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3-methyl toxoflavin

CAT: 1410-M20200-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M20200-01Size:5 mg
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Description
3-methyltoxoflavin is an effective inhibitor of protein disulfide isomerase (PDI) and its IC50 value is 170 nM.
CAS Number
32502-62-8
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
207.19
Molecular Formula
C8H9N5O2
Notes
Research use only, not for human use.
Receptor
Protein disulfide isomerases

Chemical Information

1,3,6-Trimethylpyrimido[5,4-e][1,2,4]triazine-5,7-dione

1,3,6-trimethylpyrimido[5,4-e][1,2,4]triazine-5,7-dione is a pyrimidotriazine.

CAS Number32502-62-8
PubChem CID460747
IUPAC Name1,3,6-trimethylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
Molecular FormulaC8H9N5O2
Molecular Weight207.19
XLogP-0.7
Topological Polar Surface Area77.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count15
Formal Charge0
Complexity448
SMILES
CC1=NN(C2=NC(=O)N(C(=O)C2=N1)C)C
InChI
InChI=1S/C8H9N5O2/c1-4-9-5-6(13(3)11-4)10-8(15)12(2)7(5)14/h1-3H3
InChIKey
CPXHNWKHOFNPDO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,3,6-Trimethylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
CAS: 32502-62-8
CID: 460747
Formula: C8H9N5O2
MW: 207.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight207.19
XLogP3-0.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass207.07562455
Monoisotopic Mass207.07562455
Topological Polar Surface Area77.7 Ų
Heavy Atom Count15
Formal Charge0
Complexity448
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
MBS3610186-013-methyl toxoflavin
T67738-013-pyridine toxoflavin
BA1010-5Toxoflavin
HY-100760S-01Toxoflavin-13C4
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A12174-50Toxoflavin 50mg
A12174-10Toxoflavin 10mg
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