CAS 60438-73-5

Ethanaminium, 2-[[hydroxy[4-nitro-2-[(1-oxohexadecyl)amino]phenoxy]phosphinyl]oxy]-N,N,N-trimethyl-, hydroxide (1:1)

Description:

Ethanaminium, 2-[[hydroxy[4-nitro-2-[(1-oxohexadecyl)amino]phenoxy]phosphinyl]oxy]-N,N,N-trimethyl-, hydroxide (1:1), commonly referred to by its CAS number 60438-73-5, is a quaternary ammonium compound characterized by its complex structure, which includes a phosphinyl group and a nitrophenyl moiety. This compound typically exhibits properties associated with surfactants and can function as a cationic agent due to the presence of the trimethylammonium group. Its hydrophobic hexadecyl chain contributes to its amphiphilic nature, allowing it to interact with both aqueous and lipid environments. The presence of the nitro group may impart additional reactivity and potential biological activity, making it of interest in various applications, including pharmaceuticals and agrochemicals. The hydroxide component indicates that it may exist as a salt, influencing its solubility and stability in different solvents. Overall, this compound's unique structural features suggest potential utility in diverse chemical and biological contexts.

Formula: C₂₇H₄₉N₃O₇P·HO

InChI: InChI=1S/C27H48N3O7P.H2O/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27(31)28-25-23-24(29(32)33)19-20-26(25)37-38(34,35)36-22-21-30(2,3)4;/h19-20,23H,5-18,21-22H2,1-4H3,(H-,28,31,34,35);1H2

InChI key: InChIKey=CDTKXKMMWVIQDN-UHFFFAOYSA-N

SMILES: N(C(CCCCCCCCCCCCCCC)=O)C1=C(OP(OCC[N+](C)(C)C)(=O)O)C=CC(N(=O)=O)=C1.[OH-]

Synonyms:

• 2-({[2-(hexadecanoylamino)-4-nitrophenoxy](hydroxy)phosphoryl}oxy)-N,N,N-trimethylethanaminium hydroxide
• 2-N-Hexadecanoylamino-4-nitrophenylphsophorylcholine
• Ethanaminium, 2-[[hydroxy[4-nitro-2-[(1-oxohexadecyl)amino]phenoxy]phosphinyl]oxy]-N,N,N-trimethyl-, hydroxide
• Ethanaminium, 2-[[hydroxy[4-nitro-2-[(1-oxohexadecyl)amino]phenoxy]phosphinyl]oxy]-N,N,N-trimethyl-, hydroxide (1:1)

2-(N-Hexadecanoylamino)-4-nitrophenylphosphocholine Hydroxide

CAS: 60438-73-5

Stability Hygroscopic
Applications Reported to be useful in detection and diagnosis of Niemann-Pick disease in humans.
References Brady, R.O., et al.: Proc. Natl. Acad. Sci. USA, 55, 366 (1966), Gal, A.E., et al.: New England J. Med., 293, 632 (1975),

Formula: C₂₇H₄₉N₃O₇P·HO

Color and Shape: Neat

Molecular weight: 575.68

Ref: TR-H293580

2-(N-Hexadecanoylamino)-4-nitrophenylphosphocholine hydroxide

CAS: 60438-73-5

2-(N-Hexadecanoylamino)-4-nitrophenylphosphocholine hydroxide, often abbreviated as HDA-PC, is a chromogenic substrate for acid sphingomyelinase enzyme. HDA-PC is used as a key substrate for measuring the activity of this enzyme, responsible for catalyzing the hydrolysis of sphingomyelin to ceramide. The activity assay for this measuring this enzyme's acitivy is to detect a deficiency (or lack) of the enzyme which is directly related to the Niemann-Pick disease.

Formula: C₂₇H₅₀N₃O₈P

Purity: Min. 95%

Color and Shape: Off-White Powder

Molecular weight: 575.68 g/mol

Ref: 3D-EH23780