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| Other Sizes |
| Targets |
The primary targets of N-Acetyl-L-histidine monohydrate are not well-defined, as it is an endogenous metabolite. It may serve as a precursor in the synthesis of various bioactive compounds. The compound is involved in reducing oxidative stress, suggesting it may target reactive oxygen species and antioxidant pathways. It is utilized in neuromodulation research, indicating potential interactions with neurotransmitter systems. These targets make it relevant for neurological and metabolic research.
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| ln Vitro |
Since it is the main penetrant in the eyes and brains of teleost fish, amphibians, and reptiles but not in the brain and at far lower levels in reptiles, N-acetyl-L-histidine monohydrate (NAH) also shows a strong phylogenetic component. Additional vertebrate tissues that are homeothermic (endothermic) [1].
In vitro, N-Acetyl-L-histidine monohydrate is studied for its role in reducing oxidative stress and supporting cellular functions. As a histidine derivative, it may participate in various biochemical processes. The compound is used in cell-based assays to study its effects on oxidative stress markers, cellular metabolism, and neuroprotection. These in vitro activities support its use in research on oxidative stress, neuroprotection, and metabolic disorders. |
| ln Vivo |
In vivo, N-Acetyl-L-histidine monohydrate functions as an animal metabolite and is found in the brain, retina, and lens of poikilothermic vertebrates. It is involved in reducing oxidative stress and supporting cellular functions. The compound is utilized in neuromodulation research, suggesting potential applications in neurological studies. However, detailed in vivo efficacy data are limited. Further studies are needed to fully characterize its physiological roles and therapeutic potential.
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| Enzyme Assay |
In vitro enzyme/receptor binding assays for N-Acetyl-L-histidine monohydrate are not typically conducted, as it is an endogenous metabolite rather than a drug candidate. However, the compound's antioxidant activity can be assessed using cell-free assays such as DPPH radical scavenging or FRAP assays. Its effects on oxidative stress markers can be measured in cell lysates using commercial kits. The compound's role as a metabolite can be studied using metabolomics approaches. All assays include appropriate controls and reference compounds (e.g., known antioxidants).
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| Cell Assay |
In vitro cell-based assays for N-Acetyl-L-histidine monohydrate are conducted using neuronal cell lines or primary neurons to assess neuroprotective effects, or other cell types for oxidative stress studies. Cells are treated with compound concentrations ranging from 0.1-1000 µM for 24-72 hours. Oxidative stress is induced using H2O2 or other oxidants. Cell viability is assessed using MTT assays. ROS levels are measured using fluorescent probes. Neuroprotection is evaluated by measuring neuronal survival and function. Experiments include vehicle controls and positive controls (e.g., N-acetylcysteine).
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| Animal Protocol |
In vivo animal studies with N-Acetyl-L-histidine monohydrate are limited, as the compound is an endogenous metabolite. Studies may be conducted in poikilothermic vertebrates to investigate its physiological roles. The compound may be administered via injection or dietary supplementation. Oxidative stress markers and metabolic parameters are measured in tissues. Neuromodulation studies may assess behavioral or electrophysiological effects. Each group consists of 6-10 animals with appropriate controls. Further studies are needed for comprehensive characterization.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of N-Acetyl-L-histidine monohydrate have not been extensively characterized, as it is an endogenous metabolite. As a small, polar molecule (MW 215.21), it is expected to have good water solubility and distribution in body fluids. The compound is naturally present in various tissues. It is likely metabolized through deacetylation to histidine, with elimination via renal excretion. Detailed PK parameters require further investigation in preclinical species.
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| Toxicity/Toxicokinetics |
Toxicological data for N-Acetyl-L-histidine monohydrate indicate that it is generally well-tolerated, as it is a naturally occurring metabolite. No significant toxicity has been reported. The compound is used as a pharmaceutical intermediate and is considered safe at concentrations used for research. Comprehensive toxicological studies have not been conducted. As with all research chemicals, appropriate safety precautions should be taken during handling.
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| References | |
| Additional Infomation |
N-Acetyl-L-histidine monohydrate is a naturally occurring N-acetylated amino acid derivative found in the brain, retina, and lens of poikilothermic vertebrates. It functions as an animal metabolite and is involved in reducing oxidative stress and supporting cellular functions. The compound is utilized in neuromodulation, antioxidative, and neurological research. It is also a pharmaceutical intermediate. Not approved for clinical therapeutic use; intended for research purposes only.
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| Molecular Formula |
C₈H₁₃N₃O₄
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|---|---|
| Molecular Weight |
215.21
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| Exact Mass |
215.091
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| CAS # |
39145-52-3
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| PubChem CID |
2724380
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| Appearance |
White to off-white solid powder
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| Boiling Point |
620.2ºC at 760 mmHg
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| Melting Point |
ca. 157ºC (decomposes)
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| Flash Point |
328.9ºC
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| Index of Refraction |
46.5 ° (C=1, H2O)
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| Hydrogen Bond Donor Count |
4
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
15
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| Complexity |
232
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| Defined Atom Stereocenter Count |
1
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| SMILES |
CC(=O)N[C@@H](CC1=CN=CN1)C(=O)O.O
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| InChi Key |
PSWSDQRXCOJSFC-FJXQXJEOSA-N
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| InChi Code |
InChI=1S/C8H11N3O3.H2O/c1-5(12)11-7(8(13)14)2-6-3-9-4-10-6;/h3-4,7H,2H2,1H3,(H,9,10)(H,11,12)(H,13,14);1H2/t7-;/m0./s1
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| Chemical Name |
(2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoic acid;hydrate
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| Synonyms |
NAcetylLhistidine monohydrate; N Acetyl L histidine monohydrate
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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) |
H2O : ~62.5 mg/mL (~290.41 mM)
DMSO : ~20 mg/mL (~92.93 mM) |
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2 mg/mL (9.29 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 20.0 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: ≥ 2 mg/mL (9.29 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 20.0 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: ≥ 2 mg/mL (9.29 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. Solubility in Formulation 4: 12.5 mg/mL (58.08 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with ultrasonication. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 4.6466 mL | 23.2331 mL | 46.4662 mL | |
| 5 mM | 0.9293 mL | 4.6466 mL | 9.2932 mL | |
| 10 mM | 0.4647 mL | 2.3233 mL | 4.6466 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.
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