CAS 11031-13-3

N1-[4-[[[[4-[(Aminoiminomethyl)amino]butyl]amino]iminomethyl]amino]butyl]-7,8-dihydrobleomycinamide

Description:

N1-[4-[[[[4-[(Aminoiminomethyl)amino]butyl]amino]iminomethyl]amino]butyl]-7,8-dihydrobleomycinamide, identified by the CAS number 11031-13-3, is a complex organic compound that belongs to the bleomycin family, which are glycopeptide antibiotics known for their antitumor properties. This substance features multiple amino groups, indicating a high degree of basicity and potential for forming hydrogen bonds, which may enhance its solubility in polar solvents. The presence of the bleomycin structure suggests that it may exhibit cytotoxic activity, particularly against certain types of cancer cells, by inducing DNA strand breaks. Its intricate molecular architecture may also contribute to its biological activity and specificity. As with many compounds in this class, it is essential to handle it with care due to its potential toxicity and the need for proper safety protocols in laboratory settings. Further studies would be necessary to fully elucidate its pharmacological properties and therapeutic potential.

Formula: C₆₀H₉₇N₂₃O₂₁S₂

InChI: InChI=1/C60H97N23O21S2/c1-23-36(80-49(83-47(23)63)28(15-34(62)87)75-16-27(61)48(64)93)53(97)82-38(44(29-17-69-22-76-29)102-57-46(42(91)40(89)32(18-84)101-57)103-56-43(92)45(104-60(68)99)41(90)33(19-85)100-56)54(98)77-25(3)39(88)24(2)50(94)81-37(26(4)86)52(96)71-14-9-35-78-31(21-105-35)55-79-30(20-106-55)51(95)70-10-5-7-12-73-59(67)74-13-8-6-11-72-58(65)66/h17,20,22,24-28,31-33,37-46,56-57,75,84-86,88-92H,5-16,18-19,21,61H2,1-4H3,(H2,62,87)(H2,64,93)(H2,68,99)(H,69,76)(H,70,95)(H,71,96)(H,77,98)(H,81,94)(H,82,97)(H2,63,80,83)(H4,65,66,72)(H3,67,73,74)

InChI key: InChIKey=NVEXEWYGCXIGOY-UHFFFAOYSA-N

SMILES: C(C(NC(=O)C1=NC(C(NCC(C(N)=O)N)CC(N)=O)=NC(N)=C1C)C(NC(C(C(C(NC(C(NCCC2=NC(CS2)C3=NC(C(NCCCCNC(NCCCCNC(=N)N)=N)=O)=CS3)=O)C(C)O)=O)C)O)C)=O)(OC4C(OC5C(O)C(OC(N)=O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C6=CN=CN6

Synonyms:

• Bleomycinamide, N1-[4-[[[[4-[(aminoiminomethyl)amino]butyl]amino]iminomethyl]amino]butyl]-7,8-dihydro-
• Phleomycin E
• 2-({2-[2-{[(6-amino-2-{3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl}-5-methylpyrimidin-4-yl)carbonyl]amino}-3-({5-[(1-{[2-(4-{[4-(N''-{4-[(diaminomethylidene)amino]butyl}carbamimidamido)butyl]carbamoyl}-4',5'-dihydro-2,4'-bi-1,3-thiazol-2'-yl)ethyl]amino}-3-hydroxy-1-oxobutan-2-yl)amino]-3-hydroxy-4-methyl-5-oxopentan-2-yl}amino)-1-(1H-imidazol-5-yl)-3-oxopropoxy]-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl}oxy)-3,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl carbamate (non-preferred name)
• N1-[4-[[[[4-[(Aminoiminomethyl)amino]butyl]amino]iminomethyl]amino]butyl]-7,8-dihydrobleomycinamide
• N1-[4-[[[[4-[[Aminoiminomethyl]amino]butyl]amino](imino)methyl]amino]butyl]-7,8-dihydrobleomycinamide
• phleomycin E

Phleomycin E

CAS: 11031-13-3

Phleomycin E is a peptide-based antibiotic that is effective against Gram-positive and Gram-negative bacteria as well as mycobacteria. It extends the survival time of mice with transplanted Ehrlich ascites carcinoma and shows inhibitory effects on murine pulmonary solid tumors, with an IC50 of 0.31 μg/mL.

Formula: C₆₀H₉₇N₂₃O₂₁S₂

Color and Shape: Solid

Molecular weight: 1540.68

Ref: TM-TN10260