ChemicalBook--->CAS DataBase List--->4135-11-9

4135-11-9

4135-11-9 Structure

4135-11-9 Structure
IdentificationBack Directory
[Name]

polymyxin B(1)
[CAS]

4135-11-9
[Synonyms]

polymyxin B(1)
(-)-N2-[[(6S)-6-Methyloctanoyl]-L-A2bu-L-Thr-L-A2bu-]cyclo(L-A2bu*-L-A2bu-D-Phe-L-Leu-L-A2bu-L-A2bu-L-Thr-)
(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
[Molecular Formula]

C56H98N16O13
[MDL Number]

MFCD01699017
[MOL File]

4135-11-9.mol
[Molecular Weight]

1203.48
Chemical PropertiesBack Directory
[Boiling point ]

838.79°C (rough estimate)
[density ]

1.0500 (rough estimate)
[refractive index ]

1.6200 (estimate)
[storage temp. ]

Store at -20°C
[solubility ]

PBS (pH 7.2): 2 mg/ml
[form ]

A crystalline solid
[pka]

13.08±0.70(Predicted)
[color ]

White to off-white
[Sequence]

{Dab(6-methyl-1-oxooctyl)}-Thr-{Dab}-{Dab}-{Dab}-{d-Phe}-Leu-{Dab}-{Dab}-Thr (Lactam bridge: Dab4-Thr10)
Safety DataBack Directory
[Symbol(GHS) ]

GHS hazard pictograms
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P264-P270-P271-P280-P301+P312-P330-P302+P352-P321-P304+P340-P305+P351+P338-P332+P313-P362+P364-P337+P313-P403+P233-P405-P501
Hazard InformationBack Directory
[Uses]

An antibacterial compound. It has a high volume of distribution and longer elimination half-life in patient with multidrug-resistant gram-negative bacterial infection.
[Definition]

ChEBI: A polymyxin having a (6R)-6-methyloctanoyl group at the amino terminus.
[in vivo]

The pharmacokinetics of Polymyxin B1 is investigated in a rat model following intravenous administration (0.8 mg/kg). The area under the concentration-time curve for Polymyxins B1 is greater than those of colistins A and B. Colistin A colistin B. The clearance value of Polymyxins B1 is 2.39 mL/min/kg, the plasma protein binding is 82.3%, the elimination half-life is 79.5 min and the AUC0-∞ is 365 mg min/L[5].

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