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3-Ethoxy-5,6-dibromosalicylaldehyde

CAT: 0013-GTR19274960-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19274960-01Size:50 mg
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Description
3-ethoxy-5,6-dibromosalicylaldehyde is a potent, non-competitive, selective IRE1 (including IRE1α) inhibitor with IC50 values of approximately 0.12 μM for hIRE1α-cyto and 6 μM for yeast Ire1. It suppresses XBP-1 splicing and induces apoptosis. This compound upregulates TXNIP mRNA expression levels while downregulating TXN expression. Furthermore, 3-ethoxy-5,6-dibromosalicylaldehyde exhibits anticancer activity against pancreatic cancer and significantly inhibits the replication of the chikungunya virus.
CAS Number
20041-64-9
Smiles
O=CC=1C (Br) =C (Br) C=C (OCC) C1O
Molecular Formula
C9H8Br2O3
Molecular Weight
323.97
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2,3-Dibromo-5-ethoxy-6-hydroxybenzaldehyde
CAS Number20041-64-9
PubChem CID790680
IUPAC Name2,3-dibromo-5-ethoxy-6-hydroxybenzaldehyde
Molecular FormulaC9H8Br2O3
Molecular Weight323.97
XLogP3.3
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count14
Formal Charge0
Complexity200
SMILES
CCOC1=CC(=C(C(=C1O)C=O)Br)Br
InChI
InChI=1S/C9H8Br2O3/c1-2-14-7-3-6(10)8(11)5(4-12)9(7)13/h3-4,13H,2H2,1H3
InChIKey
MZAISYPWQNBWED-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,3-Dibromo-5-ethoxy-6-hydroxybenzaldehyde
CAS: 20041-64-9
CID: 790680
Formula: C9H8Br2O3
MW: 323.97
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight323.97
XLogP33.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass323.88197
Monoisotopic Mass321.88402
Topological Polar Surface Area46.5 Ų
Heavy Atom Count14
Formal Charge0
Complexity200
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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