CAS 53949-53-4|1-Hydroxy-ibuprofen
Introduction：Basic information about CAS 53949-53-4|1-Hydroxy-ibuprofen, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 1-Hydroxy-ibuprofen | ||
|---|---|---|---|
| CAS Number | 53949-53-4 | Molecular Weight | 222.28000 |
| Density | / | Boiling Point | / |
| Molecular Formula | C13H18O3 | Melting Point | 80-85ºC |
| MSDS | ChineseUSA | Flash Point | / |
| Symbol | GHS07 | Signal Word | Warning |
Names
| Name | 2-[4-(1-Hydroxy-2-methylpropyl)phenyl]propanoic acid |
|---|---|
| Synonym | More Synonyms |
1-Hydroxy-ibuprofen BiologicalActivity
| Description | 1-Hydroxy Ibuprofen is a metabolite of Ibuprofen in P. australis[1]. Ibuprofen is an anti-inflammatory inhibitor targeting COX-1 and COX-2 with IC50s of 13 μM and 370 μM, respectively[1]. |
|---|---|
| Related Catalog | Research Areas >>CancerResearch Areas >>Inflammation/ImmunologySignaling Pathways >>Immunology/Inflammation >>COX |
| References | [1]. Yujie He, et al. Metabolism of Ibuprofen by Phragmites australis: Uptake and Phytodegradation. Environ Sci Technol. 2017 Apr 18;51(8):4576-4584. [2]. Noreen Y, et al. Development of a radiochemical cyclooxygenase-1 and -2 in vitro assay for identification of natural products as inhibitors of prostaglandin biosynthesis. J Nat Prod. 1998 Jan;61(1):2-7. |
Chemical & Physical Properties
| Melting Point | 80-85ºC |
|---|---|
| Molecular Formula | C13H18O3 |
| Molecular Weight | 222.28000 |
| Exact Mass | 222.12600 |
| PSA | 57.53000 |
| LogP | 2.56410 |
| InChIKey | RMOQYHYFRKTDRI-UHFFFAOYSA-N |
| SMILES | CC(C(=O)O)c1ccc(C(O)C(C)C)cc1 |
| Storage condition | -20°C Freezer |
Safety Information
| Symbol | GHS07 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H302 |
| Precautionary Statements | P301 + P312 + P330 |
| Hazard Codes | Xn |
| Risk Phrases | 22 |
| Safety Phrases | 36 |
| RIDADR | NONH for all modes of transport |
Articles1
More Articles| Assessment of non-steroidal anti-inflammatory and analgesic pharmaceuticals in seawaters of North of Portugal: occurrence and environmental risk. Sci. Total Environ. 508 , 240-50, (2015) The occurrence of seven pharmaceuticals and two metabolites belonging to non-steroidal anti-inflammatory drugs and analgesics therapeutic classes was studied in seawaters. A total of 101 samples cover... |
Synonyms
| 1-Hydroxy Ibuprofen |
| Ibuprofen Impurity L |
| UNII-8A1S87ZA87 |
| 1-OH-ibuprofen |
| 1-Hydroxy Ibuprofe |
| 1-Hydroxyibuprofen |
| Ibuprofen Impurity 12 |
