基本情報
- CAS
80277-11-8- 標準SMILES
CC(O)C(=O)O.COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12- InChIKey
NYGZSXVEKMITFN-UHFFFAOYSA-N- 分子式
- C24H25N3O6S
- 平均分子量
- 483.5 g/mol
- 単同位体質量
- 483.1464067
概要
Amsacrine Lactate is the lactate form of amsacrine, an aminoacridine analog and topoisomerase II inhibitor, with antineoplastic activity. Although the exact relationship between DNA binding and its activity has yet to be fully elucidated, amsacrine intercalates DNA through its acridine moiety, and its nonintercalative headgroup impedes topoisomerase II activity, augmenting enzyme-mediated DNA cleavage and resulting in DNA double-strand breaks. This ultimately induces programmed cell death.
名称と識別子
- 優先名称
- Amsacrine Lactate
- IUPAC
- N-[4-(acridin-9-ylamino)-3-methoxyphenyl]methanesulfonamide;2-hydroxypropanoic acid
- 英語名
- N-[4-(acridin-9-ylamino)-3-methoxy-phenyl]methanesulfonamide: 2-hydrox ypropanoic acid
- 分子式
- C24H25N3O6S
- 分子量
- 0
名称と別名
Amsacrine lactate80277-11-8m-AMSA lactate959PWE0Q2EUNII-959PWE0Q2EMethanesulfonamide, N-(4-(9-acridinylamino)-3-methoxyphenyl)-, mono(2-hydroxypropanoate)NSC141549RefChem:112359NSC 141549N-[4-(acridin-9-ylamino)-3-methoxy-phenyl]methanesulfonamideN-[4-(acridin-9-ylamino)-3-methoxyphenyl]methanesulfonamide;2-hydroxypropanoic acidorb1740808
名称をさらに表示
Methanesulfon-m-anisidide, 4'-(9-acridinylamino)-, compd. with lactic acidN-(4-(9-Acridinylamino)-3-methoxyphenyl)methanesulfonamide compd. with lactic acidN-[4-(acridin-9-ylamino)-3-methoxy-phenyl]methanesulfonamide: 2-hydrox ypropanoic acidPropanoic acid, 2-hydroxy-, compd. with N-(4-(9-acridinylamino)-3-methoxyphenyl)methanesulfonamide (1:1)
SCHEMBL3497923DTXSID701001137T68672Q272717692-Hydroxypropanoic acid--N-{4-[(acridin-9(10H)-ylidene)amino]-3-methoxyphenyl}methanesulfonamide (1/1)
物性
構造計算による物性
- 極性表面積
- 146 Ų
- 水素結合供与体数
- 4
- 水素結合受容体数
- 9
- 回転可能結合数
- 6
- 重原子数
- 34
- 形式電荷
- 0
- 複雑度
- 660
化学と産業
サプライヤー3 社
上海陶术生物科技股份有限公司13564774135 · [email protected]
湖北玖天生物医药科技有限公司027-88013699 17354350817 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
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