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Polymyxin B1

Polymyxin B1 is a cationic lipopeptide that exhibits strong affinity for lipid bilayers through hydrophobic-electrostatic complementarity. Its cyclic and linear domains generate a rigid yet amphipathic scaffold. Researchers study its membrane-disruption mechanisms and binding thermodynamics. Applications include antimicrobial-peptide modeling, lipid-interaction studies, and sequence-activity profiling.

Designed for biological research and industrial applications, not intended for individual clinical or medical purposes.
Polymyxin B1(CAS 4135-11-9)

CAT No: R2569

CAS No:4135-11-9

Synonyms/Alias:4135-11-9;UNII-B35S89JSRU;B35S89JSRU;(6S)-N-[(2S)-4-amino-1-[[(2S,3R)-1-[[(2S)-4-amino-1-oxo-1-[[(3S,6S,9S,12S,15R,18S,21S)-6,9,18-tris(2-aminoethyl)-15-benzyl-3-[(1R)-1-hydroxyethyl]-12-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]butan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]-6-methyloctanamide;CHEMBL2397513;BRN 0505906;L-THREONINE, N2-(6-METHYL-1-OXOOCTYL)-L-2,4-DIAMINOBUTANOYL-L-THREONYL-L-2,4-DIAMINOBUTANOYL-L-2,4-DIAMINOBUTANOYL-L-2,4-DIAMINOBUTANOYL-D-PHENYLALANYL-L-LEUCYL-L-2,4-DIAMINOBUTANOYL-L-2,4-DIAMINOBUTANOYL-, CYCLIC (10->4)-PEPTIDE;N2-(6-METHYL-1-OXOOCTYL)-L-2,4-DIAMINOBUTANOYL-L-THREONYL-L-2,4-DIAMINOBUTANOYL-L-2,4-DIAMINOBUTANOYL-L-2,4-DIAMINOBUTANOYL-D-PHENYLALANYL-L-LEUCYL-L-2,4-DIAMINOBUTANOYL-L-2,4-DIAMINOBUTANOYL-L-THREONINE CYCLIC (10->4)-PEPTIDE;CHEBI:8309;DTXSID80858844;DTXCID1028441;SCHEMBL14241069;HY-A0248A;BDBM50548037;MS-32043;CS-0019929;(S)-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-3-((R)-1-hydroxyethyl)-12-isobutyl-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptaazacyclotricosan-21-yl)amino)butan-2-yl)amino;

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M.F/Formula
C56H98N16O13
M.W/Mr.
1203.5
InChI
InChI=1S/C56H98N16O13/c1-7-32(4)13-11-12-16-44(75)63-36(17-23-57)51(80)72-46(34(6)74)56(85)68-39(20-26-60)48(77)67-41-22-28-62-55(84)45(33(5)73)71-52(81)40(21-27-61)65-47(76)37(18-24-58)66-53(82)42(29-31(2)3)69-54(83)43(30-35-14-9-8-10-15-35)70-49(78)38(19-25-59)64-50(41)79/h8-10,14-15,31-34,36-43,45-46,73-74H,7,11-13,16-30,57-61H2,1-6H3,(H,62,84)(H,63,75)(H,64,79)(H,65,76)(H,66,82)(H,67,77)(H,68,85)(H,69,83)(H,70,78)(H,71,81)(H,72,80)/t32-,33+,34+,36-,37-,38-,39-,40-,41-,42-,43+,45-,46-/m0/s1
InChI Key
WQVJHHACXVLGBL-CTMZAJDNSA-N

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