R176502

R176502

Catalog number:

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It is produced by the strain of Nocardia sp. C-15003(N-1). It has the function of anti-tumor, anti-plant pathogenic fungi, skin fungi and protozoa, and has no antibacterial activity.

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Catalog Number BBF-03361
Description R176502 is a bafilolide metabolite with potent antiproliferative activity, which is produced by Micromonospora sp. JS1035. It inhibits proliferation of MCF-7, HT-29, K562/C1000 and Malme-3M cells with IC50 values of 1.29 ± 0.35, 0.61 ± 0.04, 9.29 ± 7.35, 7.96 ± 2.75 nmol/L.
Molecular Formula C47H67NO13
Molecular Weight 854
Antibiotic Activity Spectrum neoplastics (Tumor)
Synonyms R 176502
IUPAC Name [(2R,4R,5S,6R)-6-[(1E,3E)-hexa-1,3-dienyl]-2-hydroxy-2-[(2S,3R,4S)-3-hydroxy-4-[(2R,3S,4E,6E,9S,10S,11R,12E,14Z)-10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]pentan-2-yl]-5-methyloxan-4-yl] (E)-4-[(2-hydroxy-5-oxocyclopenten-1-yl)amino]-4-oxobut-2-enoate
Canonical SMILES CCC=CC=CC1C(C(CC(O1)(C(C)C(C(C)C2C(C=CC=C(CC(C(C(C=C(C=C(C(=O)O2)OC)C)C)O)C)C)OC)O)O)OC(=O)C=CC(=O)NC3=C(CCC3=O)O)C
InChI InChI=1S/C47H67NO13/c1-11-12-13-14-17-36-31(6)39(59-41(52)22-21-40(51)48-42-34(49)19-20-35(42)50)26-47(56,61-36)33(8)44(54)32(7)45-37(57-9)18-15-16-27(2)23-29(4)43(53)30(5)24-28(3)25-38(58-10)46(55)60-45/h12-18,21-22,24-25,29-33,36-37,39,43-45,49,53-54,56H,11,19-20,23,26H2,1-10H3,(H,48,51)/b13-12+,17-14+,18-15+,22-21+,27-16+,28-24+,38-25-/t29-,30+,31+,32-,33-,36+,37-,39+,43-,44+,45+,47+/m0/s1
InChI Key JXMDVHROXKUEAM-ZBMDCPOGSA-N
Melting Point 114-120°C
Appearance Pale Brown Solid

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