Berubicin Hydrochloride
Grundinformationen
- CAS
293736-67-1- Standard-SMILES
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@H](OCc2ccccc2)[C@H](C)O1.Cl- InChIKey
GPMIHHFZKBVWAZ-LMMKTYIZSA-N- Summenformel
- C34H36ClNO11
- Durchschnittliche Molmasse
- 670,1 g/mol
- Monoisotopische Masse
- 669,1976887
Überblick
RTA 744 is a novel anthracycline derivative that crosses the blood-brain barrier and shows significant potential for the treatment of primary and metastatic brain cancers. Anthracyclines are one of the most broadly used and effective classes of cancer therapies; however, they are not used to treat brain cancers because current therapies do not cross the blood-brain barrier.
Namen und Bezeichner
- Bevorzugter Name
- Berubicin Hydrochloride
- IUPAC
- (7S,9S)-7-[(2R,4S,5S,6S)-4-amino-6-methyl-5-phenylmethoxyoxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride
- Englischer Name
- Berubicin hydrochloride
- Summenformel
- C34H35NO11.
- Molmasse
- 670.11
Namen und Synonyme
Berubicin hydrochlorideBerubicin HCl293736-67-1RTA 744WP744Berubicin hydrochloride [USAN]UNII-7BA3X03948RTA-7447BA3X03948Berubicin hydrochloride (USAN)BERUBICIN HYDROCHLORIDE [WHO-DD](8S,10S)-10-(((2R,4S,5S,6S)-4-AMINO-5-(BENZYLOXY)-6-METHYLTETRAHYDRO-2H-PYRAN-2-YL)OXY)-8-GLYCOLOYL-6,8,11-TRIHYDROXY-1-METHOXY-7,8,9,10-TETRAHYDROTETRACENE-5,12-DIONE HYDROCHLORIDE
Weitere Namen anzeigen
5,12-NAPHTHACENEDIONE, 10-((3-AMINO-2,3,6-TRIDEOXY-4-O-(PHENYLMETHYL)-.ALPHA.-L-LYXO-HEXOPYRANOSYL)OXY)-7,8,9,10-TETRAHYDRO-6,8,11-TRIHYDROXY-8-(HYDROXYACETYL)-1-METHOXY-, (8S,10S)-, HYDROCHLORIDERefChem:119103topoisomerase II inhibitor RTA 744(8S,10S)-10-((3-amino-4-O-benzyl-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione Hydrochloride5,12-NAPHTHACENEDIONE, 10-((3-AMINO-2,3,6-TRIDEOXY-4-O-(PHENYLMETHYL)-ALPHA-L-LYXO-HEXOPYRANOSYL)OXY)-7,8,9,10-TETRAHYDRO-6,8,11-TRIHYDROXY-8-(HYDROXYACETYL)-1-METHOXY-, (8S,10S)-, HYDROCHLORIDEBerubicin (hydrochloride)WP-744(7S,9S)-7-[(2R,4S,5S,6S)-4-amino-6-methyl-5-phenylmethoxyoxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 195 Ų
- H-Brücken-Donoren
- 6
- H-Brücken-Akzeptoren
- 12
- Frei drehbare Bindungen
- 8
- Schwere Atome
- 47
- Formalladung
- 0
- Komplexität
- 1.130
Physikochemische Eigenschaften
- Aggregatzustand
- Solid
- Farbe
- Brown to red
Chemie und Industrie
Pharmakologische Informationen
Mechanism of Action
RTA 744 is a substance being studied in the treatment of adult brain tumors. RTA 744 crosses the blood-brain barrier and blocks an enzyme needed for cancer growth. RTA 744 is a type of topoisomerase inhibitor. Also called topoisomerase II inhibitor RTA 744.
Anbieter3 Anbieter
BOC Sciences16314854226; +8616314854226 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
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