基本情報
- CAS
115308-98-0- 標準SMILES
Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4ccc(N(CCCl)CCCl)cc4)cn3C)cn2C)cc1C(=O)NCCC(=N)N- InChIKey
ARKYUICTMUZVEW-UHFFFAOYSA-N- 分子式
- C32H38Cl2N10O4
- 平均分子量
- 697.6 g/mol
- 単同位体質量
- 696.2454551
概要
Tallimustine, a benzoyl mustard derivative of distamycin A, is an alkylating agent that binds to the minor groove of DNA. It's association with severe myelotoxicity lead to the end of its development in favour of α-halogenoacrylamide derivatives such as [brostallicin], which have a favourable cytotoxicity/myelotoxicity ratio. Newer generations of DNA minor groove binding agents can more specifically recognize base pair sequences.
名称と識別子
- 優先名称
- Tallimustine
- IUPAC
- N-[5-[[5-[(3-amino-3-iminopropyl)carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-4-[[4-[bis(2-chloroethyl)amino]benzoyl]amino]-1-methylpyrrole-2-carboxamide
- 現地名
- タリムスチン
- 英語名
- Tallimustine
- 分子式
- C32H38Cl2N10O4
- 分子量
- 697.61
名称と別名
Tallimustine115308-98-0talimustinaFce 2451771193OXG6SDTXSID401510451H-Pyrrole-2-carboxamide, N-(5-(((3-amino-3-iminopropyl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-4-(((4-((4-(bis(2-chloroethyl)amino)benzoyl)amino)-1-methyl-1H-pyrrol-2-yl)carbonyl)amino)-1-methyl-PNU-152241tallimustinumRefChem:187315DTXCID0073536N-deformyl-N-(4-N-N,N-bis(2-choroethylamino)benzoyl)distamycin
名称をさらに表示
タルリムスチンタリムスチンN-[5-[[(3-アミノ-3-イミノプロピル)アミノ]カルボニル]-1-メチル-1H-ピロール-3-イル]-4-[[[4-[[4-[ビス(2-クロロエチル)アミノ]ベンゾイル]アミノ]-1-メチル-1H-ピロール-2-イル]カルボニル]アミノ]-1-メチル-1H-ピロール-2-カルボアミド4-[4-(4-{4-[ビス(2-クロロエチル)アミノ]ベンズアミド}-1-メチル-1H-ピロール-2-アミド)-1-メチル-1H-ピロール-2-アミド]-N-(2-カルバムイミドイルエチル)-1-メチル-1H-ピロール-2-カルボキサミドN-[5-[[(3-アミノ-3-イミノプロピル)アミノ]カルボニル]-1-メチル-1H-ピロール-3-イル]-4-[[[4-[4-[ビス(2-クロロエチル)アミノ]ベンゾイルアミノ]-1-メチル-1H-ピロール-2-イル]カルボニル]アミノ]-1-メチル-1H-ピロール-2-カルボアミドFCE-24517TalimustineTallimustine USP/EP/BPTallimustineTallimustine
物性
構造計算による物性
- XLogP
- 1.2
- 極性表面積
- 184 Ų
- 水素結合供与体数
- 6
- 水素結合受容体数
- 6
- 回転可能結合数
- 15
- 重原子数
- 48
- 形式電荷
- 0
- 複雑度
- 1,140
化学と産業
薬理情報
Mechanism of Action
Tallimustine binds to the minor groove of DNA while avoiding targets like glutathione. Currently, the mechanism of DNA minor groove binding agents is poorly understood. Though, they may act by directly inhibiting the interaction of protein and DNA.
MeSH Pharmacological Classification
Substances that inhibit or prevent the proliferation of NEOPLASMS.
A class of drugs that differs from other alkylating agents used clinically in that they are monofunctional and thus unable to cross-link cellular macromolecules. Among their common properties are a requirement for metabolic activation to intermediates with antitumor efficacy and the presence in their chemical structures of N-methyl groups, that after metabolism, can covalently modify cellular DNA. The precise mechanisms by which each of these drugs acts to kill tumor cells are not completely understood. (From AMA, Drug Evaluations Annual, 1994, p2026)
サプライヤー5 社
湖北扬信医药科技有限公司0714-3999001 19171453112 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
陕西缔都医药有限责任公司81148925 17391631969 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Dideu Industries Group Limited+86-29-81148696 +86-15129568250 · [email protected]
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