17-α,21-Dihydroxypregna-4,9(11)-dien-3,20-dion-21-acetat

Anecortave Acetate

HCID 111332CAS 7753-60-8

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Grundinformationen

Standard-SMILES: CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3=CC[C@@]21C
InChIKey: YUWPMEXLKGOSBF-GACAOOTBSA-N
Summenformel: C23H30O5
Durchschnittliche Molmasse: 386,5 g/mol
Monoisotopische Masse: 386,20932405

Namen und Bezeichner

Bevorzugter Name: Anecortave Acetate
IUPAC: [2-[(8S,10S,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
Lokaler Name: 17-α,21-Dihydroxypregna-4,9(11)-dien-3,20-dion-21-acetat
Englischer Name: Anecortave Acetate
Summenformel: C23H30O5
Molmasse: 386.48

Namen und Synonyme

Anecortave acetate7753-60-8AL-3789Al 3789DTXSID504680517,21-Dihydroxypregna-4,9(11)-diene-3,20-dione 21-AcetateNSC-15475NSC-24345Y0PC411K4TAL3789DTXCID30268054,9(11)-pregnadien-17alpha,21-diol-3,20-dione-21-acetate

Weitere Namen anzeigen

H6AnecortavePregna-4,9(11)-diene-17-ol-3,20-dione-21-acetateNSC 15475NSC 24345Anacorta acetateAnechota acetate

2-[(1R,3aS,3bS,9aS,11aS)-1-hydroxy-9a,11a-dimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-oxoethyl acetate2-((1R,3aS,3bS,9aS,11aS)-1-hydroxy-9a,11a-dimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,11H,11aH-cyclopenta(a)phenanthren-1-yl)-2-oxoethyl acetateRefChem:558056231-812-5RetaaneAnecortave acetate [USAN]Anecortave [INN]21-(Acetyloxy)-17-hydroxypregna-4,9(11)-diene-3,20-dione

Datenbank-Bezeichner

CAS: 7753-60-8
PubChem CID: 111332
DTXSID: DTXSID5046805
ChEMBL: CHEMBL2106613
ChEBI: CHEBI:31215
UNII: Y0PC411K4T
EC Number: 231-812-5
Nikkaji: J195.929H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,1
Polarare Oberfläche (TPSA): 80,7 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 4
Schwere Atome: 28
Formalladung: 0
Komplexität: 808

Physikochemische Eigenschaften

Schmelzpunkt: 230 · 230-234°C
Siedepunkt: 551.8 · 551.8±50.0 °C(Predicted)
Dichte: 1.23 · 1.23±0.1 g/cm3(Predicted)
storage temp.: -20 °C · -20°C Freezer
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
pka: 12.47 · 12.47±0.60(Predicted)
Aggregatzustand: Solid
Farbe: Off-White to Beige
InChIKey: YUWPMEXLKGOSBF-GACAOOTBSA-N
SMILES: C1(=O)C=C2[C@](C)(CC1)C1[C@]([H])([C@@]3([H])[C@@](CC=1)(C)[C@@](O)(C(=O)COC(C)=O)CC3)CC2

Sicherheit und Regulatorisches

Sicherheitsdaten

Alarmwort: Achtung
Gefahrenhinweise: Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H303

Chemie und Industrie

Anwendungen · 2 Einträge

BeschreibungAnecortave acetate, an angiogenesis inhibitor, was launched in Australia by Alcon for the treatment of age-related macular degeneration (AMD). AMD is the leading cause of untreatable blindness among people aged 65 to 74 years in the U.S. Worldwide, approximately 20 to 25 million people suffer from AMD, a disease that until recently was untreatable. Anecortave, an angiostatic steroid, down-regulates the expression MMP-2 and -9 to exert its antiangiogenic effects.

VerwendenAs an angiostatic steroid, Anecortave Acetate can be used in treatment of macular degeneration.