Basic information
- CAS
87626-55-9- Standard SMILES
O=C(O)Cc1cccc2c(=O)cc(-c3ccccc3)oc12- InChIKey
TZZNWMJZDWYJAZ-UHFFFAOYSA-N- Molecular formula
- C17H12O4
- Average molar mass
- 280.27 g/mol
- Monoisotopic mass
- 280.07355886
Overview
Mitoflaxone is a small molecule drug. Mitoflaxone has a monoisotopic molecular weight of 280.07 Da.
Names & identifiers
- Preferred name
- Flavone-8-Acetic Acid
- IUPAC
- 2-(4-oxo-2-phenylchromen-8-yl)acetic acid
- English name
- Mitoflaxone
- Molecular formula
- C17H12O4
- Molecular weight
- 280.27
Names & synonyms
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-
Show more names
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]
Database identifiers
- CAS
87626-55-9- PubChem CID
- 55748
- DTXSID
DTXSID50236534- ChEMBL
CHEMBL443793- UNII
- X230G6E63B
- Nikkaji
- J227.455H
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 448
Experimental & physicochemical properties
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.
Physicochemical properties
- Melting point
- 234 °C · 234 °C(Solv: ethanol (64-17-5))
- Boiling point
- 507.9 · 507.9±50.0 °C(Predicted)
- Density
- 1.355 · 1.355±0.06 g/cm3(Predicted)
- pka
- 4.16 · 4.16±0.10(Predicted)
- FDA UNII
- 230 G6E63B · X230G6E63B
- NCI Drug Dictionary
- flavone acetic acid
Chemistry & industry
Pharmacology
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.
Suppliers6 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
上海永叶生物科技有限公司86-021-61559134 15921386130 · [email protected]
上海澄绍生物科技有限公司021-61847300 13341622919 · [email protected]
南京尚书生物科技有限公司18266960953 · [email protected]
上海抚生实业有限公司021-52961053 13524666654 · [email protected]
Related reactions
1 records
Compound notes
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