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| Chemical & Physical Properties | |
|---|---|
| CAS Number | 53949-53-4 |
| Catalog No. | 2A-3175278 |
| Chinese Name | 1-羟基异丁基苯基-1'-甲基丙酸 |
| Synonyms | 1-Hydroxy Ibuprofen; UNII-8A1S87ZA87; 1-OH-ibuprofen; 1-Hydroxy Ibuprofe; 1-Hydroxyibuprofen |
| Molecular Formula | C13H18O3 |
| Molecular Weight | 222.28 |
| Purity | ≥98.0 (HPLC) |
| Melting Point | 80-85ºC |
| Storage Condition | -20°C Freezer |
| Application | 1-Hydroxy Ibuprofen is the active metabolite of Ibuprofen. Ibuprofen is an inhibitor of COX-1 and COX-2 with IC50 values of 13 μM and 370 μM respectively, and has anti-inflammatory activity. |
| PubChem ID | 329759723 |
| MDL Number | MFCD08275586 |
| SMILES | CC(C)C(O)c1ccc(cc1)C(C)C(O)=O |
| 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 | RMOQYHYFRKTDRI-UHFFFAOYSA-N |
| Beilstein/REAXYS | 22307543 |
| NACRES Code | NA.24 |
| UNSPSC | 41116107 |
| MSDS | msds/175702_1_53949_53_4.pdf |
| Bioactivity | 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 >> Cancer Research Areas >> Inflammation/Immunology Signaling 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 |
| Use of | 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]. Properties Name 2-[4-(1-Hydroxy-2-methylpropyl)phenyl]propanoic acid Synonym More Synonyms 1-Hydroxy-ibuprofen Biological Activity 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 >> Cancer Research Areas >> Inflammation/Immunology Signaling 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 Molecular Formula C13H18O3 Exact Mass 222.12600 PSA 57.53000 LogP 2.56410 InChIKey RMOQYHYFRKTDRI-UHFFFAOYSA-N |
| Transport Info | Product Name: 1-Hydroxy-ibuprofen |
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