MedKoo Cat#: 407177 | Name: VT-ME6

Description:

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

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

VT-ME6
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

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.
Bulk Inquiry
Related CAS #
No Data
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
More Info

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
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.