3-Hydroxyhippuric acid

Name: 3-Hydroxyhippuric acid
Brand: MedChemExpress
SKU: HY-113085
Rating: 4.5 (1 reviews)

Art. -Nr.: HY-113085 Reinheit: 99.52%: Data Sheet
COA

SDS
Handling Instructions
FAQs
Technical Support

3-Hydroxyhippuric acid is an acylglycine. 3-Hydroxyhippuric acid inhibits kynureninase (K_i=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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3-Hydroxyhippuric acid Chemische Struktur

CAS. Nr. : 1637-75-8

Größe	Verfügbarkeit	Menge

Kostenlose Probe (0.1 - 0.2 mg)	Jetzt bewerben
Kostenlose Probe (0.1 - 0.2 mg)	Jetzt bewerben
Solid + Solvent (Highly Recommended)
10 mM * 1 mL in DMSO ready for reconstitution	Auf Lager	Estimated Time of Arrival: December 31
Solution
10 mM * 1 mL in DMSO	Auf Lager	Estimated Time of Arrival: December 31
Solid
50 mg	Auf Lager	Estimated Time of Arrival: December 31
100 mg	Auf Lager	Estimated Time of Arrival: December 31
200 mg	Angebot einholen
500 mg	Angebot einholen

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Based on 1 publication(s) in Google Scholar

Other Forms of 3-Hydroxyhippuric acid:

3-Hydroxyhippuric acid (Standard) In-stock
3-Hydroxyhippuric acid-d₄ Angebot einholen
3-Hydroxyhippuric acid-¹³C₂,¹⁵N Angebot einholen

1 Publications Citing Use of MCE 3-Hydroxyhippuric acid

•J Exp Clin Cancer Res. 2025 Jul 4;44(1):193. [Abstract]

Spezialitätsempfehlungen

•Related Screening Libraries:

•Related Small Molecules:

•Related Proteins:

Alle Endogenous Metabolite Isoform-spezifische Produkte anzeigen:

Alle Isoformen anzeigen

Human Endogenous Metabolite Microbial Metabolite

Biologische Aktivität
Reinheit & Dokumentation
Verweise
Kundenbewertung

Beschreibung

IC₅₀ & Target

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 K_i 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.

Molekulargewicht

195.17

Formel

C₉H₉NO₄

CAS. Nr.

1637-75-8

Appearance

Solid

Color

White to off-white

SMILES

O=C(O)CNC(C1=CC=CC(O)=C1)=O

Structure Classification

Ketones, Aldehydes, Acids

Initial Source

Endogenous metabolite

Versand

Room temperature in continental US; may vary elsewhere.

Speicherung

Powder	-20°C	3 years
	4°C	2 years
In solvent	-80°C	2 years
	-20°C	1 year

Lösungsmittel & Löslichkeit

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)

Preparing
Stock Solutions

Concentration Solvent Mass	1 mg	5 mg	10 mg

1 mM	5.1237 mL	25.6187 mL	51.2374 mL
5 mM	1.0247 mL	5.1237 mL	10.2475 mL
10 mM	0.5124 mL	2.5619 mL	5.1237 mL

View the 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.

Molaritätsrechner
Verdünnungsrechner

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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.

Protocol 1

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.
Protocol 2

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.
Protocol 3

Add each solvent one by one: 10% DMSO 90% Corn Oil
Solubility: ≥ 2.08 mg/mL (10.66 mM); Clear solution

This protocol yields a clear solution of ≥ 2.08 mg/mL (saturation unknown). If the continuous dosing period exceeds half a month, please choose this protocol carefully.
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (20.8 mg/mL) to 900 μL Corn oil, and mix evenly.

In Vivo Dissolution Calculator

Please enter the basic information of animal experiments:

Dosage

mg/kg

Animal weight
(per animal)

Dosing volume
(per animal)

μL

Number of animals

Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.

Please enter your animal formula composition:

DMSO +

Tween-80 +

Saline

Recommended: Keep the proportion of DMSO in working solution below 2% if your animal is weak.

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).

Calculation results:

Working solution concentration: mg/mL

Method for preparing stock solution: mg drug dissolved in μL DMSO (Stock solution concentration: mg/mL).

The concentration of the stock solution you require exceeds the measured solubility. The following solution is for reference only. If necessary, please contact MedChemExpress (MCE).

Method for preparing in vivo working solution for animal experiments: Take μL DMSO stock solution, add μL . μL , mix evenly, next add μL Tween 80, mix evenly, then add μL Saline.

If the continuous dosing period exceeds half a month, please choose this protocol carefully.

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.

Reinheit & Dokumentation

Purity: 99.64%

Select Batch:

Data Sheet (273 KB) SDS (393 KB)

COA (244 KB) LCMS (267 KB)

Handling Instructions (2659 KB)

Verweise

[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

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