CAS 53949-53-4

2-[4′-(1-Hydroxy-2-methylpropyl)phenyl]propionic acid

Description:

2-[4′-(1-Hydroxy-2-methylpropyl)phenyl]propionic acid, commonly known as a non-steroidal anti-inflammatory drug (NSAID), exhibits several notable characteristics. It is a white to off-white crystalline powder that is soluble in organic solvents but has limited solubility in water. The compound features a propionic acid moiety, which contributes to its anti-inflammatory and analgesic properties. Its structure includes a phenyl ring substituted with a hydroxy group and a branched alkyl chain, which influences its pharmacokinetic profile, including absorption and metabolism. The compound acts by inhibiting cyclooxygenase enzymes, thereby reducing the synthesis of prostaglandins involved in inflammation and pain signaling. Additionally, it may exhibit varying degrees of selectivity for COX-1 and COX-2 isoforms, impacting its therapeutic effects and side effect profile. As with many NSAIDs, potential side effects may include gastrointestinal discomfort and cardiovascular risks, necessitating careful consideration in clinical use. Overall, this compound represents a significant class of medications used for pain relief and inflammation management.

Formula: C₁₃H₁₈O₃

InChI: InChI=1S/C13H18O3/c1-8(2)12(14)11-6-4-10(5-7-11)9(3)13(15)16/h4-9,12,14H,1-3H3,(H,15,16)

InChI key: InChIKey=RMOQYHYFRKTDRI-UHFFFAOYSA-N

SMILES: C(C(O)=O)(C)C1=CC=C(C(C(C)C)O)C=C1

Synonyms:

• 2-[4′-(1-Hydroxy-2-methylpropyl)phenyl]propionic acid
• Benzeneacetic acid, 4-(1-hydroxy-2-methylpropyl)-α-methyl-
• 2-[4-(1-Hydroxy-2-methylpropyl)phenyl]propanoic acid
• 4-(1-Hydroxy-2-methylpropyl)-α-methylbenzeneacetic acid
• 1-Hydroxyibuprofen
• Imp. L (EP): 2-[4-(1-Hydroxy-2-methylpropyl)phenyl]propanoic Acid(1-Hydroxyibuprofen)
• Ibuprofen EP Impurity L
• Ibuprofen EP Impurity
• 2-[4-(1-Hydroxy-2-methylpropyl)phen
• Ibuprofen EP Impurity L：Ibuprofen Impurity L
• Ibuprofen Impurity 12
• 1-Hydroxy Ibuprofen (Ibuprofen Impurity L)
• Ibuprofen impurity 6/Ibuprofen EP Impurity L/1-Hydroxy Ibuprofen
• Ibuprofen IMpurity-L(EP/BP)
• 1-Hydroxy Ibuprofen (Ibuprofen Impurity L)(Mixture of Diastereomers)
• Benzeneacetic acid, 4-(1-hydroxy-2-methylpropyl)--alpha--methyl- (9CI)
• 1-Hydroxy-ibuprofen - Mixture of diastereoisomers

Hydroxy Ibuprofen (2-[4-(1-Hydroxy-2-methylpropyl)phenyl]propanoic acid)

CAS: 53949-53-4

Carboxylic acids w/ alcohol function but w/o other oxygen function and their derivatives, nesoi

Formula: C₁₃H₁₈O₃

Color and Shape: White Solid

Molecular weight: 222.12559

Ref: 45-1A13310

2-(4-(1-Hydroxy-2-methylpropyl)phenyl)propanoic acid

CAS: 53949-53-4

2-(4-(1-Hydroxy-2-methylpropyl)phenyl)propanoic acid

Purity: 99%

Molecular weight: 222.28g/mol

Ref: 54-OR1065756

1-Hydroxy-ibuprofen

CAS: 53949-53-4

1-Hydroxy Ibuprofen, a metabolite in P. australis, targets COX-1/COX-2 with IC50s: 13 μM/370 μM.

Formula: C₁₃H₁₈O₃

Color and Shape: Solid

Molecular weight: 222.2802

Ref: TM-T38215

Ibuprofen EP Impurity L

CAS: 53949-53-4

Formula: C₁₃H₁₈O₃

Color and Shape: White To Off-White Solid

Molecular weight: 222.28

Ref: 4Z-I-0437

2-[4-(1-Hydroxy-2-methylpropyl)phenyl]propanoic Acid (1-Hydroxyibuprofen)

Controlled Product

CAS: 53949-53-4

Formula: C₁₃H₁₈O₃

Color and Shape: Neat

Molecular weight: 222.28

Ref: 86-MM0002.24

Ibuprofen-1-hydroxy

CAS: 53949-53-4

Formula: C₁₃H₁₈O₃

Color and Shape: Neat

Molecular weight: 222.28

Ref: 04-C14278150

1-Hydroxy Ibuprofen (Ibuprofen Impurity L) (Mixture of Diastereomers)

CAS: 53949-53-4

Impurity Ibuprofen EP Impurity L
Applications 1-Hydroxy Ibuprofen (Ibuprofen EP Impurity L) is a degradation product of Ibuprofen.
References Forrest, J., et al.: Clin. Pharmacokinet., 7(2), 93 (1982), Shockcor, J., et al.: Xenobiotica, 26, 189 (1996), Nicholls, A., et al.: Chem. Res. Toxicol., 14, 975 (2001), Holmes, E., et al.: Toxicol. Sci., 87, 1 (2005),

Formula: C₁₃H₁₈O₃

Color and Shape: Off-White

Molecular weight: 222.28

Ref: TR-H942858

Ibuprofen EP Impurity L

CAS: 53949-53-4

Formula: C₁₃H₁₈O₃

Molecular weight: 222.28

Ref: ST-EA-CP-I2012

1-Hydroxy-ibuprofen - Mixture of diastereoisomers

CAS: 53949-53-4

Ibuprofen is a nonsteroidal anti-inflammatory drug that is used to treat arthritis, rheumatoid arthritis, menstrual cramps and pain. Ibuprofen is a racemic mixture of two enantiomers, ibuprofen and S (+) -ibuprofen. The dextran sulfate method is an analytical method used to determine the concentration of ibuprofen in biological fluids such as human serum or urine. This test can be done by first treating the sample with trifluoroacetic acid (TFA) to convert ibuprofen to its glucuronide conjugate. The glucuronide conjugates are then deproteinized with hydrochloric acid, which converts them into their corresponding carboxylated derivatives. This conversion allows for the separation of ibuprofen from interfering substances using preparative hplc and quantification using mass spectrometry. Toxicity studies have been conducted on bacteria strains and inflammatory bowel

Formula: C₁₃H₁₈O₃

Purity: Min. 95%

Color and Shape: White Powder

Molecular weight: 222.28 g/mol

Ref: 3D-IH31798