EST64454 hydrochloride

Name: EST64454 hydrochloride
Brand: MedChemExpress
SKU: HY-131914A
Rating: 4.5 (1 reviews)

Cat. No.: HY-131914A Purity: 99.19%: FAQs
Data Sheet SDS COA Handling Instructions

Molarity Calculator

EST64454 hydrochloride is a selective and orally active sigma-1 receptor antagonist with a K_i of 22 nM. EST64454 hydrochloride has the potential for the research of the pain.

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

EST64454 hydrochloride Chemical Structure

CAS No. : 1950569-11-5

Size	Price	Stock	Quantity
1 mg	USD 166	In-stock	Estimated Time of Arrival: December 31
5 mg	USD 350	In-stock	Estimated Time of Arrival: December 31
10 mg	USD 550	In-stock	Estimated Time of Arrival: December 31
25 mg	USD 950	In-stock	Estimated Time of Arrival: December 31
50 mg	USD 1450	In-stock	Estimated Time of Arrival: December 31
100 mg	USD 2250	In-stock	Estimated Time of Arrival: December 31
200 mg		Get quote
500 mg		Get quote

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Customer Review

Based on 1 publication(s) in Google Scholar

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Biological Activity
Purity & Documentation
References
Customer Review

Description

EST64454 hydrochloride is a selective and orally active sigma-1 receptor antagonist with a K_i of 22 nM. EST64454 hydrochloride has the potential for the research of the pain^[1].

In Vivo

EST64454 (10 mg/kg; p.o.; male Wistar rats) treatment shows the C_max, t_1/2, AUC_0-∞, V_ss and F% are 771 ng/mL, 3.4 hours, 1431 ng h/mL, 4.4 l/kg and 69%, respectively^[1].
EST64454 (10 mg/kg; p.o.; male CD1 mice) treatment shows the C_max, t_1/2, AUC_0-∞, V_ss and F% were 1178 ng/mL, <1 hours, 2645 ng h/mL, 1.2 l/kg and 60%, respectively^[1].

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

Animal Model:	Male Wistar rats (250-300 g)^[1]
Dosage:	10 mg/kg
Administration:	P.o. (Pharmacokinetic Analysis)
Result:	The C_max, t_1/2, AUC_0-∞, V_ss and F% were 771 ng/mL, 3.4 hours, 1431 ng h/mL, 4.4 l/kg and 69%, respectively.

Molecular Weight

400.85

Formula

C₁₈H₂₃ClF₂N₄O₂

CAS No.

1950569-11-5

Appearance

Solid

Color

White to off-white

SMILES

CC(N1CCN(CCOCC2=NN(C3=CC=C(F)C(F)=C3)C=C2)CC1)=O.[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:

H₂O : ≥ 100 mg/mL (249.47 mM)

DMSO : 100 mg/mL (249.47 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)

*"≥" means soluble, but saturation unknown.

Preparing
Stock Solutions

Concentration Solvent Mass	1 mg	5 mg	10 mg

1 mM	2.4947 mL	12.4735 mL	24.9470 mL
5 mM	0.4989 mL	2.4947 mL	4.9894 mL
10 mM	0.2495 mL	1.2473 mL	2.4947 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: ≥ 2.5 mg/mL (6.24 mM); Clear solution

This protocol yields a clear solution of ≥ 2.5 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 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: ≥ 2.5 mg/mL (6.24 mM); Clear solution

This protocol yields a clear solution of ≥ 2.5 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 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: ≥ 2.5 mg/mL (6.24 mM); Clear solution

This protocol yields a clear solution of ≥ 2.5 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 (25.0 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.

Calculation results:

Working solution concentration: mg/mL

This product has good water solubility, please refer to the measured solubility data in water/PBS/Saline for details.

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).

Purity & Documentation

Purity: 99.19%

Select Batch:

Data Sheet (271 KB) SDS (251 KB)

COA (245 KB) HNMR (281 KB) LCMS (96 KB)

Handling Instructions (2659 KB)

References

[1]. Díaz JL, et al. EST64454: a Highly Soluble σ1 Receptor Antagonist Clinical Candidate for Pain Management. J Med Chem. 2020;63(23):14979-14988. [Content Brief]

Complete Stock Solution Preparation Table

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

H₂O / DMSO	1 mM	2.4947 mL	12.4735 mL	24.9470 mL	62.3675 mL
	5 mM	0.4989 mL	2.4947 mL	4.9894 mL	12.4735 mL
	10 mM	0.2495 mL	1.2473 mL	2.4947 mL	6.2367 mL
	15 mM	0.1663 mL	0.8316 mL	1.6631 mL	4.1578 mL
	20 mM	0.1247 mL	0.6237 mL	1.2473 mL	3.1184 mL
	25 mM	0.0998 mL	0.4989 mL	0.9979 mL	2.4947 mL
	30 mM	0.0832 mL	0.4158 mL	0.8316 mL	2.0789 mL
	40 mM	0.0624 mL	0.3118 mL	0.6237 mL	1.5592 mL
	50 mM	0.0499 mL	0.2495 mL	0.4989 mL	1.2473 mL
	60 mM	0.0416 mL	0.2079 mL	0.4158 mL	1.0395 mL
	80 mM	0.0312 mL	0.1559 mL	0.3118 mL	0.7796 mL
	100 mM	0.0249 mL	0.1247 mL	0.2495 mL	0.6237 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.