Ladirubicin
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Ladirubicin
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CAS No:
171047-47-5
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Formula:
C29H31NO11S
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Chemical Name:
Ladirubicin
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Synonyms:
5,12-Naphthacenedione,9-acetyl-7-[[3-(1-aziridinyl)-2,3,6-trideoxy-4-O-(methylsulfonyl)-α-L-lyxo-hexopyranosyl]oxy]-7,8,9,10-tetrahydro-6,9,11-trihydroxy-,(7S,9S)-;5,12-Naphthacenedione,9-acetyl-7-[[3-(1-aziridinyl)-2,3,6-trideoxy-4-O-(methylsulfonyl)-α-L-lyxo-hexopyranosyl]oxy]-7,8,9,10-tetrahydro-6,9,11-trihydroxy-,(7S-cis)-;(7S,9S)-9-Acetyl-7-[[3-(1-aziridinyl)-2,3,6-trideoxy-4-O-(methylsulfonyl)-α-L-lyxo-hexopyranosyl]oxy]-7,8,9,10-tetrahydro-6,9,11-trihydroxy-5,12-naphthacenedione;FCE 28729;PNU 159548;Ladirubicin
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CAS No:
Description
Ladirubicin is a 4-demethoxydaunorubicin (idarubicin) analog with an aziridinyl group in position C-3' and a methylsulphonyl on position C-4', with potential antineoplastic activity. Upon intravenous administration, ladirubicin alkylates guanine residues at the N7 position in the DNA major groove, resulting in DNA base pair mismatching, DNA interstrand crosslinking, the inhibition of DNA repair and synthesis, cell-cycle arrest, and apoptosis.
Computed Properties
Molecular Weight:601.6
XLogP3:2.7
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:6
Exact Mass:601.16178198
Monoisotopic Mass:601.16178198
Topological Polar Surface Area:185
Heavy Atom Count:42
Complexity:1220
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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