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MedKoo Cat#: 565613 | Name: GSK2018682 HCl

Description:

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

GSK2018682 is a novel sphingosine-1-phosphate receptor 1 (s1p1) and 5 (s1p5) agonist.

Chemical Structure

GSK2018682 HCl
GSK2018682 HCl
CAS#1034687-52-9 (HCl)

Theoretical Analysis

MedKoo Cat#: 565613

Name: GSK2018682 HCl

CAS#: 1034687-52-9 (HCl)

Chemical Formula: C22H22Cl2N4O4

Exact Mass: 440.1251

Molecular Weight: 477.34

Elemental Analysis: C, 55.36; H, 4.65; Cl, 14.85; N, 11.74; O, 13.41

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
1034687-52-9 (HCl) 1034688-30-6 (free base)
Synonym
GSK2018682; GSK 2018682; GSK-2018682; GSK2018682 HCl; GSK2018682 hydrochloride
IUPAC/Chemical Name
4-[5-[5-Chloro-6-(1-methylethoxy)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-1H-indole-1-butanoic acid hydrochloride
InChi Key
VMHBYBCXBMAQPA-UHFFFAOYSA-N
InChi Code
InChI=1S/C22H21ClN4O4.ClH/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);1H
SMILES Code
OC(CCCN1C=CC2=C1C=CC=C2C3=NOC(C4=CC(Cl)=C(OC(C)C)N=C4)=N3)=O.[H]Cl
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
>3 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.

Preparing Stock Solutions

The following data is based on the product molecular weight 477.34 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
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.

View History

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