Polymyxin B - Moligand™, ≥90% , CAS No.1404-26-8

CAS: 1404-26-8 Cat. No.: N1267802 Numéro CE: 215-768-4

GRADE & PURITY Moligand™, ≥90%

Synonyms

Polymyxin B base

Storage

Protected from light,Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Specifications

Synonymes

Polymyxin B base

Spécifications et pureté

Moligand™, ≥90%

Conditions de stockage de stockage

Protected from light,Store at -20°C,Desiccated

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

Moligand™

Pureté

≥90%

Noms et identifiants

• Pubchem Sid: 528771239
• Sourires canoniques: CCC(C)CCCCC(=O)N[C@@H](CCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](NC1=O)CCN)CC2=CC=CC=C2)CC(C)C)CCN)CCN)[C@@H](C)O
• IUPAC Name: N-[(2S)-4-amino-1-[[(2S,3R)-1-[[(2S)-4-amino-1-oxo-1-[[(3S,6S,9S,12S,15R,18R,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
• InChIKey: WQVJHHACXVLGBL-BPJDFBQWSA-N
• 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+/m1/s1

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Peptides
          • Level6 Cyclic peptides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Peptides
• Direct Parent: Cyclic peptides
• Alternative Parents: Benzene and substituted derivatives Cyclic carboximidic acids Secondary alcohols Propargyl-type 1,3-dipolar organic compounds Polyols Azacyclic compounds Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Cyclic alpha peptide - Monocyclic benzene moiety - Benzenoid - Cyclic carboximidic acid - Secondary alcohol - Carboximidic acid - Carboximidic acid derivative - Polyol - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Primary amine - Organopnictogen compound - Hydrocarbon derivative - Organic nitrogen compound - Alcohol - Amine - Organic oxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as cyclic peptides. These are compounds containing a cyclic moiety bearing a peptide backbone.
• External Descriptors: Not available

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

Propriétés chimiques et physiques

• Sensibilité: Moisture sensitive
• Poids moléculaire: 1203.500 g/mol
• XLogP3: -2.500
• Hydrogen Bond Donor Count: 18
• Hydrogen Bond Acceptor Count: 18
• Rotatable Bond Count: 29
• Exact Mass: 1202.75 Da
• Monoisotopic Mass: 1202.75 Da
• Topological Polar Surface Area: 491.000 Ų
• Heavy Atom Count: 85
• Formal Charge: 0
• Complexity: 2150.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 12
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Références

1. Jingxuan Han, Yan Zhang, Zhenfei Chen, Ao Zhang, Xuerong Shi.  (2023)  Synergistic effect of nitrogen and sulfur co-doped holey graphene for sensitive fenitrothion detection supported by DFT study.  MICROCHEMICAL JOURNAL,      [PMID:] [10.1016/j.microc.2023.109218]

2. Ye Shu, Tong Chen, Tao Liu, Hechen Xu, Jinjin He, Zhihui Cai, Wanning Zhu, Zihan Zhao, Jun Jiang.  (2023)  Preparation and characterization of mixed-mode hydrophilic stationary phase based on triple hydrophilic functionalized moieties and its application to traditional Chinese herbal compound.  MICROCHEMICAL JOURNAL,      [PMID:] [10.1016/j.microc.2023.108863]