Bleomycin A2
[CAS# 11116-31-7]

Identification

• Name: Bleomycin A2
• Synonyms: 3-[[2-[2-[2-[[(2S,3R)-2-[[(2S,3S,4R)-4-[[(2S,3R)-2-[[6-Amino-2-[(1S)-3-Amino-1-[[(2S)-2,3-Diamino-3-Oxo-Propyl]Amino]-3-Oxo-Propyl]-5-Methyl-Pyrimidine-4-Carbonyl]Amino]-3-[(2R,3S,4S,5S,6S)-3-[(2R,3S,4S,5R,6R)-4-Carbamoyloxy-3,5-Dihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-4,5-Dihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-3-(3H-Imidazol-4-Yl)Propanoyl]Amino]-3-Hydroxy-2-Methyl-Pentanoyl]Amino]-3-Hydroxy-Butanoyl]Amino]Ethyl]Thiazol-4-Yl]Thiazole-4-Carbonyl]Amino]Propyl-Dimethyl-Sulfonium; 3-[[2-[2-[2-[[(2S,3R)-2-[[(2S,3S,4R)-4-[[(2S,3R)-2-[[6-Amino-2-[(1S)-3-Amino-1-[[(2S)-2,3-Diamino-3-Keto-Propyl]Amino]-3-Keto-Propyl]-5-Methyl-Pyrimidine-4-Carbonyl]Amino]-3-[(2R,3S,4S,5S,6S)-3-[(2R,3S,4S,5R,6R)-4-Carbamoyloxy-3,5-Dihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-4,5-Dihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-3-(3H-Imidazol-4-Yl)Propanoyl]Amino]-3-Hydroxy-2-Methyl-Pentanoyl]Amino]-3-Hydroxy-Butanoyl]Amino]Ethyl]Thiazol-4-Yl]Thiazole-4-Carbonyl]Amino]Propyl-Dimethyl-Sulfonium; 3-[[2-[2-[2-[[(2S,3R)-2-[[(2S,3S,4R)-4-[[(2S,3R)-2-[[6-Amino-2-[(1S)-3-Amino-1-[[(2S)-2,3-Diamino-3-Oxo-Propyl]Amino]-3-Oxo-Propyl]-5-Methyl-Pyrimidin-4-Yl]Carbonylamino]-3-[(2R,3S,4S,5S,6S)-3-[(2R,3S,4S,5R,6R)-4-Aminocarbonyloxy-3,5-Dihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxy-4,5-Dihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxy-3-(3H-Imidazol-4-Yl)Propanoyl]Amino]-3-Hydroxy-2-Methyl-Pentanoyl]Amino]-3-Hydroxy-Butanoyl]Amino]Ethyl]-1,3-Thiazol-4-Yl]-1,3-Thiazol-4-Yl]Carbonylamino]Propyl-Dimethyl-Sulfanium
• Molecular Formula: C₅₅H₈₄N₁₇O₂₁S₃
• Molecular Weight: 1415.55
• CAS Registry Number: 11116-31-7
• EINECS: 234-356-5
• SMILES: [C@@H]1([C@@H]([C@@H]([C@@H](O[C@H]1CO)O[C@@H](C2=CN=C[NH]2)[C@H](NC(C3=NC(=NC(=C3C)N)[C@H](CC(N)=O)NC[C@@H](C(N)=O)N)=O)C(=O)N[C@@H]([C@H]([C@H](C)C(N[C@H](C(NCCC4=NC(=CS4)C5=NC(=CS5)C(NCCC[S+](C)C)=O)=O)[C@H](O)C)=O)O)C)O[C@@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO)O)OC(=O)N)O)O)O
• InChI: 1S/C55H83N17O21S3/c1-20-33(69-46(72-44(20)58)25(12-31(57)76)64-13-24(56)45(59)82)50(86)71-35(41(26-14-61-19-65-26)91-54-43(39(80)37(78)29(15-73)90-54)92-53-40(81)42(93-55(60)88)38(79)30(16-74)89-53)51(87)66-22(3)36(77)21(2)47(83)70-34(23(4)75)49(85)63-10-8-32-67-28(18-94-32)52-68-27(17-95-52)48(84)62-9-7-11-96(5)6/h14,17-19,21-25,29-30,34-43,53-54,64,73-75,77-81H,7-13,15-16,56H2,1-6H3,(H13-,57,58,59,60,61,62,63,65,66,69,70,71,72,76,82,83,84,85,86,87,88)/p+1/t21-,22+,23+,24-,25-,29-,30+,34-,35-,36-,37+,38+,39-,40-,41-,42-,43-,53+,54-/m0/s1
• InChIKey: OYVAGSVQBOHSSS-UAPAGMARSA-O

References

• (1): Mithun Roy, Tuhin Bhowmick, Suryanarayanarao Ramakumar, Munirathinam Nethaji and Akhil R. Chakravarty. Double-strand DNA cleavage from photodecarboxylation of (μ-oxo)diiron(iii) l-histidine complex in visible light, Dalton Trans., 2008, 3542.