IB-96212

IB-96212 is a macrolide that has been found in Micromonospora and has antibacterial and anticancer activities. It is active against M. luteus, B. subtilis, and S. aureus (MICs = 0.4, 100, and 100 µg/ml, respectively). IB-96212 induces death in P388 leukemia, A549 lung cancer, HT-29 colon cancer, and SK-MEL-28 melanoma cells (IC50s = 0.0001, 1, 1, and 1 µg/ml, respectively).Formal Name: (4E,18E,20E)-3',4',5',6'-tetrahydro-7,9,11,12,13,14,15-heptahydroxy-6'-(2-hydroxy-1-methylbutyl)-22-(2-hydroxypropyl)-5',6,8,16,28,29-hexamethyl-14-propyl-10-[(tetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl)oxy]-spiro[2,26-dioxabicyclo[23.3.1]nonacosa-4,18,20-triene-27,2'-[2H]pyran]-3-one. CAS Number: 220858-11-7. Molecular Formula: C54H94O16. Formula Weight: 999.3. Purity: >70%. Formulation: (Request formulation change), A solid. Solubility: Dichloromethane: soluble, DMSO: soluble, Ethanol: soluble, Methanol: soluble. SMILES: CC1C(O)CCC(OC(C(O)C(C(O)C(CCC)(O)C(O)C(C)C/C=C\C=C\C(CC(C)O)CCC(OC2(OC(C(C)C(O)CC)C(C)CC2)C3C)([H])C(C)C3([H])O4)O)C(C(C(O)C(C)/C=C/C4=O)C)O)O1. InChi Code: InChI=1S/C54H94O16/c1-12-26-53(65)51(63)31(5)17-15-14-16-18-38(28-32(6)55)20-22-41-34(8)49(36(10)54(69-41)27-25-30(4)48(70-54)33(7)39(56)13-2)67-42(58)23-19-29(3)44(59)35(9)45(60)50(46(61)47(62)52(53)64)68-43-24-21-40(57)37(11)66-43/h14-16,18-19,23,29-41,43-52,55-57,59-65H,12-13,17,20-22,24-28H2,1-11H3/b15-14-,18-16+,23-19+. InChi Key: ZJMNECRCNSUGSV-BFNXMDKUSA-N. Origin: Bacterium/Micromonospora sediminimaris.