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(E/Z) -IT-603

CAT: 0931-T8799-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T8799-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
292168-90-2
Target
NF-κB
Related Pathways
NF-κB
Purity
0.9935
Bioactivity
(E/Z) -IT-603 is a cell-permeable c-Rel inhibitor (IC50: 3μM) that directly and reversibly binds to c-Rel, altering its conformation and inhibiting its DNA binding and transcriptional activity.
Smiles
COc1cc(Br)cc(\C=C2\NC(=S)NC2=O)c1O
Molecular Formula
C11H9BrN2O3S
Molecular Weight
329.17
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

5-(5-Bromo-2-hydroxy-3-methoxybenzylidene)-2-thioxoimidazolidin-4-one
CAS Number292168-90-2
PubChem CID840180
IUPAC Name(5E)-5-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
Molecular FormulaC11H9BrN2O3S
Molecular Weight329.17
XLogP2
Topological Polar Surface Area103
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count18
Formal Charge0
Complexity402
SMILES
COC1=CC(=CC(=C1O)/C=C/2\C(=O)NC(=S)N2)Br
InChI
InChI=1S/C11H9BrN2O3S/c1-17-8-4-6(12)2-5(9(8)15)3-7-10(16)14-11(18)13-7/h2-4,15H,1H3,(H2,13,14,16,18)/b7-3+
InChIKey
PYLYAEDUIKQBOT-XVNBXDOJSA-N
Chemical Structure
2D Structure
2D structure of 5-(5-Bromo-2-hydroxy-3-methoxybenzylidene)-2-thioxoimidazolidin-4-one
CAS: 292168-90-2
CID: 840180
Formula: C11H9BrN2O3S
MW: 329.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight329.17
XLogP32
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass327.95173
Monoisotopic Mass327.95173
Topological Polar Surface Area103 Ų
Heavy Atom Count18
Formal Charge0
Complexity402
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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Alternative Products

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