Synonym
Deacylpolymyxin B; DeacylpolymyxinB; Deacylpolymyxin-B.
IUPAC/Chemical Name
(S)-2,4-diamino-N-((2R,3S)-1-(((S)-4-amino-1-oxo-1-(((3S,6R,9R,12S,15R,18R,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)-3-hydroxy-1-oxobutan-2-yl)butanamide
InChi Key
RCCHKUZHMOHRGB-YEQOEVHESA-N
InChi Code
InChI=1S/C47H82N16O12/c1-24(2)22-34-44(72)57-29(11-17-49)39(67)56-32(14-20-52)43(71)63-36(25(3)64)46(74)54-21-15-33(58-40(68)31(13-19-51)59-47(75)37(26(4)65)62-38(66)28(53)10-16-48)42(70)55-30(12-18-50)41(69)61-35(45(73)60-34)23-27-8-6-5-7-9-27/h5-9,24-26,28-37,64-65H,10-23,48-53H2,1-4H3,(H,54,74)(H,55,70)(H,56,67)(H,57,72)(H,58,68)(H,59,75)(H,60,73)(H,61,69)(H,62,66)(H,63,71)/t25-,26+,28+,29-,30-,31+,32-,33+,34+,35-,36+,37-/m1/s1
SMILES Code
O[C@@H]([C@@H]1NC(=O)[C@@H](CCN)NC(=O)[C@@H](CCN)NC(=O)[C@@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CCN)NC([C@@H](NC([C@@H](NC(=O)[C@@H]([C@@H](O)C)NC(=O)[C@@H](N)CCN)CCN)=O)CCNC1=O)=O)CC(C)C)C
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO
Shelf Life
>3 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.03.00
