Esperamicin A1
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Esperamicin A1
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CAS No:
99674-26-7
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Formula:
C59H80N4O22S4
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Chemical Name:
Esperamicin A1
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Synonyms:
Carbamic acid,N-[(1R,4Z,8S,12S,13E)-8-[[4,6-dideoxy-2-O-[2,4-dideoxy-3-O-methyl-4-[(1-methylethyl)amino]-α-L-threo-pentopyranosyl]-4-[[(2,6-dideoxy-4-S-methyl-4-thio-β-D-ribo-hexopyranosyl)oxy]amino]-β-D-glucopyranosyl]oxy]-12-[[2,6-dideoxy-3-O-[4,5-dimethoxy-2-[(2-methoxy-1-oxo-2-propen-1-yl)amino]benzoyl]-α-L-lyxo-hexopyranosyl]oxy]-1-hydroxy-13-[2-(methyltrithio)ethylidene]-11-oxobicyclo[7.3.1]trideca-4,9-diene-2,6-diyn-10-yl]-,methyl ester;Benzoic acid,4,5-dimethoxy-2-[(2-methoxy-1-oxo-2-propenyl)amino]-,3′(12)-ester with methyl [8-[[4,6-dideoxy-2-O-[2,4-dideoxy-3-O-methyl-4-[(1-methylethyl)amino]-α-L-threo-pentopyranosyl]-4-[[(2,6-dideoxy-4-S-methyl-4-thio-β-D-ribo-hexopyranosyl)oxy]amino]-β-D-glucopyranosyl]oxy]-12-[(2,6-dideoxy-α-L-lyxo-hexopyranosyl)oxy]-1-hydroxy-13-[2-(methyltrithio)ethylidene]-11-oxobicyclo[7.3.1]trideca-4,9-diene-2,6-diyn-10-yl]carbamate,[1R-(1R*,4Z,8S*,12S*,13E)]-;Carbamic acid,[8-[[4,6-dideoxy-2-O-[2,4-dideoxy-3-O-methyl-4-[(1-methylethyl)amino]-α-L-threo-pentopyranosyl]-4-[[(2,6-dideoxy-4-S-methyl-4-thio-β-D-ribo-hexopyranosyl)oxy]amino]-β-D-glucopyranosyl]oxy]-12-[[2,6-dideoxy-3-O-[4,5-dimethoxy-2-[(2-methoxy-1-oxo-2-propenyl)amino]benzoyl]-α-L-lyxo-hexopyranosyl]oxy]-1-hydroxy-13-[2-(methyltrithio)ethylidene]-11-oxobicyclo[7.3.1]trideca-4,9-diene-2,6-diyn-10-yl]-,methyl ester,(1R,4Z,8S,12S,13E)-;Esperamicin A1;BMY 28175;154562-77-3
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CAS No:
Description
ChEBI: A naturally occurring antibiotic and antitumor agent isolated from Actinomadura verrucosopora. Its chemical structure consists of a core bicyclo[7.3.1]tridecadiynene moiety containing a 1,5-diyn-3-ene as part of a ten-membered ring, a lpha,beta-unsaturated ketone with a bridgehead double bond and an attached allylic trisulfide. This ring system is attached at one end by a trisaccharide moiety and at the opposite end by a 2-deoxy-L-fucose-anthra ilate moiety. The trisaccharide consist
Esperamicin A1 is a naturally occurring antibiotic and antitumor agent isolated from Actinomadura verrucosopora. Its chemical structure consists of a core bicyclo[7.3.1]tridecadiynene moiety containing a 1,5-diyn-3-ene as part of a ten-membered ring, a alpha,beta-unsaturated ketone with a bridgehead double bond and an attached allylic trisulfide. This ring system is attached at one end by a trisaccharide moiety and at the opposite end by a 2-deoxy-L-fucose-anthranilate moiety. The trisaccharide consists of a hydroxyamino sugar which is connected to a isopropylamino sugar through a glycosidic linkage and a thiomethyl sugar through an NH-O linkage. It has a role as an antineoplastic agent and an alkylating agent.
Drug Information
Highly reactive chemicals that introduce alkyl radicals into biologically active molecules and thereby prevent their proper functioning. Many are used as antineoplastic agents, but most are very toxic, with carcinogenic, mutagenic, teratogenic, and immunosuppressant actions. They have also been used as components in poison gases. (See all compounds classified as Alkylating Agents.)|Chemical substances, produced by microorganisms, inhibiting or preventing the proliferation of neoplasms. (See all compounds classified as Antibiotics, Antineoplastic.)
BBM 1675A
Computed Properties
Molecular Weight:1325.5
XLogP3:3.2
Hydrogen Bond Donor Count:8
Hydrogen Bond Acceptor Count:28
Rotatable Bond Count:27
Exact Mass:1324.41470489
Monoisotopic Mass:1324.41470489
Topological Polar Surface Area:428
Heavy Atom Count:89
Complexity:2700
Defined Atom Stereocenter Count:19
Defined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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