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Catalog No: A10GD-4324
Cas No: 91088-55-0
Properties: Mol Formula: C11H12N2O5S, Mol Weight: 284.29
IUPAC Name: (2R)-2-acetamido-3-(4-nitrophenyl)sulfanylpropanoic acid
Synonym: S-(4-Nitrophenyl)mercapturic Acid, (2R)-2-acetamido-3-(4-nitrophenyl)sulfanylpropanoic acid, L-Cysteine, N-acetyl-S-(4-nitrophenyl)-
N-Acetyl-S-(4-nitrophenyl)-L-cysteine; N-Acetyl-3-[(p-nitrophenyl)thio]alanine
S-(4-Nitrophenyl)mercapturic acid (S-NPMA) is the major metabolite of 4-nitrophenol, which is a precursor to dyes and pharmaceuticals. S-NPMA has been detected in urine samples from humans, rats, and mice. The main metabolic pathway for S-NPMA is an oxidative conversion by cytochrome P450 enzymes. S-NPMA has been found to be a useful biomarker for the presence of polycyclic aromatic hydrocarbons in wastewater and human urine. The levels of this compound have also been shown to increase with age in humans.
| CAS Number | 91088-55-0 |
| Product Name | N-Acetyl-S-(4-nitrophenyl)-L-cysteine |
| IUPAC Name | (2R)-2-acetamido-3-(4-nitrophenyl)sulfanylpropanoic acid |
| Molecular Formula | C11H12N2O5S |
| Molecular Weight | 284.29 g/mol |
| InChI | InChI=1S/C11H12N2O5S/c1-7(14)12-10(11(15)16)6-19-9-4-2-8(3-5-9)13(17)18/h2-5,10H,6H2,1H3,(H,12,14)(H,15,16)/t10-/m0/s1 |
| InChI Key | LOBKSYPZBSVLLE-JTQLQIEISA-N |
| SMILES | CC(=O)NC(CSC1=CC=C(C=C1)[N+](=O)[O-])C(=O)O |
| Synonyms | N-Acetyl-S-(4-nitrophenyl)-L-cysteine; N-Acetyl-3-[(p-nitrophenyl)thio]alanine |
| Canonical SMILES | CC(=O)NC(CSC1=CC=C(C=C1)[N+](=O)[O-])C(=O)O |
| Isomeric SMILES | CC(=O)N[C@@H](CSC1=CC=C(C=C1)[N+](=O)[O-])C(=O)O |
| Size | 1 G, 100 MG, 5 G, Other |
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