2-(4-(dimethylamino)phenyl)-7,8-dihydroxy-4H-chromen-4-one
Grundinformationen
- CAS
1205548-00-0- Standard-SMILES
CN(C)c1ccc(-c2cc(=O)c3ccc(O)c(O)c3o2)cc1- InChIKey
YPAYCZOHGRSGJS-UHFFFAOYSA-N- Summenformel
- C17H15NO4
- Durchschnittliche Molmasse
- 297,3 g/mol
Überblick
a TrkB receptor ligand for PET imaging; structure in first source
Namen und Bezeichner
- Bevorzugter Name
- 2-(4-(dimethylamino)phenyl)-7,8-dihydroxy-4H-chromen-4-one
- IUPAC
- 2-[4-(dimethylamino)phenyl]-7,8-dihydroxychromen-4-one
- Englischer Name
- 4'-DiMethylaMino 7,8-Dihydroxyflavone HydrobroMide
- Summenformel
- C17H15NO4
- Molmasse
- 297.3053
Namen und Synonyme
2-(4-(Dimethylamino)phenyl)-7,8-dihydroxy-4H-chromen-4-oneRefChem:1395911205548-04-4Eutropoflavin4'-Dimethylamino 7,8-Dihydroxyflavone1205548-00-02-[4-(dimethylamino)phenyl]-7,8-dihydroxychromen-4-oneB2M862MR4W4'-dimethylamino-7,8-dihydroxyflavone4'-DiMethylaMino 7,8-Dihydroxyflavone HydrobroMide7,8-Dihydroxy-2-(4-(dimethylamino)phenyl)-4H-chromen-4-one2-(4-(Dimethylamino)phenyl)-7,8-dihydroxy-4H-1-benzopyran-4-one
Weitere Namen anzeigen
4-DMA-7,8-DHF4-DM-7,8-DHF4'-DMA-7,8-DHF*HBr4'-DMA-7,8-DHF Free BaseN.4'-Dimethylamino78-dihydroxyflavone2-(4-(dimethylamino)phenyl)-7,8-dihydroxy-4H-chromen-4-one hydrobromide
4H-1-Benzopyran-4-one, 2-(4-(dimethylamino)phenyl)-7,8-dihydroxy-2-[4-(Dimethylamino)phenyl]-7,8-dihydroxy-4H-1-benzopyran-4-one; 2-[4-(Dimethylamino)phenyl]-7,8-dihydroxy-4H-chromen-4-one; 4'-DMA-7,8-DHF;starbld0009787UNII-B2M862MR4WSCHEMBL1847832CHEMBL1800922DTXSID901045822DB-305921
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,6
- Polarare Oberfläche (TPSA)
- 70 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 22
- Formalladung
- 0
- Komplexität
- 454
Experimentelle und physikochemische Eigenschaften
LogP3.48
Physikochemische Eigenschaften
- Schmelzpunkt
- 267.8 · 267.8-270.4 °C(Solv: dichloromethane (75-09-2); methanol (67-56-1))
- storage temp.
- Refrigerator
- Löslichkeit
- DMSO (Slightly)
- Aggregatzustand
- Solid
- Farbe
- Dark Yellow to Brown
- InChI
- InChI=1S/C17H15NO4/c1-18(2)11-5-3-10(4-6-11)15-9-14(20)12-7-8-13(19)16(21)17(12)22-15/h3-9,19,21H,1-2H3
- InChIKey
- YPAYCZOHGRSGJS-UHFFFAOYSA-N
- SMILES
- c1(O)c2OC(c3ccc(N(C)C)cc3)=CC(=O)c2ccc1O
Chemie und Industrie
Anwendungen
Verwenden4'-Dimethylamino 7,8-Dihydroxyflavone is a synthetic 7,8-Dihydroxyflavone derivative which promotes neurogenesis and exhibits potent antidepressant effect. The 7,8-dihydroxy groups are essential for the agonistic effect. 4'-Dimethylamino 7,8-Dihydroxyflavone displays higher TrkB agonistic activity than that of 7,8-Dihydroxyflavone (D452830).
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