3-Hydroxy agomelatine

Name: 3-Hydroxy agomelatine
Brand: MedChemExpress
SKU: HY-133111
Rating: 4.5 (1 reviews)

Cat. No.: HY-133111 Purity: 98.00%: FAQs
Data Sheet SDS COA Handling Instructions

Molarity Calculator

3-Hydroxy agomelatine is a metabolite of Agomelatine. 3-Hydroxy agomelatine is a 5-HT_2C receptor antagonist with an IC₅₀ of 3.2 μM and a K_i of 1.8 μM.

For research use only. We do not sell to patients.

3-Hydroxy agomelatine Chemical Structure

CAS No. : 166526-99-4

Size	Price	Stock	Quantity
Solid + Solvent (Highly Recommended)
10 mM * 1 mL in DMSO ready for reconstitution	USD 187	In-stock	Estimated Time of Arrival: December 31
Solution
10 mM * 1 mL in DMSO	USD 187	In-stock	Estimated Time of Arrival: December 31
Solid
5 mg	USD 170	In-stock	Estimated Time of Arrival: December 31
10 mg	USD 280	In-stock	Estimated Time of Arrival: December 31
50 mg		Get quote
100 mg		Get quote

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Customer Review

Based on 1 publication(s) in Google Scholar

Other Forms of 3-Hydroxy agomelatine:

3-Hydroxy agomelatine-d₃ Get quote

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Biological Activity
Purity & Documentation
References
Customer Review

Description

3-Hydroxy agomelatine is a metabolite of Agomelatine. 3-Hydroxy agomelatine is a 5-HT_2C receptor antagonist with an IC₅₀ of 3.2 μM and a K_i of 1.8 μM^[1].

IC₅₀ & Target^[1]

5-HT_2C Receptor

3.2 μM (IC₅₀)

5-HT_2C Receptor

1.8 μM (Ki)

In Vitro

Agomelatine and S 21517 have moderately high affinities for 5-HT_2C receptors (K_i = 0.21 μM and 0.13 μM, respectively). The metabolite 3-Hydroxy agomelatine (S 21540) has a 10-fold lower affinity (K_i = 1.8 μM). Agomelatine, S 21517 and 3-Hydroxy agomelatine (10^-7-10^-4 M) are antagonists at 5-HT_2C receptors, with a rank order of efficacy as follows: S 21517>Agomelatine>3-Hydroxy agomelatine^[1].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

Increasing doses (from 1.25 to 40 mg/kg, intraperitoneal injection) of 3-Hydroxy agomelatine (S 21540) does not affect the penile erections induced by mCPP and Ro 60-0175 in Wistar rat^[1].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

Molecular Weight

259.30

Formula

C₁₅H₁₇NO₃

CAS No.

166526-99-4

Appearance

Solid

Color

Off-white to light brown

SMILES

CC(NCCC1=C2C=C(OC)C=CC2=CC(O)=C1)=O

Shipping

Room temperature in continental US; may vary elsewhere.

Storage

Powder	-20°C	3 years
	4°C	2 years
In solvent	-80°C	6 months
	-20°C	1 month

Solvent & Solubility

In Vitro:

DMSO : 250 mg/mL (964.13 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	3.8565 mL	19.2827 mL	38.5654 mL
5 mM	0.7713 mL	3.8565 mL	7.7131 mL
10 mM	0.3857 mL	1.9283 mL	3.8565 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, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.

Molarity Calculator
Dilution Calculator

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 (8.02 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 (8.02 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:

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.

Purity & Documentation

Purity: 98.00%

Select Batch:

Data Sheet (275 KB) SDS (251 KB)

COA (251 KB) HNMR (233 KB) LCMS (257 KB)

Handling Instructions (2659 KB)

References

[1]. Chagraoui A, et al. Agomelatine(S 20098) antagonizes the penile erections induced by the stimulation of 5-HT2C receptors in Wistar rats. Psychopharmacology (Berl). 2003 Oct;170(1):17-22. [Content Brief]

Complete Stock Solution Preparation Table

Optional Solvent	Concentration Solvent Mass	1 mg	5 mg	10 mg	25 mg

DMSO	1 mM	3.8565 mL	19.2827 mL	38.5654 mL	96.4134 mL
	5 mM	0.7713 mL	3.8565 mL	7.7131 mL	19.2827 mL
	10 mM	0.3857 mL	1.9283 mL	3.8565 mL	9.6413 mL
	15 mM	0.2571 mL	1.2855 mL	2.5710 mL	6.4276 mL
	20 mM	0.1928 mL	0.9641 mL	1.9283 mL	4.8207 mL
	25 mM	0.1543 mL	0.7713 mL	1.5426 mL	3.8565 mL
	30 mM	0.1286 mL	0.6428 mL	1.2855 mL	3.2138 mL
	40 mM	0.0964 mL	0.4821 mL	0.9641 mL	2.4103 mL
	50 mM	0.0771 mL	0.3857 mL	0.7713 mL	1.9283 mL
	60 mM	0.0643 mL	0.3214 mL	0.6428 mL	1.6069 mL
	80 mM	0.0482 mL	0.2410 mL	0.4821 mL	1.2052 mL
	100 mM	0.0386 mL	0.1928 mL	0.3857 mL	0.9641 mL