Grundinformationen
- Standard-SMILES
O=C(O)Cc1cccc2c(=O)cc(-c3ccccc3)oc12- InChIKey
TZZNWMJZDWYJAZ-UHFFFAOYSA-N- Summenformel
- C17H12O4
- Durchschnittliche Molmasse
- 280,27 g/mol
- Monoisotopische Masse
- 280,07355886
Überblick
Mitoflaxone is a small molecule drug. Mitoflaxone has a monoisotopic molecular weight of 280.07 Da.
Namen und Bezeichner
- Bevorzugter Name
- Flavone-8-Acetic Acid
- IUPAC
- 2-(4-oxo-2-phenylchromen-8-yl)acetic acid
- Englischer Name
- Mitoflaxone
- Summenformel
- C17H12O4
- Molmasse
- 280.27
Namen und Synonyme
MitoflaxoneFlavone acetic acid87626-55-9flavone-8-acetic acidLM-975MitoflaxonaNSC-347512MitoflaxonumNSC 3475124-Oxo-2-phenyl-4H-1-benzopyran-8-acetic acidNSC3475124H-1-BENZOPYRAN-8-ACETIC ACID, 4-OXO-2-PHENYL-
Weitere Namen anzeigen
NSC-37512FLAVONE-8-ACETICACID2-(4-oxo-2-phenylchromen-8-yl)acetic acid2-(4-oxo-2-phenyl-4H-chromen-8-yl)acetic acid(WXG00880)
2-Phenyl-8-(carboxymethyl)-benzopyran-4-oneDTXSID50236534X230G6E63BRefChem:159087DTXCID80159025(4-Oxo-2-phenyl-4H-chromen-8-yl)-acetic acid4H-1-benzopyran-8-acetic Acid, 4-Oxo-2-phenylMitoflaxone [INN]
Datenbank-Bezeichner
- CAS
87626-55-9- PubChem CID
- 55748
- DTXSID
DTXSID50236534- ChEMBL
CHEMBL443793- UNII
- X230G6E63B
- Nikkaji
- J227.455H
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3
- Polarare Oberfläche (TPSA)
- 63,6 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 21
- Formalladung
- 0
- Komplexität
- 448
Experimentelle und physikochemische Eigenschaften
Solubility
Water < 0.1 (mg/mL)
0.1 N NaOH ~20 (mg/mL)
0.1 N HCl < 0.1 (mg/mL)
0.1 M NaHCO3 < 0.3 (mg/mL)
95% EtOH 1 (mg/mL)
MeOH 1 (mg/mL)
Stability/Shelf LifeBulk: As a bulk chemical, Flavone -8- acetic acid is stable for at least 3 months at 60 °C (HPLC).
Solution: Solutions of 1 mg/mL dissolved in 0.1 N NaOH (pH 9) showed no decomposition for at least 27 hours.
Physikochemische Eigenschaften
- Schmelzpunkt
- 234 °C · 234 °C(Solv: ethanol (64-17-5))
- Siedepunkt
- 507.9 · 507.9±50.0 °C(Predicted)
- Dichte
- 1.355 · 1.355±0.06 g/cm3(Predicted)
- pka
- 4.16 · 4.16±0.10(Predicted)
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological Classification
Substances that augment, stimulate, activate, potentiate, or modulate the immune response at either the cellular or humoral level. The classical agents (Freund's adjuvant, BCG, Corynebacterium parvum, et al.) contain bacterial antigens. Some are endogenous (e.g., histamine, interferon, transfer factor, tuftsin, interleukin-1). Their mode of action is either non-specific, resulting in increased immune responsiveness to a wide variety of antigens, or antigen-specific, i.e., affecting a restricted type of immune response to a narrow group of antigens. The therapeutic efficacy of many biological response modifiers is related to their antigen-specific immunoadjuvanticity.
Substances that inhibit or prevent the proliferation of NEOPLASMS.
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