SSD114 hydrochloride

Name: SSD114 hydrochloride
Brand: MedChemExpress
SKU: HY-103668A
Rating: 4.5 (1 reviews)

Cat. No.: HY-103668A Purity: 99.07%: FAQs
Data Sheet SDS COA Handling Instructions

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SSD114 hydrochloride is a novel GABA_B receptor positive allosteric modulator.

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

SSD114 hydrochloride Chemical Structure

CAS No. : 2319790-02-6

Size	Price	Stock	Quantity

Free Sample (0.1 - 0.5 mg)		Apply Now
Solid + Solvent
10 mM * 1 mL in DMSO ready for reconstitution	USD 165	In-stock	Estimated Time of Arrival: December 31
Solution
10 mM * 1 mL in DMSO	USD 165	In-stock	Estimated Time of Arrival: December 31
Solid
5 mg	USD 150	In-stock	Estimated Time of Arrival: December 31
10 mg	USD 240	In-stock	Estimated Time of Arrival: December 31
25 mg	USD 400	In-stock	Estimated Time of Arrival: December 31
50 mg	USD 580	In-stock	Estimated Time of Arrival: December 31
100 mg	USD 820	In-stock	Estimated Time of Arrival: December 31
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Customer Review

Based on 1 publication(s) in Google Scholar

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Biological Activity
Protocol
Purity & Documentation
References
Customer Review

Description

SSD114 hydrochloride is a novel GABA_B receptor positive allosteric modulator.

IC₅₀ & Target

GABA_B receptor^[1]

In Vitro

In the presence of 10 µM GABA, SSD114 hydrochloride at 25 µM significantly increases (to approximately 170% above basal levels) the [³⁵S]GTPγS stimulation induced by GABA alone. SSD114 hydrochloride, added at 15 and 30 µM, induces a leftward shift of the GABA concentration-response curve with a slight concomitant increase of maximal GABA stimulation at the highest concentration. In the presence of both 15 and 30 µM SSD114 hydrochloride, the EC₅₀ for GABA decreases by 2 and 2.5 fold, respectively, while the maximal stimulation (Emax) is potentiated only at the concentration of 30 µM, reaching 161±5.09% over the basal value^[1] .

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

In Vivo

The onset of loss of righting reflex (LORR) is reduced by pretreatment with SSD114 hydrochloride [F_(5,30)=4.55, P<0.005]. Post hoc analysis indicates that the onset of LORR is significantly lower in mouse groups pretreated with doses of SSD114 hydrochloride equal to or higher than 10 mg/kg than in vehicle-treated mice. The duration of LORR is increased by pretreatment with SSD114 hydrochloride [F_(5,30)=4.81, P<0.005]. Post hoc analysis indicates that the duration of LORR is significantly longer in mouse groups pretreated with 10 and 100 mg/kg SSD114 hydrochloride than in vehicle-treated mice^[1].

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

Molecular Weight

387.83

Formula

C₁₈H₂₁ClF₃N₃O

CAS No.

2319790-02-6

Appearance

Solid

Color

White to off-white

SMILES

FC(C1=CC=C(C2=CC(OC)=NC(NC3CCCCC3)=N2)C=C1)(F)F.[H]Cl

Shipping

Room temperature in continental US; may vary elsewhere.

Storage

4°C, sealed storage, away from moisture

*In solvent : -80°C, 6 months; -20°C, 1 month (sealed storage, away from moisture)

Solvent & Solubility

In Vitro:

DMSO : 130 mg/mL (335.20 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)

H₂O : 2 mg/mL (5.16 mM; ultrasonic and warming and heat to 60°C)

Preparing
Stock Solutions

Concentration Solvent Mass	1 mg	5 mg	10 mg

1 mM	2.5784 mL	12.8922 mL	25.7845 mL
5 mM	0.5157 mL	2.5784 mL	5.1569 mL
10 mM	0.2578 mL	1.2892 mL	2.5784 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 (sealed storage, away from moisture). When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.

* Note: If you choose water as the stock solution, please dilute it to the working solution, then filter and sterilize it with a 0.22 μm filter before use.

