Polymyxin B2 - ≥95% , CAS No.34503-87-2

CAS: 34503-87-2 Cat. No.: P1303554 Molecular Weight: 1189.45

GRADE & PURITY ≥95%

Synonyms

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)-3-hydro

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Overview

Polymyxin B2 is a polypeptide antibiotic with antibacterial activity, especially against Gram‑negative bacteria. By binding to lipopolysaccharide molecules on bacterial cell membranes, Polymyxin B2 disrupts membrane integrity, causing leakage of cellular contents and thereby killing bacteria. It can be used in research on antibiotic‑resistant strain development.

Specifications

Synonyms

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)-3-hydro

Specifications & Purity

≥95%

Storage

Store at -20°C, Desiccated

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C[C@H]([C@H]1C(=O)NCC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCN)CCN)CC(C)C)CC2=CC=CC=C2)CCN)NC(=O)[C@H](CCN)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCN)NC(=O)CCCCC(C)C)O
• IUPAC Name: 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-methylheptanamide
• InChIKey: SGPYLFWAQBAXCZ-RUDZPDEXSA-N
• INCHI: 1S/C55H96N16O13/c1-30(2)12-10-11-15-43(74)62-35(16-22-56)50(79)71-45(33(6)73)55(84)67-38(19-25-59)47(76)66-40-21-27-61-54(83)44(32(5)72)70-51(80)39(20-26-60)64-46(75)36(17-23-57)65-52(81)41(28-31(3)4)68-53(82)42(29-34-13-8-7-9-14-34)69-48(77)37(18-24-58)63-49(40)78/h7-9,13-14,30-33,35-42,44-45,72-73H,10-12,15-29,56-60H2,1-6H3,(H,61,83)(H,62,74)(H,63,78)(H,64,75)(H,65,81)(H,66,76)(H,67,84)(H,68,82)(H,69,77)(H,70,80)(H,71,79)/t32-,33-,35+,36+,37+,38+,39+,40+,41+,42-,44+,45+/m1/s1
• Molecular Weight: 1189.45

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic Polymers
    • Class Polypeptides

• Kingdom: Organic compounds
• Superclass: Organic Polymers
• Class: Polypeptides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Polypeptides
• Alternative Parents: Cyclic peptides N-acyl-alpha amino acids and derivatives Macrolactams Alpha amino acid amides N-acyl amines Benzene and substituted derivatives Secondary carboxylic acid amides Secondary alcohols Lactams Azacyclic compounds Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Polypeptide - Cyclic alpha peptide - Macrolactam - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Monocyclic benzene moiety - Fatty amide - N-acyl-amine - Fatty acyl - Benzenoid - Secondary carboxylic acid amide - Secondary alcohol - Amino acid or derivatives - Carboxamide group - Lactam - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Amine - Carbonyl group - Alcohol - Organonitrogen compound - Organooxygen compound - Primary amine - Organic oxygen compound - Hydrocarbon derivative - Primary aliphatic amine - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as polypeptides. These are peptides containing ten or more amino acid residues.
• External Descriptors: polymyxin

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: Solubility：Solubility in H₂O: ≥ 100 mg/mL (84.07 mM)
• Molecular Weight: 1189.500 g/mol
• XLogP3: -3.000
• Hydrogen Bond Donor Count: 18
• Hydrogen Bond Acceptor Count: 18
• Rotatable Bond Count: 28
• Exact Mass: 1188.73 Da
• Monoisotopic Mass: 1188.73 Da
• Topological Polar Surface Area: 491.000 Ų
• Heavy Atom Count: 84
• Formal Charge: 0
• Complexity: 2140.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 12
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1