3-Hydroxyhippuric acid
Based on 1 publication(s) in Google Scholar
3-Hydroxyhippuric acid is an acylglycine. 3-Hydroxyhippuric acid inhibits kynureninase (Ki=60 μM). The concentration of 3-Hydroxyhippuric acid in autistic experimental groups is higher than that in control groups. 3-Hydroxyhippuric acid is a biomarker for Clostridium and is positively correlated with the content of Clostridium. 3-Hydroxyhippuric acid is one of the major metabolites of catechin-rich and wine polyphenol-rich diets. 3-Hydroxyhippuric acid can be used in the research of neurodegenerative diseases and autism spectrum disorders.
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- Pureza : 99.52%
- No. CAS: 1637-75-8
- Fòrmula: C9H9NO4
- Peso molecular:195.17
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Almacenamiento:Powder -20°C, 3 years , 4°C, 2 years ; In solvent -80°C, 2 years , -20°C, 1 year
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Actividad biológica
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Chemical Information
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Solvente y solubilidad
- Pureza y Documentación
- Referencias
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Help & FAQs
Publications Citing Use of MedChemExpress (MCE) 3-Hydroxyhippuric acid
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Actividad biológica
Descripciòn
IC50 & Target
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Microbial Metabolite |
Human Endogenous Metabolite |
In Vitro
3-Hydroxyhippuric acid (four distinct concentrations) acts as a moderate competitive inhibitor of purified Homo sapiens kynureninase with a Ki of 60 μM[1].
3-Hydroxyhippuric acid (350 μM; 4-5 weeks) binds to the active site of Homo sapiens kynureninase at 80% occupancy, forming specific hydrogen bonds, π-stacking interactions, and ionic contacts, while inducing localized conformational shifts in active site and channel residues[1].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
Chemical Information
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No. CAS 1637-75-8
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Appearance Solid
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Peso molecular 195.17
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Fòrmula C9H9NO4
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Color White to off-white
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SMILES
O=C(O)CNC(C1=CC=CC(O)=C1)=O
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Structure Classification
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Initial Source
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Envío
Room temperature in continental US; may vary elsewhere.
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Almacenamiento
Powder -20°C 3 years 4°C 2 years In solvent -80°C 2 years -20°C 1 year
Publications (1)
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Journal Impact Factor
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Most Recent
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J Exp Clin Cancer Res
M2 macrophage-secreted KYNU promotes stemness remodeling and malignant behavior in endometrial cancer via the SOD2-mtROS-ERO1α-UPRER axis. [Abstract]2025 Jul 4;44(1):193. PMID: 40616124
Solvente y solubilidad
In Vitro:
DMSO : 83.33 mg/mL (426.96 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 2 years; -20°C, 1 year. When stored at -80°C, please use it within 2 years. When stored at -20°C, please use it within 1 year.
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 2 years; -20°C, 1 year. When stored at -80°C, please use it within 2 years. When stored at -20°C, please use it within 1 year.
Concentration (start) × Volume (start) = Concentration (final) × Volume (final)
In Vivo:
Select the appropriate dissolution method based on your experimental animal and administration route.
- For the following dissolution methods, please ensure to first prepare a clear stock solution using an In Vitro approach and then sequentially add co-solvents:
- To ensure reliable experimental results, the clarified stock solution can be appropriately stored based on storage conditions. As for the working solution for In Vivo experiments, it is recommended to prepare freshly and use it on the same day.
- The percentages shown for the solvents indicate their volumetric ratio in the final prepared solution. If precipitation or phase separation occurs during preparation, heat and/or sonication can be used to aid dissolution.
Add each solvent one by one: 10% DMSO 40% PEG300 5% Tween-80 45% Saline
Solubility: ≥ 2.08 mg/mL (10.66 mM); Clear solution
This protocol yields a clear solution of ≥ 2.08 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (20.8 mg/mL) to 400 μL PEG300, and mix evenly; then add 50 μL Tween-80 and mix evenly; then add 450 μL Saline to adjust the volume to 1 mL.
Preparation of Saline: Dissolve 0.9 g sodium chloride in ddH₂O and dilute to 100 mL to obtain a clear Saline solution.
Add each solvent one by one: 10% DMSO 90% (20% SBE-β-CD in Saline)
Solubility: ≥ 2.08 mg/mL (10.66 mM); Clear solution
This protocol yields a clear solution of ≥ 2.08 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (20.8 mg/mL) to 900 μL 20% SBE-β-CD in Saline, and mix evenly.
