CAS 904315-61-3

2-[[Hydroxy[[4-methyl-2-oxo-6-[(1-oxohexadecyl)amino]-2H-1-benzopyran-7-yl]oxy]phosphinyl]oxy]-N,N,N-trimethylethanaminium inner salt

Description:

The chemical substance known as "2-[[Hydroxy[[4-methyl-2-oxo-6-[(1-oxohexadecyl)amino]-2H-1-benzopyran-7-yl]oxy]phosphinyl]oxy]-N,N,N-trimethylethanaminium inner salt" with CAS number 904315-61-3 is a complex organic compound characterized by its unique structural features. It contains a benzopyran moiety, which is a fused ring system known for its presence in various natural products and pharmaceuticals. The compound also features a phosphinyl group, indicating potential applications in medicinal chemistry, particularly in drug design or as a bioactive agent. The presence of a trimethylated amine suggests that it may exhibit quaternary ammonium characteristics, which can influence its solubility and biological activity. Additionally, the long-chain fatty acid derivative (1-oxohexadecyl) may enhance its lipophilicity, potentially affecting its membrane permeability and interaction with biological systems. Overall, this compound's intricate structure suggests it may possess interesting pharmacological properties, warranting further investigation in the fields of medicinal chemistry and biochemistry.

Formula: C₃₁H₅₁N₂O₇P

InChI: InChI=1S/C31H51N2O7P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(34)32-27-23-26-25(2)22-31(35)39-28(26)24-29(27)40-41(36,37)38-21-20-33(3,4)5/h22-24H,6-21H2,1-5H3,(H-,32,34,36,37)

InChI key: InChIKey=QFILBKCHKGLJKP-UHFFFAOYSA-N

SMILES: CC=1C=2C(=CC(OP(OCC[N+](C)(C)C)(=O)[O-])=C(NC(CCCCCCCCCCCCCCC)=O)C2)OC(=O)C1

Synonyms:

• Ethanaminium, 2-[[hydroxy[[4-methyl-2-oxo-6-[(1-oxohexadecyl)amino]-2H-1-benzopyran-7-yl]oxy]phosphinyl]oxy]-N,N,N-trimethyl-, inner salt
• 2-[[Hydroxy[[4-methyl-2-oxo-6-[(1-oxohexadecyl)amino]-2H-1-benzopyran-7-yl]oxy]phosphinyl]oxy]-N,N,N-trimethylethanaminium inner salt
• 6-Hexadecanoylamino-4-methylumbelliferyl phosphorylcholine - Moscerdam biochemical purity
• 6-HexadecanoylaMino-4-MethyluMbelliferyl Phosphorylcholine

6-Hexadecanoylamino-4-methylumbelliferyl Phosphorylcholine

CAS: 904315-61-3

Applications 6-Hexadecanoylamino-4-methylumbelliferyl phosphorylcholine is a phosphorylcholine derivative and was shown to be a specific substrate for the determination of acid (lysosomal) sphingomyelinase.
References Van Diggelen, O.P., et al.: J. Inherit. Dis., 28, 733 (2005);

Formula: C₃₁H₅₁N₂O₇P

Color and Shape: Neat

Molecular weight: 594.72

Ref: TR-H293590

6-Hexadecanoylamino-4-methylumbelliferyl phosphorylcholine - Moscerdam™ biochemical purity

CAS: 904315-61-3

6-Hexadecanoylamino-4-methylumbelliferyl phosphorylcholine (HMUPC) is a fluorogenic substrate of acid sphingomyelinase (ASM) in the application of the diagnosis of Niemann–Pick type A and B (NPAB). NPAB is one of the lysosomal storage diseases, caused by a deficiency of ASM. This deficiency results in the accumulation of sphingomyelin and other lipids in various tissues. The assay using HMUPC as the substrate shows rapid and robust determination of ASM activity. When combined with the unlabelled natural substrate such as sphingomyelin as a specific inhibitor of ASM activity, the specificity of assay is enhanced up to the level of the classical assay with radiolabelled natural substrate. HMUPC is also used as the substrate in the ASM assay to investigate the retention of lysosomal enzyme activity of bi-functional IgG-ASM fusion protein in the delivery across blood-brain barrier.

Formula: C₃₁H₅₁N₂O₇P

Purity: Min. 97 Area-%

Color and Shape: White Powder

Molecular weight: 594.72 g/mol

Ref: 3D-EH31028