Nabumetone
Modify Date: 2026-06-29 21:31:28
Nabumetone structure
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Common Name | Nabumetone | ||
|---|---|---|---|---|
| CAS Number | 42924-53-8 | Molecular Weight | 228.286 | |
| Density | 1.1±0.1 g/cm3 | Boiling Point | 371.1±17.0 °C at 760 mmHg | |
| Molecular Formula | C15H16O2 | Melting Point | 80-81ºC | |
| MSDS | Chinese USA | Flash Point | 165.4±14.5 °C | |
Use of NabumetoneNabumetone is an orally active non-acidic anti-inflammatory agent, acts as a potent and selective COX-2 inhibitor, and is the prodrug of the active metabolite 6MNA. |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | nabumetone |
|---|---|
| Synonym | More Synonyms |
This table contains bioactivity, target information and biological‑assay experimental data of this compound.
| Description | Nabumetone is an orally active non-acidic anti-inflammatory agent, acts as a potent and selective COX-2 inhibitor, and is the prodrug of the active metabolite 6MNA. |
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| Related Catalog | |
| Target |
COX-2 |
| In Vitro | Nabumetone is a potent and selective COX-2 inhibitor. Nabumetone (50 μmol-2 mmol) dose-dependently inhibits the proliferation of K-562 and Meg-01 cells, but shows no obvious apoptotic effect. Nabumetone potentiates the apoptotic effect of ADR in the K-562 cell line. Moreover, Nabumetone reduces Bcl-2 expression[1]. |
| In Vivo | Nabumetone (79 mg/kg, p.o.) inhibits paw oedema and paw exudate PGE2 in rats. Nabumetone does not induce gastric damage and causes only 57% inhibition of gastric mucosal 6-keto-PGF1α production in rats[2]. Nabumetone (25, 50, 100 mg/kg, i.p.) dose-dependently inhibits the increase of DDC-induced mucus secretion and stimulates stress-induced mucus secretion in rats. Nabumetone (25 mg/kg, i.p.) significantly suppresses stress-induced ulcer index in rats[3]. |
| Cell Assay | Every cell line is plated into 6-well plates at a concentration of 3 × 105/mL with or without drugs (Nabumetone, etc.) and incubated for 48 h. Viable cells are then counted using the trypan blue dye exclusion test. The percentage of proliferation inhibition is calculated as 1-(viable cells exposed to drug/viable cells in control) ×100[1]. |
| Animal Admin | Rats[3] Albino male rats (250- to 300-g body weight) are used in the study. The animals are maintained in a single cage and are deprived of food for 16 h before the onset of experiments. Free access to water is allowed until 1 h before the beginning of experiments. There are eight rats in each group. The animals are pretreated with intraperitoneal injections of Nabumetone or dipyrone at 25-, 50-, or 100-mg/kg doses for 3 days[3]. |
| References |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.1±0.1 g/cm3 |
|---|---|
| Boiling Point | 371.1±17.0 °C at 760 mmHg |
| Melting Point | 80-81ºC |
| Molecular Formula | C15H16O2 |
| Molecular Weight | 228.286 |
| Flash Point | 165.4±14.5 °C |
| Exact Mass | 228.115036 |
| PSA | 26.30000 |
| LogP | 2.82 |
| Vapour Pressure | 0.0±0.8 mmHg at 25°C |
| Index of Refraction | 1.576 |
| InChIKey | BLXXJMDCKKHMKV-UHFFFAOYSA-N |
| SMILES | COc1ccc2cc(CCC(C)=O)ccc2c1 |
| Storage condition | Refrigerator |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
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This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Personal Protective Equipment | Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter |
|---|---|
| Hazard Codes | Xn |
| Risk Phrases | 22-40 |
| Safety Phrases | 36/37 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 2 |
| RTECS | EL9085000 |
| HS Code | 2914399090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 10 | |
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| DownStream 3 | |
CAS#:73356-31-7
CAS#:598-32-3
CAS#:5111-65-9
CAS#:127053-22-9
CAS#:3453-33-6
CAS#:78-94-4
CAS#:67-64-1
CAS#:136579-95-8
CAS#:917-64-6
CAS#:32725-05-6
CAS#:65726-24-1
CAS#:68427-22-5This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2914509090 |
|---|---|
| Summary | HS:2914509090 other ketones with other oxygen function VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0% |
This table lists relevant public references with title, journal and publication metadata for this compound.
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Exploration of alternate catalytic mechanisms and optimization strategies for retroaldolase design.
