n-tetradecylphosphocholine - ≥98%, Moisture content ≤ 8% , CAS No.77733-28-9

CAS: 77733-28-9 Cat. No.: N130418 Molecular Weight: 379.51

GRADE & PURITY ≥98%, Moisture content ≤ 8%

Synonyms

N-Tetradecylphosphorylcholine | Phosphocholine tetradecyl ester | Tetradecyl (2-(trimethylammonio)ethyl) phosphate | TDPPC | Tetradecylphosphocholine | Tetradecyl-phosphocholine | MAPCHO-14 | O-(Tetradecylphosphoryl)choline | C14PC

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

N-Tetradecylphosphorylcholine | Phosphocholine tetradecyl ester | Tetradecyl (2-(trimethylammonio)ethyl) phosphate | TDPPC | Tetradecylphosphocholine | Tetradecyl-phosphocholine | MAPCHO-14 | O-(Tetradecylphosphoryl)choline | C14PC

Specifications & Purity

≥98%, Moisture content ≤ 8%

Biochemical and Physiological Mechanisms

n-Tetradecylphosphocholine (C14PC), a more stable analog of myristoyl lysophosphatidylcholine, is an inhibitor of MARSA virulence. C14PC is a broad-spectrum inhibitor of Panton–Valentine leucocidin (PVL), LukED and α−toxin. C14PC protects primary human im

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

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

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CCCCCCCCCCCCCCOP(=O)([O-])OCC[N+](C)(C)C
• IUPAC Name: tetradecyl 2-(trimethylazaniumyl)ethyl phosphate
• InChIKey: BETUMLXGYDBOLV-UHFFFAOYSA-N
• INCHI: 1S/C19H42NO4P/c1-5-6-7-8-9-10-11-12-13-14-15-16-18-23-25(21,22)24-19-17-20(2,3)4/h5-19H2,1-4H3
• Isomeric SMILES: CCCCCCCCCCCCCCOP(=O)([O-])OCC[N+](C)(C)C
• Molecular Weight: 379.51
• Reaxy-Rn: 5590916
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5590916&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Quaternary ammonium salts
        • Level5 Cholines
          • Level6 Phosphocholines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Quaternary ammonium salts
• Intermediate Tree Nodes: Cholines
• Direct Parent: Phosphocholines
• Alternative Parents: Dialkyl phosphates Tetraalkylammonium salts Organopnictogen compounds Organooxygen compounds Organic salts Organic oxides Hydrocarbon derivatives Amines
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Phosphocholine - Dialkyl phosphate - Alkyl phosphate - Phosphoric acid ester - Organic phosphoric acid derivative - Tetraalkylammonium salt - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organooxygen compound - Amine - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as phosphocholines. These are compounds containing a [2-(trimethylazaniumyl)ethoxy]phosphonic acid or derivative.
• 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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: DMSO: 2 mg/mL, clear
• Sensitivity: Hygroscopic
• Molecular Weight: 379.500 g/mol
• XLogP3: 5.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 18
• Exact Mass: 379.285 Da
• Monoisotopic Mass: 379.285 Da
• Topological Polar Surface Area: 58.600 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 337.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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