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4-Nitrophenyl-N-acetyl-β-D-glucosaminide is a substrate for the enzyme β-N-acetyl-glucosaminidase (NAGase). This enzyme catalyzes the hydrolysis of the glycosidic bond, releasing 4-nitrophenol, which can be detected colorimetrically. The compound does not have a pharmacological target but is used as a research tool for measuring enzyme activity in biochemical and clinical applications.
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| ln Vitro |
In vitro, 4-nitrophenyl-N-acetyl-β-D-glucosaminide is used as a chromogenic substrate for the determination of β-N-acetyl-glucosaminidase activity. The cleavage product, 4-nitrophenol, is measured at 405 nm. The compound can also be used in combination with diethylaminoethyl-α-cyclodextrin (DEn-CD) for a rapid and accurate rate assay method for β-N-acetyl-glucosaminidase. It is suitable as a substrate for N-acetyl-β-D-glucosaminidase testing.
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| ln Vivo |
In vivo data for 4-nitrophenyl-N-acetyl-β-D-glucosaminide are not available, as the compound is a chromogenic substrate used exclusively for in vitro enzymatic assays. It is not intended for in vivo administration and has no established in vivo pharmacokinetic or pharmacodynamic profile. The compound is not designed for therapeutic use.
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| Enzyme Assay |
For in vitro enzyme activity assays, 4-nitrophenyl-N-acetyl-β-D-glucosaminide is used as a chromogenic substrate for β-N-acetyl-glucosaminidase. A rate assay method involves preparing a 4.8 mM stock solution of the substrate in 0.1 M glycolate buffer, pH 5.5, mixing with a properly diluted sample, and monitoring absorbance at 400-420 nm in a spectrophotometer. The reaction rate (enzymatic activity) is calculated from the rate of absorbance increase.
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| Cell Assay |
For in vitro cell-based experiments, 4-nitrophenyl-N-acetyl-β-D-glucosaminide is not typically used directly in cell culture. It is a chromogenic substrate used for measuring enzyme activity in cell lysates or biological fluids such as urine. Cells are lysed in appropriate buffer, and the substrate is added to the lysate. After incubation, absorbance is measured at 405 nm to quantify NAGase activity.
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| Animal Protocol |
In vivo animal studies for 4-nitrophenyl-N-acetyl-β-D-glucosaminide are not applicable, as the compound is a chromogenic substrate used exclusively for in vitro enzymatic assays. No animal studies have been conducted for this compound as a therapeutic agent, and it is not intended for diagnostic or therapeutic use in animals or humans.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for 4-nitrophenyl-N-acetyl-β-D-glucosaminide are not available, as the compound is not a drug and is not administered to living organisms. The compound has a molecular weight of 342.30 g/mol and a specific rotation of -15° ± 2° (5 mg/ml, water, 25°C). It is soluble in water (5 mg/ml). The compound should be stored at -20°C.
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| Toxicity/Toxicokinetics |
4-Nitrophenyl-N-acetyl-β-D-glucosaminide is a research chemical and should be handled with appropriate laboratory safety precautions. As a chromogenic substrate, it may cause skin and eye irritation. The product is for R&D use only, not for drug, household, or other uses. The compound should be stored at -20°C. Specific LD₅₀ values and acute toxicity classifications are available from safety data sheets.
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| References | |
| Additional Infomation |
4-Nitrophenyl N-acetyl-β-D-glucosinolate is an N-acetyl-β-D-glucosinolate in which the terminal hydroxyl hydrogen is replaced by a 4-nitrophenyl group. It is a chromogenic compound. It is a C-nitro compound and also an N-acetyl-β-D-glucosinolate. Functionally, it is related to 4-nitrophenol.
4-Nitrophenyl-N-acetyl-β-D-glucosaminide (NP-GlcNAc, CAS 3459-18-5) is a research-grade chromogenic substrate, not an FDA-approved pharmaceutical drug. Its primary application is as a substrate for β-N-acetyl-glucosaminidase (NAGase) in biochemical and clinical research. The compound is used to measure NAGase activity in biological fluids such as urine. It is also used in combination with cyclodextrin derivatives for rapid rate assays. No clinical trials or approved indications exist for this compound. |
| Molecular Formula |
C14H18N2O8
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|---|---|
| Molecular Weight |
342.30
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| Exact Mass |
342.106
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| CAS # |
3459-18-5
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| PubChem CID |
102416
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| Appearance |
White to off-white solid powder
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| Density |
1.5±0.1 g/cm3
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| Boiling Point |
694.7±55.0 °C at 760 mmHg
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| Melting Point |
210 - 212ºC
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| Flash Point |
374.0±31.5 °C
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| Vapour Pressure |
0.0±2.3 mmHg at 25°C
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| Index of Refraction |
1.620
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| LogP |
-0.4
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| Hydrogen Bond Donor Count |
4
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| Hydrogen Bond Acceptor Count |
8
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
24
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| Complexity |
449
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| Defined Atom Stereocenter Count |
5
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| SMILES |
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC2=CC=C(C=C2)[N+](=O)[O-])CO)O)O
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| InChi Key |
OMRLTNCLYHKQCK-DHGKCCLASA-N
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| InChi Code |
InChI=1S/C14H18N2O8/c1-7(18)15-11-13(20)12(19)10(6-17)24-14(11)23-9-4-2-8(3-5-9)16(21)22/h2-5,10-14,17,19-20H,6H2,1H3,(H,15,18)/t10-,11-,12-,13-,14-/m1/s1
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| Chemical Name |
N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-nitrophenoxy)oxan-3-yl]acetamide
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
DMSO: 100 mg/mL (292.14 mM)
H2O: 2 mg/mL (5.84 mM) |
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 1.25 mg/mL (3.65 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 12.5 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 1.25 mg/mL (3.65 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 12.5 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. View More
Solubility in Formulation 3: ≥ 1.25 mg/mL (3.65 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.9214 mL | 14.6071 mL | 29.2141 mL | |
| 5 mM | 0.5843 mL | 2.9214 mL | 5.8428 mL | |
| 10 mM | 0.2921 mL | 1.4607 mL | 2.9214 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
Link: https://clinicaltrials.gov/ct2/show/NCT06847698
Conditions:Safety Issues|Tolerability|Pharmacokinetics|PharmacodynamicsProducts are for research use only; We do not sell to patients
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