(6aR,12aR,12bS)-1,3,4,4a,5,6,6a,12,12a,12b-Decahydro-10-hydroxy-4,4,6a,12b-tetramethyl-2H-benzo[a]xanthene-8,11-dione
Grundinformationen
- CAS
1258005-85-4- Standard-SMILES
CC1(C)CCC[C@@]2(C)C1CC[C@@]1(C)OC3=C(C[C@@H]12)C(=O)C(O)=CC3=O- InChIKey
ZPPISMQVWKUDLY-IUDNQCFTSA-N- Summenformel
- C21H28O4
- Durchschnittliche Molmasse
- 344,4 g/mol
Namen und Bezeichner
- Bevorzugter Name
- (6aR,12aR,12bS)-1,3,4,4a,5,6,6a,12,12a,12b-Decahydro-10-hydroxy-4,4,6a,12b-tetramethyl-2H-benzo[a]xanthene-8,11-dione
- IUPAC
- (6aR,12aR,12bS)-10-hydroxy-4,4,6a,12b-tetramethyl-1,2,3,4a,5,6,12,12a-octahydrobenzo[a]xanthene-8,11-dione
- Englischer Name
- Ceramide Kinase Inhibitor, K1
- Summenformel
- C21H28O4
- Molmasse
- 344.44
Namen und Synonyme
1258005-85-4(6aR,12aR,12bS)-1,3,4,4a,5,6,6a,12,12a,12b-Decahydro-10-hydroxy-4,4,6a,12b-tetramethyl-2H-benzo[a]xanthene-8,11-dioneCeramide Kinase Inhibitor, K1(6aR,12aR,12bS)-10-hydroxy-4,4,6a,12b-tetramethyl-1,2,3,4a,5,6,12,12a-octahydrobenzo[a]xanthene-8,11-dione2H-Benzo[a]xanthene-8,11-dione, 1,3,4,4a,5,6,6a,12,12a,12b-decahydro-10-hydroxy-4,4,6a,12b-tetramethyl-, (6aR,12aR,12bS)-
Datenbank-Bezeichner
- CAS
1258005-85-4
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,6
- Polarare Oberfläche (TPSA)
- 63,6 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 25
- Formalladung
- 0
- Komplexität
- 728
Physikochemische Eigenschaften
- Siedepunkt
- 456.8 · 456.8±45.0 °C(Predicted)
- Dichte
- 1.21 · 1.21±0.1 g/cm3(Predicted)
- pka
- 4.5 · 4.50±1.00(Predicted)
Chemie und Industrie
Anwendungen
Verwenden(6aR,12aR,12bS)-1,3,4,4a,5,6,6a,12,12a,12b-Decahydro-10-hydroxy-4,4,6a,12b-tetramethyl-2H-benzo[a]xanthene-8,11-dione is an analog of (4aS,6aS,12aR,12bS)-1,3,4,4a,5,6,6a,12,12a,12b-Decahydro-9-(hydroxymethyl)-4,4,6a,12b-tetramethyl-2H-benzo[a]xanthene-8,11-dione (BE 40644) which is a new human thioredoxin system inhibitor. Be 40644 shows the ability to inhibit the growth of several cancer cell lines.
Anbieter5 Anbieter
西安华瑞致远生物科技有限公司18112972000 · [email protected]
VDM Biochemicals0330-2528181 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
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