Products for Research Use Only
RegisterLogin

Ibuprofen guaiacol ester

CAT: 0804-HY-108308-01Size: 1 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0804-HY-108308-01Size:1 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Ibuprofen guaiacol ester (AF 2259; Metoxibutropate) is an orally active mutual prodrug of Ibuprofen and Guaiacol (HY-N1380), designed to reduce the gastrointestinal (GI) side effects of ibuprofen. Ibuprofen guaiacol ester inhibits the synthesis of prostaglandin. Ibuprofen guaiacol ester inherits the antipyretic, analgesic and anti-inflammatory properties of Ibuprofen and Guaiacol, but reduces gastric damage. Ibuprofen guaiacol ester can be used to alleviate gastric erosion/ulcers induced by classic anti-inflammatory agent (such as Ibuprofen)[2].
CAS Number
66332-77-2
Product Name Alternative
Methoxybutropate; AF 2259; Metoxibutropate
UNSPSC
12352005
Target
Prostaglandin Receptor
Type
Reference compound
Related Pathways
GPCR/G Protein
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Metabolic Disease; Inflammation/Immunology; Neurological Disease
Assay Protocol
https://www.medchemexpress.com/ibuprofen-guaiacol-ester.html
Purity
98.49
Solubility
DMSO : 50 mg/mL (ultrasonic)
Smiles
O=C(OC1=CC=CC=C1OC)C(C)C2=CC=C(CC(C)C)C=C2
Molecular Formula
C20H24O3
Molecular Weight
312.40
References & Citations
[1]Fossati A, et al. Effects of metoxibutropate, ibuprofen and guaiacol on the gastrointestinal system. Int J Tissue React. 1991;13 (1) :45-50.|[2]V. Cioli, et al. A toxicological and pharmacological study of ibuprofen guaiacol ester (AF 2259) in the rat. Toxicology and Applied Pharmacology. 1980, 54 (2) : 332-339.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

2-Methoxyphenyl alpha-methyl-4-(2-methylpropyl)benzeneacetate

Ibuprofen guaiacol ester is a monoterpenoid.

CAS Number66332-77-2
PubChem CID4464271
IUPAC Name(2-methoxyphenyl) 2-[4-(2-methylpropyl)phenyl]propanoate
Molecular FormulaC20H24O3
Molecular Weight312.4
XLogP5.4
Topological Polar Surface Area35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Heavy Atom Count23
Formal Charge0
Complexity358
SMILES
CC(C)CC1=CC=C(C=C1)C(C)C(=O)OC2=CC=CC=C2OC
InChI
InChI=1S/C20H24O3/c1-14(2)13-16-9-11-17(12-10-16)15(3)20(21)23-19-8-6-5-7-18(19)22-4/h5-12,14-15H,13H2,1-4H3
InChIKey
FVRWRGBTEHAPDI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Methoxyphenyl alpha-methyl-4-(2-methylpropyl)benzeneacetate
CAS: 66332-77-2
CID: 4464271
Formula: C20H24O3
MW: 312.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight312.4
XLogP35.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Exact Mass312.17254462
Monoisotopic Mass312.17254462
Topological Polar Surface Area35.5 Ų
Heavy Atom Count23
Formal Charge0
Complexity358
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
HY-N1380-01Guaiacol
HY-N1380S-01Guaiacol-d7
HY-N1380S1-01Guaiacol-d3
HY-N1380S3-01Guaiacol-d4
HY-N1380S2-01Guaiacol-13C6
HY-N1380R-01Guaiacol (Standard)
HY-Y1876-01Guaiacol Carbonate
HY-78131-01Ibuprofen
HY-N1380S4Guaiacol-d4-1
HY-W717913-01Guaiacol-β-D-glucopyranoside-d3

Alternative Products

CatalogName
452164-01(±) -Ibuprofen Methyl Ester
TRC-I140210-1GIbuprofen PEG Ester
AR-I01082-01Ibuprofen Methyl Ester
014707Ibuprofen Methocarbamol Ester
MBS5814339Ibuprofen ethyl ester
AR-I02950-01PEG-Ibuprofen Ester
FI157493-01Ibuprofen sorbitan ester
RM-I210424-01Ibuprofen Pseudoephedrine Ester
MBS5777282Ibuprofen diethylaminoethyl ester
TRC-I140090-10GIbuprofen Isopropyl Ester

Popular Products