Thymohydroquinone

Cat. No.: HY-W196368 Purity: 99.91%: Data Sheet
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Thymohydroquinone is a COX-2 inhibitor and anti-SARS-CoV-2 agent that induces cytotoxicity, antiproliferative effects and inhibits tumor growth. Thymohydroquinone cannot scavenge superoxide radicals via σ (hydrogen atom transfer) and π-π attacks with superoxide anions. Thymohydroquinone can be used in research related to squamous cell carcinoma, fibrosarcoma and coronavirus disease 2019 (SARS-CoV-2 infection).

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

Thymohydroquinone Chemical Structure

CAS No. : 2217-60-9

Size	Stock	Quantity
10 mg	In-stock	Estimated Time of Arrival: December 31
25 mg	In-stock	Estimated Time of Arrival: December 31
50 mg	In-stock	Estimated Time of Arrival: December 31
100 mg	Get quote
200 mg	Get quote

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COX COX-1 COX-2 COX-3

Biological Activity
Purity & Documentation
References
Customer Review

Description

IC₅₀ & Target

COX-2

Cellular Effect

Cell Line	Type	Value	Description	References
A2780	IC₅₀	3.1 μM Compound: 18	Growth inhibition of human A2780 cells after 72 hrs by SRB assay Growth inhibition of human A2780 cells after 72 hrs by SRB assay	[PMID: 29519737]
A2780cis	IC₅₀	9.8 μM Compound: 18	Growth inhibition of human A2780cis cells after 72 hrs by SRB assay Growth inhibition of human A2780cis cells after 72 hrs by SRB assay	[PMID: 29519737]
OVCAR-8	IC₅₀	8.9 μM Compound: 18	Growth inhibition of human OVCAR8 cells after 72 hrs by SRB assay Growth inhibition of human OVCAR8 cells after 72 hrs by SRB assay	[PMID: 29519737]

In Vitro

Thymohydroquinone (0.01-0.1 mg/mL; 24 h) exhibits dose-dependent, statistically significant cytotoxic activity against L929 mouse fibroblast cells, SCC VII mouse squamous cell carcinoma cells, and FsaR mouse fibrosarcoma cells^[1].
Thymohydroquinone inhibits SARS-CoV-2 in VERO-E6 cells with an IC₅₀ of 23.15 ng/mL^[2].

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

Cell Cytotoxicity Assay^[1]

Cell Line:	L929 mouse fibroblasts, SCC VII mouse squamous cell carcinoma cells, FsaR mouse fibrosarcoma cells
Concentration:	0.01-0.1 mg/mL
Incubation Time:	24 h
Result:	Induced 21% cell growth inhibition in L929 cells, 17% cell growth inhibition in SCC VII cells, and 15% cell growth inhibition in FsaR cells at 0.01 mg/mL. Induced 63% cell growth inhibition in L929 cells, 87% cell growth inhibition in SCC VII cells, and 92% cell growth inhibition in FsaR cells at 0.1 mg/mL. Showed statistically significant (p < 0.01) dose-dependent cytotoxic activity, with greater inhibition against tumor cell lines (SCC VII, FsaR) than against normal L929 fibroblasts at the 0.1 mg/mL concentration.

In Vivo

Thymohydroquinone (5 mg/kg per injection; total cumulative 20 mg/kg; intratumoral; on days 3, 4, 5, 11 post-tumor cell inoculation) exhibits statistically significant in vivo antitumor activity^[1].

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

Animal Model:	C3HHf/BuZgr/Hr (male, 3 months old; fibrosarcoma or squamous cell carcinoma cell subcutaneous transplantation)^[1]
Dosage:	5 mg/kg per injection; total cumulative dose of 20 mg/kg
Administration:	intratumoral; on days 3, 4, 5, 11 post-tumor cell inoculation
Result:	Achieved a tumor growth inhibition (TGI) of up to 49% against SCC VII tumors and up to 33% against FsaR tumors. Showed statistically significant differences in tumor growth compared with control mice (p < 0.05) at multiple time points post-inoculation. Exhibited no statistically significant difference in in vivo antitumor activity compared with thymoquinone.

Molecular Weight

166.22

Formula

C₁₀H₁₄O₂

CAS No.

2217-60-9

Appearance

Solid

Color

White to off-white

SMILES

OC1=CC(C(C)C)=C(O)C=C1C

Structure Classification

Initial Source

Shipping

Room temperature in continental US; may vary elsewhere.

Storage

4°C, protect from light

*In solvent : -80°C, 6 months; -20°C, 1 month (protect from light)

Solvent & Solubility

In Vitro:

H₂O : 1 mg/mL (6.02 mM; ultrasonic and warming and heat to 60°C)

DMSO : 1 mg/mL (6.02 mM; Need ultrasonic and warming; 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	6.0161 mL	30.0806 mL	60.1612 mL
5 mM	1.2032 mL	6.0161 mL	12.0322 mL
10 mM	---	---	---

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 (protect from light). 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

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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.

Calculation results:

Working solution concentration: mg/mL

Purity & Documentation

Purity: 99.91%

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Data Sheet (276 KB) SDS (393 KB)

COA (248 KB) HNMR (101 KB) CNMR (98 KB) RP-HPLC (250 KB) MS (90 KB)

Handling Instructions (2659 KB)

References

[1]. Ivankovic S, et al. The antitumor activity of thymoquinone and thymohydroquinone in vitro and in vivo. Exp Oncol. 2006;28(3):220-224. [Content Brief]

[2]. Esharkawy ER, et al. In vitro potential antiviral SARS-CoV-19- activity of natural product thymohydroquinone and dithymoquinone from Nigella sativa. Bioorg Chem. 2022;120:105587. [Content Brief]

[3]. Sakib R, et al. Antioxidant Properties of Thymoquinone, Thymohydroquinone and Black Cumin (Nigella sativa L.) Seed Oil: Scavenging of Superoxide Radical Studied Using Cyclic Voltammetry, DFT and Single Crystal X-ray Diffraction. Antioxidants (Basel). 2023;12(3):607. Published 2023 Mar 1. [Content Brief]

Complete Stock Solution Preparation Table

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

H₂O / DMSO	1 mM	6.0161 mL	30.0806 mL	60.1612 mL	150.4031 mL
H₂O / DMSO	5 mM	1.2032 mL	6.0161 mL	12.0322 mL	30.0806 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.