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Tetramethylpyrazine nitrone

CAT: 0804-HY-202233Size: 1 EachDry Ice: NoHazardous: No
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Description
Tetramethylpyrazine nitrone is a nitrone derivative of tetramethylpyrazine. Tetramethylpyrazine nitrone is an active ingredient from Ligusticum wallichii Franchat. Tetramethylpyrazine nitrone is a potent scavenger of free radicals with neuroprotective activitys in both rat and monkey models of ischemis stroke. Tetramethylpyrazine nitrone can suppress over-expression of neuroinflammatory marker vimentin[1][2].
CAS Number
1083171-75-8
Product Name Alternative
TBN
UNSPSC
12352005
Target
Drug Derivative
Related Pathways
Others
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology; Neurological Disease
Smiles
CC1=C(C)N=C(C)C(/C=[N+](C(C)(C)C)\[O-])=N1
Molecular Formula
C12H19N3O
Molecular Weight
221.30
References & Citations
[1]Zhou, X., et al., (2023) . Evaluation of therapeutic effects of tetramethylpyrazine nitrone in Alzheimer's disease mouse model and proteomics analysis. Frontiers in pharmacology, 14, 1082602. |[2]Zhang, Z., et al., (2016) . Tetramethylpyrazine nitrone, a multifunctional neuroprotective agent for ischemic stroke therapy. Scientific reports, 6, 37148.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

2-(((1,1-Dimethylethyl)oxidoimino)methyl)-3,5,6-trimethylpyrazine

N-tert-butyl(3,5,6-trimethylpyrazin-2-yl)methanimine N-oxide is a nitrone that is the N-oxido derivative of N-tert-butyl(3,5,6-trimethylpyrazin-2-yl)methanimine. It has a role as a platelet aggregation inhibitor and a neuroprotective agent. It is a member of pyrazines and a nitrone.

CAS Number1083171-75-8
PubChem CID25141224
IUPAC NameN-tert-butyl-1-(3,5,6-trimethylpyrazin-2-yl)methanimine oxide
Molecular FormulaC12H19N3O
Molecular Weight221.30
XLogP1.3
Topological Polar Surface Area54.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity270
SMILES
CC1=C(N=C(C(=N1)C)/C=[N+](/C(C)(C)C)\[O-])C
InChI
InChI=1S/C12H19N3O/c1-8-9(2)14-11(10(3)13-8)7-15(16)12(4,5)6/h7H,1-6H3/b15-7-
InChIKey
BESRYENXPUCIID-CHHVJCJISA-N
Chemical Structure
2D Structure
2D structure of 2-(((1,1-Dimethylethyl)oxidoimino)methyl)-3,5,6-trimethylpyrazine
CAS: 1083171-75-8
CID: 25141224
Formula: C12H19N3O
MW: 221.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight221.30
XLogP31.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass221.152812238
Monoisotopic Mass221.152812238
Topological Polar Surface Area54.5 Ų
Heavy Atom Count16
Formal Charge0
Complexity270
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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