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VT-ME6

CAT: 0013-GTR19208497-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19208497-01Size:25 mg
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Description
VT-ME6 is a moderately potent and selective sphingosine kinase 2 (SphK2) inhibitor, utilizing a quaternary ammonium warhead for binding. Its role in modulating sphingosine-1-phosphate (S1P) levels makes it a valuable research tool for studying related pathways in cancer, fibrosis, and sickle cell disease models in vitro and in vivo.
CAS Number
1353880-00-8
Smiles
[I-].CCCCCCCCc1ccc (cc1) [C@H]1CC[C@@H] (CC1) [N+] (C) (C) CCC
Molecular Formula
C25H44IN
Molecular Weight
485.54
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

VT-ME6, VT-ME-6, VT-ME 6
CAS Number1353880-00-8
PubChem CID56840034
IUPAC Namedimethyl-[4-(4-octylphenyl)cyclohexyl]-propylazanium iodide
Molecular FormulaC25H44IN
Molecular Weight485.5
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count11
Heavy Atom Count27
Formal Charge0
Complexity345
SMILES
CCCCCCCCC1=CC=C(C=C1)C2CCC(CC2)[N+](C)(C)CCC.[I-]
InChI
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
InChIKey
YGGCLYHAJDEFPH-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of VT-ME6, VT-ME-6, VT-ME 6
CAS: 1353880-00-8
CID: 56840034
Formula: C25H44IN
MW: 485.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight485.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count11
Exact Mass485.25185
Monoisotopic Mass485.25185
Topological Polar Surface Area0 Ų
Heavy Atom Count27
Formal Charge0
Complexity345
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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