Polymyxin B1 Isoleucine (sulfate)

Polymyxin B1 isoleucine differs from polymyxin B1 by having isoleucine rather than leucine as a component of the cyclic peptide. Polymyxin B1 isoleucine is comparable to other B polymyxins in its ability to kill P. aeruginosa, A. baumannii, and K. pneumoniae isolates. Its relative pharmacokinetics and nephrotoxicity have not been examined.Formal Name: N-((S)-4-amino-1-(((2S,3R)-1-(((S)-4-amino-1-oxo-1-(((3S,6S,9S,12S,15R,18S,21S)-6,9,18-tris(2-aminoethyl)-15-benzyl-12-((S)-sec-butyl)-3-((R)-1-hydroxyethyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptaazacyclotricosan-21-yl)amino)butan-2-yl)amino)-3-hydroxy-1-oxobutan-2-yl)amino)-1-oxobutan-2-yl)-6-methyloctanamide, monosulfate. Molecular Formula: C56H98N16O13 . H2SO4. Formula Weight: 1301.6. Purity: >90%. Formulation: (Request formulation change), A crystalline solid. Solubility: PBS (pH 7.2): 0.3 mg/ml. SMILES: O=C([C@@H](NC([C@H](CCN)NC(CCCCC(C)CC)=O)=O)[C@@H](C)O)N[C@@H](CCN)C(N[C@@H](CCNC([C@@H](NC([C@@H](NC([C@H](CCN)N1)=O)CCN)=O)[C@H](O)C)=O)C(N[C@@H](CCN)C(N[C@H](CC2=CC=CC=C2)C(N[C@@H]([C@@H](C)CC)C1=O)=O)=O)=O)=O.O=S(O)(O)=O. InChi Code: InChI=1S/C56H98N16O13.H2O4S/c1-7-31(3)14-12-13-17-43(75)63-36(18-24-57)51(80)72-46(34(6)74)56(85)68-39(21-27-60)48(77)66-41-23-29-62-54(83)45(33(5)73)71-52(81)40(22-28-61)65-47(76)38(20-26-59)67-55(84)44(32(4)8-2)70-53(82)42(30-35-15-10-9-11-16-35)69-49(78)37(19-25-58)64-50(41)79,1-5(2,3)4/h9-11,15-16,31-34,36-42,44-46,73-74H,7-8,12-14,17-30,57-61H2,1-6H3,(H,62,83)(H,63,75)(H,64,79)(H,65,76)(H,66,77)(H,67,84)(H,68,85)(H,69,78)(H,70,82)(H,71,81)(H,72,80),(H2,1,2,3,4)/t31?,32-,33+,34+,36-,37-,38-,39-,40-,41-,42+,44-,45-,46-,/m0./s1. InChi Key: CTVJDEFGPKKPRM-QSEPSDMCSA-N. Origin: Bacterium/Bacillus polymyxa.