug: GSK2018682 Drug: Placebo |
Multiple Sclerosis, Relapsing -Remitting |
GlaxoSmithKline | October 10, 2010 | Phase 1 |
| NCT01466322 | Completed | Drug: GSK2018682 CD2 Capsule; GSK2018682 CD3 non-micronised Tablet; GSK2018682 CD3 micronised Tablet; GSK2018682 CD3 non-micronised Tablet in fed state |
Multiple Sclerosis, Relapsing -Remitting |
GlaxoSmithKline | December 22, 2010 | Phase 1 |
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