2-[4-formyl-3-methyl-N-(2-methylsulfonyloxyethyl)anilino]ethyl methanesulfonate
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![2-[4-formyl-3-methyl-N-(2-methylsulfonyloxyethyl)anilino]ethyl methanesulfonate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/286a2feb9d1147ceb41a04e0a7490efa.png "2-[4-formyl-3-methyl-N-(2-methylsulfonyloxyethyl)anilino]ethyl methanesulfonate")
2-[4-formyl-3-methyl-N-(2-methylsulfonyloxyethyl)anilino]ethyl methanesulfonate
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CAS No:
56967-08-9
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Formula:
C14H21NO7S2
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Chemical Name:
2-[4-formyl-3-methyl-N-(2-methylsulfonyloxyethyl)anilino]ethyl methanesulfonate
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Synonyms:
4-(bis(2-((methylsulfonyl)oxy)ethyl)amino)-2-methylbenzaldehyde;DMS612;NSC 281612;NSC-281612;NSC281612;Dimethane sulfonate;UNII-96B0BRI1JU;DMS-612;56967-08-9;NSC-281612;96B0BRI1JU;Benzaldehyde, 4-[bis[2-[(methylsulfonyl)oxy]ethyl]amino]-2-methyl-;Benzaldehyde, 4-(bis(2-((methylsulfonyl)oxy)ethyl)amino)-2-methyl-;DMS612;DMS 612;NSC281612;NSC 281612;SCHEMBL1298904;CHEMBL1992975;DTXSID60205539;ZINC1563988;2-[4-formyl-3-methyl-N-(2-methylsulfonyloxyethyl)anilino]ethyl methanesulfonate;NCI60_002292;Q27271898;4-[bis[2-[(methylsulfonyl)-oxy]ethyl]amino]-2-methyl-benzaldehyde
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CAS No:
Description
Benzaldehyde Dimethane Sulfonate is a dimethane sulfonate derivative and alkylating agent with a structure similar to other alkylating agents such as chlorambucil, busulfan and melphalan, with potential antineoplastic activity. Although the exact mechanism of action has yet to be fully elucidated, benzaldehyde dimethane sulfonate alkylates DNA, which results in DNA double strand breaks, inhibition of DNA replication, cell cycle arrest and cell death. In addition, this agent is metabolized by the enzyme aldehyde dehydrogenase (ALDH) into the active carboxylic acid metabolite benzoic acid dimethane sulfonate (BA), which further contributes to its alkylating activity. Unlike other alkylating agents, benzaldehyde dimethane sulfonate has demonstrated antitumor activity in renal cell carcinoma.
2-[4-formyl-3-methyl-N-(2-methylsulfonyloxyethyl)anilino]ethyl methanesulfonate Basic Attributes
379.5 g/mol
379.07594436 g/mol
96B0BRI1JU
281612
DTXSID60205539
C107164
Computed Properties
Molecular Weight:379.5
XLogP3:0.7
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:10
Exact Mass:379.07594436
Monoisotopic Mass:379.07594436
Topological Polar Surface Area:124
Heavy Atom Count:24
Complexity:554
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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