Ipriflavone

YAMBOLAP · Ipriavone · Ipriflavon · 7-ISOPROPOXYISOFLAVONE · Ipriflavone (Osteofix) · 7-(1-methylethoxy)-3-phenyl-4h-1-benzopyron-4-one · tc80 · osten

https://huagongshe.com/de/chemical/3747

Identifikatoren & physikalische Daten

CAS No.	35212-22-7
Summenformel	C18H16O3
Durchschnittliche Molmasse	280,3 g/mol
Monoisotopische Masse	280,10994437 g/mol
SMILES	CC(C)Oc1ccc2c(=O)c(-c3ccccc3)coc2c1
InChIKey	SFBODOKJTYAUCM-UHFFFAOYSA-N
PubChem CID	3747
ChEMBL	CHEMBL165790
ChEBI	CHEBI:31719
EC No.	609-092-2
DTXSID	DTXSID5040679

Chemische & physikalische Eigenschaften

XLogP	4
Polarare Oberfläche (TPSA)	35,5
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	3
Frei drehbare Bindungen	3
Schwere Atome	21
Formalladung	0
Komplexität	407
Schmelzpunkt	115 - 117 °C116-120 °C(lit.)
Physical Description	Solid
Collision Cross Section	161.54 Å² [M+H]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards]175.72 Å² [M+Na]+ [CCS Type: TW155.27 Å² [M+H-H2O]+ [CCS Type: TW164.3 Å² [M+H]+ [CCS Type: TW
Siedepunkt	363.04°C (rough estimate)
Dichte	1.2170 (rough estimate)
Brechungsindex	1.4700 (estimate)
Lagerbedingungen	Sealed in dry,Room Temperature
Löslichkeit	DMF:20.0(Max Conc. mg/mL)71.35(Max Conc. mM)DMF:PBS (pH 7.2) (1:4):0.2(Max Conc. mg/mL)0.71(Max Conc. mM)DMSO:33.11(Max Conc. mg/mL)118.11(Max Conc. mM)Ethanol:1.5(Max Conc. mg/mL)5.35(Max Conc. mM)
Aggregatzustand	powder to crystal
Farbe	White to Almost white
Merck	14,5074
InChI	InChI=1S/C18H16O3/c1-12(2)21-14-8-9-15-17(10-14)20-11-16(18(15)19)13-6-4-3-5-7-13/h3-12H,1-2H3
InChIKey	SFBODOKJTYAUCM-UHFFFAOYSA-N
SMILES	C1OC2=CC(OC(C)C)=CC=C2C(=O)C=1C1=CC=CC=C1
LogP (Verteilungskoeffizient)	4.245 (est)
CAS Datenbank	35212-22-7(CAS DataBase Reference)

Sicherheit & Vorschriften

Wassergefährdungsklasse (WGK)	2
Zollcode	29329990
RTECS-Nr.	DJ3100500
R-Sätze (R)	36/37/38
Gefahrensymbole	Xi
Sicherheitshinweise (S)	24/25-36/37/39-27-26
Lagerklasse	11 - Combustible Solids

Anwendungen & Verwendung

Beschreibung

Ipriflavone, a derivative of isoflavone, is a calcium metabolism regulator useful in the treatment of primary and secondary osteoporosis, as well as disorders of osteogenesis. It appears to be without significant side-effects.

Verwenden

7-Isopropoxy-3-phenyl-4H-1-benzopyran-4-one (Ipriflavone) has been used as a model drug in a study to functionalize the mesoporous bioactive glasses (MBG). Study suggested that since ipriflavone is a hydrophobic anti-osteoporotic drug, it easily attaches to the surface of MBG and results in long-term drug delivery.