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2,4,5-Trimethoxybenzoic acid

CAT: 0931-T60256-01Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0931-T60256-01Size:1 mL - 10 mM (in DMSO)
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
490-64-2
Target
TLR, JAK, STAT, NF-κB, IL Receptor
Related Pathways
Chromatin/Epigenetic, NF-κB, Immunology/Inflammation, Tyrosine Kinase/Adaptors, Angiogenesis, JAK/STAT signaling, Stem Cells
Purity
0.9997
Bioactivity
2,4,5-Trimethoxybenzoic acid (Asaronic acid) is a natural product that inhibits M1 macrophage phenotype-induced inflammatory responses and suppresses TLR4/IL-6-mediated activation of NF-κB and JAK-STAT signaling pathways.
Smiles
O=C(O)C1=CC(OC)=C(OC)C=C1OC
Molecular Formula
C10H12O5
Molecular Weight
212.2
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2,4,5-Trimethoxybenzoic acid

2,4,5-Trimethoxybenzoic acid is a methoxybenzoic acid.

CAS Number490-64-2
PubChem CID10276
IUPAC Name2,4,5-trimethoxybenzoic acid
Molecular FormulaC10H12O5
Molecular Weight212.20
XLogP1.4
Topological Polar Surface Area65
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count15
Formal Charge0
Complexity218
SMILES
COC1=CC(=C(C=C1C(=O)O)OC)OC
InChI
InChI=1S/C10H12O5/c1-13-7-5-9(15-3)8(14-2)4-6(7)10(11)12/h4-5H,1-3H3,(H,11,12)
InChIKey
KVZUCOGWKYOPID-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,4,5-Trimethoxybenzoic acid
CAS: 490-64-2
CID: 10276
Formula: C10H12O5
MW: 212.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight212.20
XLogP31.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass212.06847348
Monoisotopic Mass212.06847348
Topological Polar Surface Area65 Ų
Heavy Atom Count15
Formal Charge0
Complexity218
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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