基本情報
- CAS
145124-30-7- 標準SMILES
CS(=O)(=O)O.CS(=O)(=O)O.C[C@H](CNCCNC[C@@H](C)N1C(=O)c2cccc3cc([N+](=O)[O-])cc(c23)C1=O)N1C(=O)c2cccc3cc([N+](=O)[O-])cc(c23)C1=O- InChIKey
KPQJSSLKKBKWEW-RKDOVGOJSA-N- 分子式
- C34H36N6O14S2
- 平均分子量
- 816.8 g/mol
- 単同位体質量
- 816.17309219
概要
Bisnafide Dimesylate is the dimesylate salt form of bisnafide, a bis-naphthalimide compound with anticancer activity. Bisnafide selectively intercalates guanine-cytosine (GC) rich regions of DNA, thereby interfering with DNA replication machinery and activity of topoisomerase II. As a result, this agent causes potent cytotoxicity.
名称と識別子
- 優先名称
- Bisnafide Dimesylate
- IUPAC
- methanesulfonic acid;5-nitro-2-[(2R)-1-[2-[[(2R)-2-(5-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)propyl]amino]ethylamino]propan-2-yl]benzo[de]isoquinoline-1,3-dione
名称と別名
BISNAFIDE DIMESYLATE145124-30-7Bisnafide dimesilateDMP-840VersalumaJ30IBO0LMADTXSID901628831H-Benz(de)isoquinoline-1,3(2H)-dione, 2,2'-(1,2-ethanediylbis(imino(1-methyl-2,1-ethanediyl)))bis(5-nitro-, (R-(R*,R*))-, dimethanesulfonateRefChem:1080029DTXCID5085374Bisnafide mesylateDmp 840
名称をさらに表示
Bisnafide dimesylate [USAN]NSC-D640430N,N'-(Ethylenebis(imino((R)-1-methylethylene)))bis(3-nitronaphthalimide)dimethanesulfonateBisnafide dimesylate (USAN)methanesulfonic acid;5-nitro-2-[(2R)-1-[2-[[(2R)-2-(5-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)propyl]amino]ethylamino]propan-2-yl]benzo[de]isoquinoline-1,3-dione(R,R)-2,2'-(1,2-ethanediylbis(imino(1-methyl-2,1-ethanediyl)))-bis(5-nitro-1H-benz(de)isoquinolone-1,3-(2H)-dione)dimethanesulfonateUNII-J30IBO0LMABisnafide mesilate
データベース識別子
- CAS
145124-30-7- PubChem CID
- 60916
- DTXSID
DTXSID90162883- ChEMBL
CHEMBL46803- UNII
- J30IBO0LMA
物性
構造計算による物性
- 極性表面積
- 316 Ų
- 水素結合供与体数
- 4
- 水素結合受容体数
- 16
- 回転可能結合数
- 9
- 重原子数
- 56
- 形式電荷
- 0
- 複雑度
- 1,250
関連反応
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