Preparation of 20% SBE-β-CD in Saline (4°C, storage for one week): 2 g SBE-β-CD powder is dissolved in 10 mL Saline, completely dissolve until clear.
In Vivo Dissolution Calculator
Please enter the basic information of animal experiments:
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Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.
Please enter your animal formula composition:
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%DMSO +
Recommended: Keep the proportion of DMSO in working solution below 2% if your animal is weak.
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%+
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+%Tween-80 + +
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%Saline +
The co-solvents required include: DMSO, . All of co-solvents are available by MedChemExpress (MCE). , Tween 80. All of co-solvents are available by MedChemExpress (MCE).
Working solution concentration: 0.22 mg/mL
Method for preparing stock solution: mg drug dissolved in μL DMSO. Stock solution concentration: mg/mL.
1. Take μL DMSO stock solution;
2. Add μL .
μL , mix evenly;
3. Then add μL Tween 80, mix evenly;
4. Then add μL
Please ensure that the stock solution in the first step is dissolved to a clear state, and add co-solvents in sequence. You can use ultrasonic heating (ultrasonic cleaner, recommended frequency 20-40 kHz), vortexing, etc. to assist dissolution.
Pureza y Documentación
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Ficha de datos (273 KB)
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SDS (393 KB)
- English - EN (393 KB)
- Français - FR (393 KB)
- Deutsch - DE (393 KB)
- Norwegian - NO (393 KB)
- Español - ES (393 KB)
- Swedish - SV (393 KB)
- Italian - IT (393 KB)
- Korean - KR (393 KB)
- Portuguese - PT (393 KB)
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Instrucciones de manejo (2659 KB)
Referencias
[1]. Lima S, et al. Crystal structure of the Homo sapiens kynureninase-3-hydroxyhippuric acid inhibitor complex: insights into the molecular basis of kynureninase substrate specificity. J Med Chem. 2009;52(2):389-396. [Content Brief]
[2]. Gonthier, M. P., et al., (2003). Microbial aromatic acid metabolites formed in the gut account for a major fraction of the polyphenols excreted in urine of rats fed red wine polyphenols. The Journal of nutrition, 133(2), 461–467. [Content Brief]
[3]. Xiong X, et al. Urinary 3-(3-Hydroxyphenyl)-3-hydroxypropionic Acid, 3-Hydroxyphenylacetic Acid, and 3-Hydroxyhippuric Acid Are Elevated in Children with Autism Spectrum Disorders. Biomed Res Int. 2016;2016:9485412. [Content Brief]
Complete Stock Solution Preparation Table
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 2 years; -20°C, 1 year. When stored at -80°C, please use it within 2 years. When stored at -20°C, please use it within 1 year.
| Optional Solvent | Concentration Solvent Mass | 1 mg | 5 mg | 10 mg | 25 mg |
|---|---|---|---|---|---|
| DMSO | 1 mM | 5.1237 mL | 25.6187 mL | 51.2374 mL | 128.0935 mL |
| 5 mM | 1.0247 mL | 5.1237 mL | 10.2475 mL | 25.6187 mL | |
| 10 mM | 0.5124 mL | 2.5619 mL | 5.1237 mL | 12.8093 mL | |
| 15 mM | 0.3416 mL | 1.7079 mL | 3.4158 mL | 8.5396 mL | |
| 20 mM | 0.2562 mL | 1.2809 mL | 2.5619 mL | 6.4047 mL | |
| 25 mM | 0.2049 mL | 1.0247 mL | 2.0495 mL | 5.1237 mL | |
| 30 mM | 0.1708 mL | 0.8540 mL | 1.7079 mL | 4.2698 mL | |
| 40 mM | 0.1281 mL | 0.6405 mL | 1.2809 mL | 3.2023 mL | |
| 50 mM | 0.1025 mL | 0.5124 mL | 1.0247 mL | 2.5619 mL | |
| 60 mM | 0.0854 mL | 0.4270 mL | 0.8540 mL | 2.1349 mL | |
| 80 mM | 0.0640 mL | 0.3202 mL | 0.6405 mL | 1.6012 mL | |
| 100 mM | 0.0512 mL | 0.2562 mL | 0.5124 mL | 1.2809 mL |
3-Hydroxyhippuric acid Related Classifications
HY-113085 Related Classifications
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