MedKoo Biosciences, Inc.
Tel:   +1-919-636-5577    Fax:   +1-919-980-4831    Email:   sales@medkoo.com
Search
Login Register
Search
MedKoo Cat#: 528319 | Name: GSK2018682 free base
Featured New

Description:

WARNING: This product is for research use only, not for human or veterinary use.

GSK-2018682 is a sphingosine 1 phosphate receptor (S1PR)-1 agonist potentially for the treatment of multiple sclerosis. GSK-2018682 induced acute, transient and non-symptomatic decreases in heart rate and blood pressure.

Chemical Structure

GSK2018682 free base
GSK2018682 free base
CAS#1034688-30-6 (free base)

Theoretical Analysis

MedKoo Cat#: 528319

Name: GSK2018682 free base

CAS#: 1034688-30-6 (free base)

Chemical Formula: C22H21ClN4O4

Exact Mass: 440.1251

Molecular Weight: 440.88

Elemental Analysis: C, 59.93; H, 4.80; Cl, 8.04; N, 12.71; O, 14.52

Price and Availability

Size Price Availability Quantity
50mg USD 450.00 2 Weeks
100mg USD 750.00 2 Weeks
200mg USD 1,250.00 2 Weeks
500mg USD 2,150.00 2 Weeks
1g USD 3,250.00 2 Weeks
Bulk Inquiry
Buy Now
Add to Cart
Related CAS #
1034687-52-9 (HCl) 1034688-30-6 (free base)
Synonym
GSK-2018682; GSK 2018682; GSK2018682;
IUPAC/Chemical Name
4-(4-(5-(5-chloro-6-isopropoxypyridin-3-yl)-1,2,4-oxadiazol-3-yl)-1H-indol-1-yl)butanoic acid
InChi Key
NFIGDBFIDKDNIG-UHFFFAOYSA-N
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)
SMILES Code
O=C(O)CCCN1C=CC2=C1C=CC=C2C3=NOC(C4=CC(Cl)=C(OC(C)C)N=C4)=N3
Appearance
Solid powder
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO
Shelf Life
>2 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info
Sphingosine 1-phosphate receptor (S1PR) modulators possess a unique mechanism of action in the treatment of multiple sclerosis (MS). Subtype 1 of the S1PR is expressed on the surface of lymphocytes and is important in regulating egression from lymph nodes. The S1PR modulators indirectly antagonize the receptor's function leading to sequestration of lymphocytes in the lymph nodes. Fingolimod was the first S1PR modulator to receive regulatory approval for relapsing-remitting MS after 2 phase III trials demonstrated potent efficacy, safety, and tolerability.
Product Data
Product Data
Instruction
View handling instruction
Biological target:
GSK2018682 is an agonist for S1P1 and S1P5 receptor with pEC50s of 7.7 and 7.2, respectively, and has no agonist activity towards human S1P2, S1P3, or S1P4.
In vitro activity:
GSK2018682 is a selective S1PR1 modulator that has some activity at S1PR5, and MT-1303 is known to be a S1PR modulator, but the subtype selectivity is unknown. Reference: Neurotherapeutics. 2017 Oct;14(4):859-873. https://pubmed.ncbi.nlm.nih.gov/28812220/
In vivo activity:
TBD
Solvent mg/mL mM
Solubility
DMF 30.0 68.05
DMSO 66.4 150.52
DMSO:PBS (pH 7.2) (1:3) 0.3 0.57
Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 440.88 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
Formulation protocol:
1. Chaudhry BZ, Cohen JA, Conway DS. Sphingosine 1-Phosphate Receptor Modulators for the Treatment of Multiple Sclerosis. Neurotherapeutics. 2017 Oct;14(4):859-873. doi: 10.1007/s13311-017-0565-4. PMID: 28812220; PMCID: PMC5722770.
In vitro protocol:
1. Chaudhry BZ, Cohen JA, Conway DS. Sphingosine 1-Phosphate Receptor Modulators for the Treatment of Multiple Sclerosis. Neurotherapeutics. 2017 Oct;14(4):859-873. doi: 10.1007/s13311-017-0565-4. PMID: 28812220; PMCID: PMC5722770.
In vivo protocol:
TBD
1: Dash RP, Srinivas NR, Rais R. A review of bioanalytical quantitative methods for selected sphingosine 1-phosphate receptor modulators. Biomed Chromatogr. 2018 Jan;32(1). doi: 10.1002/bmc.4109. Epub 2017 Nov 6. PMID: 28990207. 2: Chaudhry BZ, Cohen JA, Conway DS. Sphingosine 1-Phosphate Receptor Modulators for the Treatment of Multiple Sclerosis. Neurotherapeutics. 2017 Oct;14(4):859-873. doi: 10.1007/s13311-017-0565-4. PMID: 28812220; PMCID: PMC5722770. 3: Subei AM, Cohen JA. Sphingosine 1-phosphate receptor modulators in multiple sclerosis. CNS Drugs. 2015 Jul;29(7):565-75. doi: 10.1007/s40263-015-0261-z. PMID: 26239599; PMCID: PMC4554772. 4: Xu J, Gray F, Henderson A, Hicks K, Yang J, Thompson P, Oliver J. Safety, pharmacokinetics, pharmacodynamics, and bioavailability of GSK2018682, a sphingosine-1-phosphate receptor modulator, in healthy volunteers. Clin Pharmacol Drug Dev. 2014 May;3(3):170-8. doi: 10.1002/cpdd.98. Epub 2014 Feb 10. PMID: 27128606.