CAS 11116-31-7: Bleomycin A2

Description:Bleomycin A2 is a glycopeptide antibiotic derived from the bacterium *Streptomyces verticillus*. It is primarily known for its antitumor properties and is used in the treatment of various cancers, including testicular cancer and Hodgkin's lymphoma. The compound exhibits a unique mechanism of action, which involves the induction of DNA strand breaks through the formation of free radicals upon binding to DNA. Bleomycin A2 is characterized by its complex structure, which includes a DNA-binding domain and an iron-binding moiety that facilitates its activity. It is typically administered via injection and can cause side effects such as pulmonary toxicity and skin reactions. The compound is notable for its ability to selectively target cancer cells while sparing normal tissues, although its therapeutic index can vary. Due to its specific action and side effects, careful monitoring is essential during treatment. Overall, Bleomycin A2 remains an important agent in oncological pharmacotherapy, contributing to the management of certain malignancies.

Formula:C₅₅H₈₄N₁₇O₂₁S₃

InChI: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

InChI key:InChIKey=OYVAGSVQBOHSSS-UAPAGMARSA-O

SMILES:O=C(OC1C(O)C(OC(CO)C1O)OC2C(OC(C3=CN=CN3)C(NC(=O)C4=NC(=NC(N)=C4C)C(NCC(N)C(=O)N)CC(=O)N)C(=O)NC(C)C(O)C(C(=O)NC(C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)C(O)C)C)OC(CO)C(O)C2O)N