WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 407177
Description: VT-ME6 is a potent and selective sphingosine kinase 2 inhibitor. VT-ME6, contained a quaternary ammonium group as a warhead and established that a positively charged moiety is necessary for engaging key amino acid residues in the enzyme binding pocket.13,14 This compound is moderately potent (Ki = 8 lM) and displays three-fold selectivity for SphK2 over SphK1. Sphingosine-1-phosphate (S1P) is a ubiquitous, endogenous small molecule that is synthesized by two isoforms of sphingosine kinase (SphK1 and 2). Intervention of the S1P signaling pathway has attracted significant attention because alteration of S1P levels is linked to several disease states including cancer, fibrosis, and sickle cell disease.
MedKoo Cat#: 407177
Chemical Formula: C25H44IN
Molecular Weight: 485.54
Elemental Analysis: C, 61.84; H, 9.13; I, 26.14; N, 2.88
VT-ME6 is not in stock, but may be available through custom synthesis. For cost-effective reason, minimum 1 gram order is requested. The product will be characterized by NMR, HPLC and MS analysis. Purity (HPLC) is usually >98%. CoA, QC data, MSDS will be provided when product is successfully made. The estimated lead time is 2-3 months. Please send email to firstname.lastname@example.org to inquire quote.
Synonym: VT-ME6, VT-ME-6, VT-ME 6
IUPAC/Chemical Name: Dimethyl-[4-(4-octyl-phenyl)-cyclohexyl]-propyl-ammonium iodide
InChi Key: YGGCLYHAJDEFPH-UHFFFAOYSA-M
InChi Code: InChI=1S/C25H44N.HI/c1-5-7-8-9-10-11-12-22-13-15-23(16-14-22)24-17-19-25(20-18-24)26(3,4)21-6-2;/h13-16,24-25H,5-12,17-21H2,1-4H3;1H/q+1;/p-1
SMILES Code: CCC[N+](C)(C)C1CCC(C2=CC=C(CCCCCCCC)C=C2)CC1.[I-]
The following data is based on the product molecular weight 485.54 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.
|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: Congdon MD, Childress ES, Patwardhan NN, Gumkowski J, Morris EA, Kharel Y, Lynch KR, Santos WL. Structure-activity relationship studies of the lipophilic tail region of sphingosine kinase 2 inhibitors. Bioorg Med Chem Lett. 2015 Nov 1;25(21):4956-60. doi: 10.1016/j.bmcl.2015.03.041. Epub 2015 Mar 23. PubMed PMID: 25862200; PubMed Central PMCID: PMC4580500.