β-Thujaplicinol (Synonyms: 3-Hydroxy-5-isopropyltropolone)

Cat. No.: HY-W060316 Purity: 99.87%: Data Sheet
SDS

COA
Handling Instructions Technical Support

Solubility

In Vivo Dissolution Calculator

β-Thujaplicinol (3-Hydroxy-5-isopropyltropolone) is an inhibitor of hepatitis B virus (HBV) ribonuclease H. β-Thujaplicinol inhibits RNAseHs of HBV genotypes D and H with IC₅₀ values of 5.9 and 2.3 μM, respectively.

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

β-Thujaplicinol Chemical Structure

CAS No. : 29346-20-1

Size	Price	Stock	Quantity
5 mg	USD 94	In-stock	Estimated Time of Arrival: April 17
10 mg	USD 150	In-stock	Estimated Time of Arrival: April 17
25 mg	USD 260	In-stock	Estimated Time of Arrival: April 17
50 mg	USD 400	In-stock	Estimated Time of Arrival: April 17
100 mg	USD 600	In-stock	Estimated Time of Arrival: April 17
200 mg		Get quote
500 mg		Get quote

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Description

Cellular Effect

Cell Line	Type	Value	Description	References
MT4	CC₅₀	2.5 μM Compound: 1	Cytotoxicity against human MT4 cells assessed as reduction in cell viability measured after 5 days by MTT assay Cytotoxicity against human MT4 cells assessed as reduction in cell viability measured after 5 days by MTT assay	[PMID: 35780636]
MT4	CC₅₀	2.83 μM Compound: Fig 1, Cpd 2	Cytotoxicity in mock-infected human MT4 cells assessed as reduction in cell viability incubated for 5 days by MTT assay Cytotoxicity in mock-infected human MT4 cells assessed as reduction in cell viability incubated for 5 days by MTT assay	[PMID: 31324562]
Vero	CC₅₀	> 100 μM Compound: beta-thujaplicinol	Cytotoxicity against African green monkey Vero cells incubated for 24 hrs by MTT assay Cytotoxicity against African green monkey Vero cells incubated for 24 hrs by MTT assay	[PMID: 31391890]
Vero	EC₅₀	1.7 μM Compound: beta-thujaplicinol	Inhibition of NTS in HSV-2 infected in African green monkey Vero cells assessed as suppression of viral replication by measuring viral titer after 24 hrs by plaque reduction assay based phase contrast microscopy Inhibition of NTS in HSV-2 infected in African green monkey Vero cells assessed as suppression of viral replication by measuring viral titer after 24 hrs by plaque reduction assay based phase contrast microscopy	[PMID: 31391890]
Vero	EC₅₀	2 μM Compound: beta-thujaplicinol	Inhibition of NTS in HSV-1 infected in African green monkey Vero cells assessed as suppression of viral replication by measuring viral titer after 24 hrs by plaque reduction assay based phase contrast microscopy Inhibition of NTS in HSV-1 infected in African green monkey Vero cells assessed as suppression of viral replication by measuring viral titer after 24 hrs by plaque reduction assay based phase contrast microscopy	[PMID: 31391890]

Molecular Weight

180.20

Formula

C₁₀H₁₂O₃

CAS No.

29346-20-1

Appearance

Solid

Color

Off-white to light brown

SMILES

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

Structure Classification

Ketones, Aldehydes, Acids

Initial Source

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 : 100 mg/mL (554.94 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	5.5494 mL	27.7469 mL	55.4939 mL
5 mM	1.1099 mL	5.5494 mL	11.0988 mL
10 mM	0.5549 mL	2.7747 mL	5.5494 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: ≥ 2.5 mg/mL (13.87 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 (13.87 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 (13.87 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.

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, PEG300/PEG400, Tween 80. All of co-solvents are available by MedChemExpress (MCE).

Purity & Documentation

Purity: 99.87%

Select Batch:

Data Sheet (275 KB) SDS (393 KB)

COA (253 KB) HNMR (236 KB) LCMS (96 KB)

Handling Instructions (2659 KB)

References

[1]. Hu Y, et al. β-Thujaplicinol inhibits hepatitis B virus replication by blocking the viral ribonuclease H activity[J]. Antiviral research, 2013, 99(3): 221-229. [Content Brief]

Complete Stock Solution Preparation Table

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

DMSO	1 mM	5.5494 mL	27.7469 mL	55.4939 mL	138.7347 mL
	5 mM	1.1099 mL	5.5494 mL	11.0988 mL	27.7469 mL
	10 mM	0.5549 mL	2.7747 mL	5.5494 mL	13.8735 mL
	15 mM	0.3700 mL	1.8498 mL	3.6996 mL	9.2490 mL
	20 mM	0.2775 mL	1.3873 mL	2.7747 mL	6.9367 mL
	25 mM	0.2220 mL	1.1099 mL	2.2198 mL	5.5494 mL
	30 mM	0.1850 mL	0.9249 mL	1.8498 mL	4.6245 mL
	40 mM	0.1387 mL	0.6937 mL	1.3873 mL	3.4684 mL
	50 mM	0.1110 mL	0.5549 mL	1.1099 mL	2.7747 mL
	60 mM	0.0925 mL	0.4624 mL	0.9249 mL	2.3122 mL
	80 mM	0.0694 mL	0.3468 mL	0.6937 mL	1.7342 mL
	100 mM	0.0555 mL	0.2775 mL	0.5549 mL	1.3873 mL

β-Thujaplicinol Related Classifications

Infection

Keywords:

β-Thujaplicinol29346-20-13-Hydroxy-5-isopropyltropoloneHBVDNA/RNA SynthesisHepatitis B virusinhibitorsviral replicationnuclease HInhibitorinhibitorinhibit

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β-Thujaplicinol (Synonyms: 3-Hydroxy-5-isopropyltropolone)

β-Thujaplicinol Related Antibodies

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