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Chemical structure of Vanin-1-IN-1

GC38054

Vanin-1-IN-1

Also known as 8-oxa-2-azaspiro[4.5]decan-2-yl-[2-(pyrazin-2-ylmethylamino)pyrimidin-5-yl]methanone

Vanin-1-IN-1 is an inhibitor of vanin-1 enzyme which is a cell surface associated, giycosyiphosphatidyS inositol (GPi) anchored protein and plays an important role in metabolism and inflammation

ChemicalCAS2173134-00-2MW354.41FormulaC18H22N6O2
CAS number
2173134-00-2
Molecular weight
354.41
Formula
C18H22N6O2
Solubility
DMSO： 125 mg/mL (352·70 mM)
InChIKey
VGRLXWFIXGZRMS-UHFFFAOYSA-N
Catalogue number
GC38054
Brand
GLPBIO
Computed properties PubChem CID 134177597 · XLogP 0 · TPSA 93.1 Ų · H-bond donors 1
XLogP
0
TPSA
93.1 Ų
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
26

SMILES C1CN(CC12CCOCC2)C(=O)C3=CN=C(N=C3)NCC4=NC=CN=C4

Computed descriptors from PubChem (CID 134177597), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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