J. Mol. Biol. 426(1) , 256-71, (2014) Designed retroaldolases have utilized a nucleophilic lysine to promote carbon-carbon bond cleavage of β-hydroxy-ketones via a covalent Schiff base intermediate. Previous computational designs have inc... |
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Hypersensitivity to nabumetone: cross reactivity with naproxen.
Ann. Allergy Asthma Immunol. 111(1) , 74-5, (2013)
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Effects of nabumetone and dipyrone on experimentally induced gastric ulcers in rats.
Inflammation 36(2) , 476-81, (2013) Nabumetone and dipyrone are non-acidic, nonsteroidal anti-inflammatory drugs. Both of them are known to have weak inhibitory effects of cyclooxygenases. Gastric side effects represent the most common ... |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Primary qHTS assay for inhibitors of alpha-synuclein gene (SNCA) expression
Source: NCGC
External Id: SNCA-p-activity-luciferase
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Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN
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Name: Cytochrome P450 Family 1 Subfamily A Member 2 (CYP1A2) small molecule antagonists: lu...
Source: 824
External Id: CYP273
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Name: Increase the activity of the Burkholderia fixLJ 2-component system
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: Burkholderia multivorans
External Id: HMS1625
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Name: Fluorescence-based cell-based primary high throughput screening assay to identify pos...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_PAM_FLUO8_1536_1X%ACT PRUN
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Name: qHTS Assay for Small Molecule Inhibitors of the Human hERG Channel Activity
Source: NCGC
External Id: HERG01
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Name: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen
Source: NCGC
Target: N/A
External Id: SMAD3201
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Name: uHTS identification of cystic fibrosis induced NFkb Inhibitors in a fluoresence assay
Source: Burnham Center for Chemical Genomics
Target: cystic fibrosis transmembrane conductance regulator [Homo sapiens]
External Id: SBCCG-A764-CF-PAF-Primary-Assay
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Name: Fluorescence-based cell-based primary high throughput screening assay to identify ant...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_ANT_FLUO8_1536_1X%INH PRUN
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 4-(6-méthoxynaphtalén-2-yl)butan-2-one |
| Mebutan |
| Relifen |
| 4-(6-Methoxy-2-naphthyl)-butan-2-one |
| Arthaxan |
| Relif |
| 4-(6-Methoxynaphthalen-2-yl)butan-2-on |
| 4-(6-methoxynaphthalen-2-yl)butan-2-one |
| Nabumetona |
| 4-(6-Methoxy-2-naphthyl)butan-2-one |
| MFCD00079518 |
| Nabumetone |
| Relafen |
| Listran |
| Nabuser |
| Relifex |
| Dolsinal |
| 4-(6-Methoxy-2-naphthyl)-2-butanone |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the melting point of nabumetone? |
| A: Melting point of nabumetone is 80-81ºC. |
| Q: What are the storage conditions for nabumetone? |
| A: Storage conditions for nabumetone: Refrigerator. |
| Q: What are the downstream products of nabumetone? |
| A: Related downstream products(CAS) of nabumetone: 3453-33-6;65726-24-1;68427-22-5. |
| Q: What is the SMILES notation of nabumetone? |
| A: SMILES notation of nabumetone is COc1ccc2cc(CCC(C)=O)ccc2c1. |
| Q: What are the uses of nabumetone? |
| A: Main uses of nabumetone: Nabumetone is an orally active non-acidic anti-inflammatory agent, acts as a potent and selective COX-2 inhibitor, and is the prodrug of the active metabolite 6MNA. |
| Q: What English synonyms does nabumetone have? |
| A: English synonyms of nabumetone: 4-(6-méthoxynaphtalén-2-yl)butan-2-one, Mebutan, Relifen, 4-(6-Methoxy-2-naphthyl)-butan-2-one, Arthaxan, Relif, 4-(6-Methoxynaphthalen-2-yl)butan-2-on, 4-(6-methoxynaphthalen-2-yl)butan-2-one, Nabumetona, 4-(6-Methoxy-2-naphthyl)butan-2-one, MFCD00079518, Nabumetone, Relafen, Listran, Nabuser, Relifex, Dolsinal, 4-(6-Methoxy-2-naphthyl)-2-butanone. |
| Q: What is the safety information for nabumetone? |
| A: Safety information for nabumetone: 36/37. |
| Q: What is the molecular formula of nabumetone? |
| A: Molecular formula of nabumetone is C15H16O2. |
| Q: What is the LogP of nabumetone? |
| A: LogP of nabumetone is 2.82. |
| Q: What is the polar surface area (PSA) of nabumetone? |
| A: Polar surface area (PSA) of nabumetone is 26.30000. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Henan Tianfu Chemical Co., Ltd. |