Hymecromon
4-Methylumbelliferone
Grundinformationen
- CAS
90-33-5- Standard-SMILES
Cc1cc(=O)oc2cc(O)ccc12- InChIKey
HSHNITRMYYLLCV-UHFFFAOYSA-N- Summenformel
- C10H8O3
- Durchschnittliche Molmasse
- 176,17 g/mol
- Monoisotopische Masse
- 176,04734412
Überblick
Beta-methylumbelliferone appears as colorless crystals. Insoluble in water. (NTP, 1992)
Namen und Bezeichner
- Bevorzugter Name
- 4-Methylumbelliferone
- IUPAC
- 7-hydroxy-4-methylchromen-2-one
- Lokaler Name
- Hymecromon
- Englischer Name
- 4-Methylumbelliferone
- Summenformel
- C10H8O3
- Molmasse
- 176.17
Namen und Synonyme
4-methylumbelliferoneHymecromone90-33-57-Hydroxy-4-methyl-2H-chromen-2-oneImecromoneCantabilineCrodimonCholonertonHymecromonHimecromonaHymecromonumResocyanine
Weitere Namen anzeigen
7-HYDROXY-4-METHYLCOUMARIN4-MU4-METHYL-7-HYDROXYCOUMARIN7-HYDROXY-4-METHYL-CHROMEN-2-ONE4-MethylumbelliferonBMUMedillaBilcolic
2H-1-Benzopyran-2-one, 7-hydroxy-4-methyl-7-Hydroxy-4-methyl-2H-1-benzopyran-2-one7-hydroxy-4-methylchromen-2-one7-Hydroxy-4-methyl-2-oxo-2H-1-benzopyranLM-947-hydroxy-4-methyl-coumarin7-Hydroxy-4-methyl-2-oxo-3-chromeneDTXSID8025670
Datenbank-Bezeichner
- CAS
90-33-5- PubChem CID
- 5280567
- DTXSID
DTXSID8025670- ChEMBL
CHEMBL12208- ChEBI
CHEBI:17224- UNII
- 3T5NG4Q468
- EC Number
- 201-986-7
- Nikkaji
- J1.763.999D、J3.914D
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,9
- Polarare Oberfläche (TPSA)
- 46,5 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 257
Experimentelle und physikochemische Eigenschaften
Chemical Classes
Other Classes -> Other Aromatic Compounds
Industrial compound
Drugs
Pharmaceuticals -> Listed in ZINC15
Pharmaceuticals
SpringerMaterials PropertiesAngular frequency
LogP1.9
SolubilityInsoluble (NTP, 1992)
Melting Point381 to 383 °F (NTP, 1992)
Vapor Pressure0.00000724 [mmHg]
Physical Description
Beta-methylumbelliferone appears as colorless crystals. Insoluble in water. (NTP, 1992)
Colorless solid; [CAMEO] Off-white powder; [Acros Organics MSDS]
Solid
Collision Cross Section133.3 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID8025670]
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 340 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: 2H-1-Benzopyran-2-one, 7-hydroxy-4-methyl-
2H-1-Benzopyran-2-one, 7-hydroxy-4-methyl-: Does not have an individual approval but may be used under an appropriate group standard
Fire HazardsFlash point data for this chemical are not available. It is probably combustible. (NTP, 1992)
Health HazardsSYMPTOMS: Symptoms of exposure to this compound may include local irritation of the skin, eyes and mucous membranes.
Hazards Summary
An irritant; [NTP] Causes tearing, ptosis, and altered sleep time in oral lethal-dose studies of mice and rats; Causes changes in liver and pituitary weights in 26-week constant oral studies of rats; [RTECS] An irritant; Harmful by inhalation and skin absorption; [Acros Organics MSDS]
Reactive GroupEsters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters
Air and Water ReactionsInsoluble in water.
Chemie und Industrie
Pharmakologische Informationen
ATC Code
A - Alimentary tract and metabolism
QA - Alimentary tract and metabolism
Metabolism/Metabolites4-Methylumbelliferone has known human metabolites that include 4-Methylumbelliferone O-glucuronide.
MeSH Pharmacological Classification
Substances used for the detection, identification, analysis, etc. of chemical, biological, or pathologic processes or conditions. Indicators are substances that change in physical appearance, e.g., color, at or approaching the endpoint of a chemical titration, e.g., on the passage between acidity and alkalinity. Reagents are substances used for the detection or determination of another substance by chemical or microscopical means, especially analysis. Types of reagents are precipitants, solvents, oxidizers, reducers, fluxes, and colorimetric reagents. (From Grant & Hackh's Chemical Dictionary, 5th ed, p301, p499)
Verwendung und Herstellung
Uses
Used as an analytical reagent, fluorescent indicator, and antispasmodic drug; [Merck Index] Used in tunable lasers; [NTP]
Use (kg; approx.) in Germany (2009): >2500
General Manufacturing Information2H-1-Benzopyran-2-one, 7-hydroxy-4-methyl-: ACTIVE
Anwendungen
Verwenden4-methylumbelliferone (4-MU) is a dietary supplement that inhibits hyaluronic acid (HA) synthesis. HA is a prominent component of the extracellular matrix at many sites of chronic inflammation, including type 1 diabetes (T1D), multiple sclerosis, and numerous malignancies. 4-MU is an already approved drug in Europe and Asia called “hymecromone” where it is used to treat biliary spasm.
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