VT-ME6

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

MedKoo CAT#: 407177

CAS#: 1353880-00-8

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.


Chemical Structure

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VT-ME6
CAS# 1353880-00-8

Theoretical Analysis

MedKoo Cat#: 407177
Name: VT-ME6
CAS#: 1353880-00-8
Chemical Formula: C25H44IN
Exact Mass:
Molecular Weight: 485.54
Elemental Analysis: C, 61.84; H, 9.13; I, 26.14; N, 2.88

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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-]

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, not in water

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

Preparing Stock Solutions

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.

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

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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.