Basic information
- CAS
5725-89-3- Standard SMILES
COc1ccc2nc3ccc(=O)cc-3oc2c1- InChIKey
KNYYMGDYROYBRE-UHFFFAOYSA-N- Molecular formula
- C13H9NO3
- Average molar mass
- 227.21 g/mol
- Monoisotopic mass
- 227.05824315
Names & identifiers
- Preferred name
- 7-Methoxyresorufin
- IUPAC
- 7-methoxyphenoxazin-3-one
- English name
- METHOXYRESORUFIN
- Molecular formula
- C13H9NO3
- Molecular weight
- 227.22
Names & synonyms
7-Methoxy-3H-phenoxazin-3-one5725-89-37-Methoxyresorufin3H-Phenoxazin-3-one, 7-methoxy-methyl resorufin ethermethoxy-resorufin etherDTXSID80205859RefChem:106320DTXCID60128350Resorufin methyl etherMethoxyresorufin7-methoxyphenoxazin-3-one
Show more names
O7-Methylresorufin7-MethoxyphenoxazoneFluazifop Impurity 5Methoxyresorufin - 5 mg
MFCD00037663Resorufin 7-O-methyl etherO-Methylresorufin7-methoxy resorufinResorufinmethyl etherO7-METHYLRESORUFINESCHEMBL563392orb1704373
Database identifiers
- CAS
5725-89-3- PubChem CID
- 119220
- DTXSID
DTXSID80205859- ChEMBL
CHEMBL3943621- Nikkaji
- J246.013K
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 47.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 436
Physicochemical properties
- Melting point
- 220 °C · ≥220 °C(lit.)
- Boiling point
- 378.8 · 378.8±42.0 °C(Predicted)
- Density
- 1.33 · 1.33±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- DMF: soluble
- pka
- 1.42 · 1.42±0.20(Predicted)
- form
- Powder
- color
- Brown to reddish brown
- Appearance
- Solid Powder
- BRN
- 209529 · 209529
- InChI
- 1S/C13H9NO3/c1-16-9-3-5-11-13(7-9)17-12-6-8(15)2-4-10(12)14-11/h2-7H,1H3
- InChIKey
- KNYYMGDYROYBRE-UHFFFAOYSA-N
- SMILES
- COc1ccc2N=C3C=CC(=O)C=C3Oc2c1
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 47 · NA.47
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- Safety Statements
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory Information3H-Phenoxazin-3-one, 7-methoxy-: Does not have an individual approval but may be used under an appropriate group standard
Regulatory information
Regulatory Information3H-Phenoxazin-3-one, 7-methoxy-: Does not have an individual approval but may be used under an appropriate group standard
Safety data
- F
- 3-8-10
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- safety_code
- 22-24/25
- Storage Class
- 13 - Non Combustible Solids
Chemistry & industry
Pharmacology
Metabolism/Metabolites7-Methoxyresorufin has known human metabolites that include Resorufin.
Applications
DescriptionMethoxyresorufin is a fluorogenic substrate for the cytochrome P450 (CYP) isoforms CYP1A1 and CYP1A2. Methyoxyresorufin is O-demethylated by CYP1A1/2, releasing resorufin, which displays excitation/emission maxima of 570/580 nm, respectively. The appearance of resorufin fluorescence can be used to quantify CYP1A1/2 activity.
UsesUsed to differentiate isozymes of cytochrome P-450
UsesSubstrate for Cytochrome P-450. METHOXYRESORUFIN is used for various investigations including the differentiatiation of cytochrome P-450 isozymes.
UsesResorufin methyl ether have been used as substrate in the incubation mixture, during the determination of cytochrome P4501A activities such as ethoxyresorufin O-deethylase (EROD) and methoxyresorufin O-demethylase(MROD) in liver microsomes, using high performance liquid chromatography(HPLC).
Suppliers30 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
湖南韵邦生物科技股份有限公司85561037 15386497078 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
北京科迈启医药科技有限公司15910349257 15910349257 · [email protected]
Syntechem Co.,Ltd[email protected]
安耐吉化学&3A（安徽泽升科技有限公司）
Related reactions
2 records
Compound notes
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