基本情報
- CAS
293736-67-1- 標準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- 分子式
- C34H36ClNO11
- 平均分子量
- 670.1 g/mol
- 単同位体質量
- 669.1976887
概要
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.
名称と識別子
- 優先名称
- 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
- 英語名
- Berubicin hydrochloride
- 分子式
- C34H35NO11.
- 分子量
- 670.11
名称と別名
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
名称をさらに表示
ベルビシン塩酸塩
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
データベース識別子
- CAS
293736-67-1- PubChem CID
- 9874591
- DTXSID
DTXSID10951913- ChEMBL
CHEMBL2103796- UNII
- 7BA3X03948
物性
構造計算による物性
- 極性表面積
- 195 Ų
- 水素結合供与体数
- 6
- 水素結合受容体数
- 12
- 回転可能結合数
- 8
- 重原子数
- 47
- 形式電荷
- 0
- 複雑度
- 1,130
物理化学的性質
- 外見
- Solid
- 色
- Brown to red
化学と産業
薬理情報
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.
サプライヤー3 社
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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