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

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: ≥ 3.25 mg/mL (8.38 mM); Clear solution

This protocol yields a clear solution of ≥ 3.25 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (32.5 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: 3.25 mg/mL (8.38 mM); Suspended solution; Need ultrasonic

This protocol yields a suspended solution of 3.25 mg/mL. Suspended solution can be used for oral and intraperitoneal injection.
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (32.5 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: ≥ 3.25 mg/mL (8.38 mM); Clear solution

This protocol yields a clear solution of ≥ 3.25 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 (32.5 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).

*In solvent : -80°C, 6 months; -20°C, 1 month (sealed storage, away from moisture)

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: 99.07%

Select Batch:

Data Sheet (275 KB) SDS (251 KB)

COA (247 KB) HNMR (193 KB) LCMS (402 KB)

Handling Instructions (2659 KB)

References

[1]. Porcu A, et al. In vitro and in vivo pharmacological characterization of SSD114, a novel GABAB positive allosteric modulator. Eur J Pharmacol. 2016 Nov 15;791:115-123. [Content Brief]

Cell Assay ^[1]	Cells are transfected and seeded into 96-well microplates. 24 h after transfection, cells are washed twice with PBS and incubated in the presence or absence of SSD114 hydrochloride (different concentrations) for 15 min before substrate addition in a 96-well microplate. The Bioluminescence resonance energy transfer (BRET) ratio is calculated as the emission of YFP (530 to 570 nm) over the emission of RLuc (370 to 470 nm). The curves are fitted using Graph Pad Prism 5.0. The amplitude-weighted mean time constant is obtained by fitting the BRET recovery phase to a double exponential function. ΔBRET is calculated as the difference between the basal and the plateau of the BRET signal^[1]. MCE has not independently confirmed the accuracy of these methods. They are for reference only.
Animal Administration ^[1]	Male Sprague-Dawley rats and DBA mice, weighing 200 to 250 and 20 to 25 g, respectively, are used. On the test day, mice are divided into six groups (n=6 each) matched by body weight. Mice are treated acutely and intraperitoneally with 0, 1, 3, 10, 30, and 100 mg/kg SSD114 hydrochloride and sedation/hypnosis is measured. Specifically, after baclofen injection, each mouse is placed on its back once every 60 s until it is unable to right itself within 60 s. The time between baclofen injection and the start of the 60-s interval during which the mouse is unable to right itself is measured as the onset of loss of righting reflex (LORR). Each mouse is then left undisturbed on its back until it spontaneously regained its righting reflex (determined as having at least three paws under its body). Complete recovery of the righting reflex is defined as the mouse being able to turn itself upright twice more within 60 s. If this criterion is not fulfilled, the mouse is left undisturbed until it spontaneously regained its righting reflex. The time between loss and recovery of righting reflex is monitored in each mouse and defined as the duration of LORR. Observations are conducted by an operator unaware of the drug treatment^[1]. MCE has not independently confirmed the accuracy of these methods. They are for reference only.
References	[1]. Porcu A, et al. In vitro and in vivo pharmacological characterization of SSD114, a novel GABAB positive allosteric modulator. Eur J Pharmacol. 2016 Nov 15;791:115-123. [Content Brief]

Complete Stock Solution Preparation Table

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

H₂O / DMSO	1 mM	2.5784 mL	12.8922 mL	25.7845 mL	64.4612 mL
H₂O / DMSO	5 mM	0.5157 mL	2.5784 mL	5.1569 mL	12.8922 mL
DMSO	10 mM	0.2578 mL	1.2892 mL	2.5784 mL	6.4461 mL
	15 mM	0.1719 mL	0.8595 mL	1.7190 mL	4.2974 mL
	20 mM	0.1289 mL	0.6446 mL	1.2892 mL	3.2231 mL
	25 mM	0.1031 mL	0.5157 mL	1.0314 mL	2.5784 mL
	30 mM	0.0859 mL	0.4297 mL	0.8595 mL	2.1487 mL
	40 mM	0.0645 mL	0.3223 mL	0.6446 mL	1.6115 mL
	50 mM	0.0516 mL	0.2578 mL	0.5157 mL	1.2892 mL
	60 mM	0.0430 mL	0.2149 mL	0.4297 mL	1.0744 mL
	80 mM	0.0322 mL	0.1612 mL	0.3223 mL	0.8058 mL
	100 mM	0.0258 mL	0.1289 mL	0.2578 mL	0.6446 mL

* Note: If you choose water as the stock solution, please dilute it to the working solution, then filter and sterilize it with a 0.22 μm filter before use.