N-[2-[[2-[[(1aS,8S,8aR,8bS)-8-[[(Aminocarbonyl)oxy]methyl]-1,1a,2,4,7,8,8a,8b-octahydro-8a-methoxy-5-methyl-4,7-dioxoazirino[2′,3′:3,4]pyrrolo[1,2-a]indol-6-yl]amino]ethyl]dithio]ethyl]-L-glutamine
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![N-[2-[[2-[[(1aS,8S,8aR,8bS)-8-[[(Aminocarbonyl)oxy]methyl]-1,1a,2,4,7,8,8a,8b-octahydro-8a-methoxy-5-methyl-4,7-dioxoazirino[2′,3′:3,4]pyrrolo[1,2-a]indol-6-yl]amino]ethyl]dithio]ethyl]-L-glutamine structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/797096dd5715473c89c14bbb86ffe103.png "N-[2-[[2-[[(1aS,8S,8aR,8bS)-8-[[(Aminocarbonyl)oxy]methyl]-1,1a,2,4,7,8,8a,8b-octahydro-8a-methoxy-5-methyl-4,7-dioxoazirino[2′,3′:3,4]pyrrolo[1,2-a]indol-6-yl]amino]ethyl]dithio]ethyl]-L-glutamine")
N-[2-[[2-[[(1aS,8S,8aR,8bS)-8-[[(Aminocarbonyl)oxy]methyl]-1,1a,2,4,7,8,8a,8b-octahydro-8a-methoxy-5-methyl-4,7-dioxoazirino[2′,3′:3,4]pyrrolo[1,2-a]indol-6-yl]amino]ethyl]dithio]ethyl]-L-glutamine
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CAS No:
118359-59-4
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Formula:
C24H34N6O8S2
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Chemical Name:
N-[2-[[2-[[(1aS,8S,8aR,8bS)-8-[[(Aminocarbonyl)oxy]methyl]-1,1a,2,4,7,8,8a,8b-octahydro-8a-methoxy-5-methyl-4,7-dioxoazirino[2′,3′:3,4]pyrrolo[1,2-a]indol-6-yl]amino]ethyl]dithio]ethyl]-L-glutamine
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Synonyms:
L-Glutamine,N-[2-[[2-[[(1aS,8S,8aR,8bS)-8-[[(aminocarbonyl)oxy]methyl]-1,1a,2,4,7,8,8a,8b-octahydro-8a-methoxy-5-methyl-4,7-dioxoazirino[2′,3′:3,4]pyrrolo[1,2-a]indol-6-yl]amino]ethyl]dithio]ethyl]-;L-Glutamine,N-[2-[[2-[[8-[[(aminocarbonyl)oxy]methyl]-1,1a,2,4,7,8,8a,8b-octahydro-8a-methoxy-5-methyl-4,7-dioxoazirino[2′,3′:3,4]pyrrolo[1,2-a]indol-6-yl]amino]ethyl]dithio]ethyl]-,[1aS-(1aα,8β,8aα,8bα)]-;Azirino[2′,3′:3,4]pyrrolo[1,2-a]indole,L-glutamine deriv.;N-[2-[[2-[[(1aS,8S,8aR,8bS)-8-[[(Aminocarbonyl)oxy]methyl]-1,1a,2,4,7,8,8a,8b-octahydro-8a-methoxy-5-methyl-4,7-dioxoazirino[2′,3′:3,4]pyrrolo[1,2-a]indol-6-yl]amino]ethyl]dithio]ethyl]-L-glutamine;KW 2149;KT 6149
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CAS No:
Description
Mitomycin C Analog KW-2149 is a semisynthetic water-soluble disulfide derivative of the antineoplastic antibiotic mitomycin C. Activated by serum and glutathione, KW-2149 causes interstrand DNA cross-links and DNA-protein cross-links, resulting in single-strand DNA breaks and inhibition of DNA synthesis. (NCI04)
N-[2-[[2-[[(1aS,8S,8aR,8bS)-8-[[(Aminocarbonyl)oxy]methyl]-1,1a,2,4,7,8,8a,8b-octahydro-8a-methoxy-5-methyl-4,7-dioxoazirino[2′,3′:3,4]pyrrolo[1,2-a]indol-6-yl]amino]ethyl]dithio]ethyl]-L-glutamine Basic Attributes
598.7 g/mol
598.69
AK8DKI0KMN
C1140
Drug Information
Chemical substances, produced by microorganisms, inhibiting or preventing the proliferation of neoplasms. (See all compounds classified as Antibiotics, Antineoplastic.)
7-N-(2-((2-(gamma-glutamylamino)ethyl)dithio)ethyl)mitomycin C
Computed Properties
Molecular Weight:598.7
XLogP3:-3.6
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:14
Rotatable Bond Count:16
Exact Mass:598.18795441
Monoisotopic Mass:598.18795441
Topological Polar Surface Area:276
Heavy Atom Count:40
Complexity:1160
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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