Terephthalic acid

Name: Terephthalic acid
Brand: MedChemExpress
SKU: HY-W010098
Rating: 4.5 (1 reviews)

Cat. No.: HY-W010098 Purity: 99.93%: FAQs
Data Sheet SDS COA Handling Instructions Technical Support

Terephthalic acid is one isomer of the three phthalic, a precursor to the polyester PET, used to make clothing and plastic bottles.

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

Terephthalic acid Chemical Structure

CAS No. : 100-21-0

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10 mM * 1 mL in DMSO ready for reconstitution	In-stock	Estimated Time of Arrival: December 31
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10 mM * 1 mL in DMSO	In-stock	Estimated Time of Arrival: December 31
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Based on 1 publication(s) in Google Scholar

Other Forms of Terephthalic acid:

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Biological Activity
Purity & Documentation
References
Customer Review

Description

Terephthalic acid is one isomer of the three phthalic, a precursor to the polyester PET, used to make clothing and plastic bottles.

In Vivo

Terephthalic acid can be used in animal modeling to create skin tumor models. In experiments, Terephthalic acid is administered orally to weanling and adult mice, exhibiting distinct pharmacokinetic features. Terephthalic acid is metabolized in the body to form calcium terephthalate or calcium hydrogen terephthalate, leading to oversaturation in the urine and promoting the formation of bladder stones. The lithogenic effect of Terephthalic acid is more pronounced in weanling mice than in adults, and its effect on bladder stone formation is more significant at higher doses (1000 mg/kg/day), with no noticeable effects observed at a dose of 142 mg/kg/day. The safe dosage range for Terephthalic acid in terms of inducing lithogenesis is: oral administration not exceeding 0.5 mg/kg/day, and a total concentration in drinking water not exceeding 3 mg/L.

Induction of skin tumor^[2]

Background

Terephthalic acid can promote excessive cell proliferation and induce skin tumor formation by disrupting the p16-cyclin D1/Cdk4-Rb cell cycle regulatory pathway^[3].

Specific Mmodeling Methods

Mice: C57BL/6• male and female • 8-10 weeks old
Administration: 10 μg/mouse • topical application • refer to the note for details on the administration method

Note

(1) The K14Cre^ER-Cenp-50/U^fl/fl mice used in the experiment are for conditional knockout of Cenp-50/U and are on a C57BL/6 background.
(2) DMBA and Terephthalic acid combined administration: Shave the backs of 8-10 week old mice, first apply DMBA (HY-W011845) (25 μg per mouse, dissolved in 200 μL of acetone) to the shaved dorsal skin, then apply Terephthalic acid (10 μg per mouse, dissolved in 200 μL of acetone) on the 3rd day after the first DMBA treatment.
(3) After 4 rounds of the above DMBA and Terephthalic acid combined treatment, mice receive Terephthalic acid (10 μg per mouse, dissolved in 200 μL of acetone) alone twice weekly for 20 weeks.

Modeling Indicators

Phenotypic Observations: Skin tumors in mice, including papillomas and carcinomas.

Correlated Product(s): DMBA (HY-W011845)

Opposite Product(s): /

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

Molecular Weight

166.13

Formula

C₈H₆O₄

CAS No.

100-21-0

Appearance

Solid

Color

White to off-white

SMILES

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

Structure Classification

Ketones, Aldehydes, Acids

Initial Source

Endogenous metabolite

Shipping

Room temperature in continental US; may vary elsewhere.

Storage

Store at room temperature 3 years

In solvent	-80°C	2 years
	-20°C	1 year

Solvent & Solubility

In Vitro:

DMSO : 20 mg/mL (120.39 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	6.0193 mL	30.0965 mL	60.1931 mL
5 mM	1.2039 mL	6.0193 mL	12.0386 mL
10 mM	0.6019 mL	3.0097 mL	6.0193 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, 2 years; -20°C, 1 year. When stored at -80°C, please use it within 2 years. When stored at -20°C, please use it within 1 year.

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 90% (20% SBE-β-CD in Saline)
Solubility: 2 mg/mL (12.04 mM); Suspended solution; Need ultrasonic

This protocol yields a suspended solution of 2 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 (20.0 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 2

Add each solvent one by one: 10% DMSO 90% Corn Oil
Solubility: ≥ 2 mg/mL (12.04 mM); Clear solution

This protocol yields a clear solution of ≥ 2 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 (20.0 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, . 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: 99.99%

Select Batch:

Data Sheet (277 KB) SDS (393 KB)

COA (246 KB) HNMR (113 KB) RP-HPLC (229 KB)

Handling Instructions (2659 KB)

References

[1]. Heck HD, et al. The induction of bladder stones by terephthalic acid, dimethyl terephthalate, and melamine (2,4,6-triamino-s-triazine) and its relevance to risk assessment. Regul Toxicol Pharmacol. 1985 Sep;5(3):294-313. [Content Brief]

[2]. Saito M, et al. CENP-50 is required for papilloma development in the two-stage skin carcinogenesis model. Cancer Sci. 2020 Aug;111(8):2850-2860. [Content Brief]

[3]. Cui L, et al. Deregulation of the p16-cyclin D1/cyclin-dependent kinase 4-retinoblastoma pathway involved in the rat bladder carcinogenesis induced by terephthalic acid-calculi. Urol Res. 2006 Oct;34(5):321-8. [Content Brief]

[4]. Ball GL, et al. Toxicological review and oral risk assessment of terephthalic acid (TPA) and its esters: A category approach. Crit Rev Toxicol. 2012 Jan;42(1):28-67. [Content Brief]

Complete Stock Solution Preparation Table

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

DMSO	1 mM	6.0193 mL	30.0965 mL	60.1931 mL	150.4827 mL
	5 mM	1.2039 mL	6.0193 mL	12.0386 mL	30.0965 mL
	10 mM	0.6019 mL	3.0097 mL	6.0193 mL	15.0483 mL
	15 mM	0.4013 mL	2.0064 mL	4.0129 mL	10.0322 mL
	20 mM	0.3010 mL	1.5048 mL	3.0097 mL	7.5241 mL
	25 mM	0.2408 mL	1.2039 mL	2.4077 mL	6.0193 mL
	30 mM	0.2006 mL	1.0032 mL	2.0064 mL	5.0161 mL
	40 mM	0.1505 mL	0.7524 mL	1.5048 mL	3.7621 mL
	50 mM	0.1204 mL	0.6019 mL	1.2039 mL	3.0097 mL
	60 mM	0.1003 mL	0.5016 mL	1.0032 mL	2.5080 mL
	80 mM	0.0752 mL	0.3762 mL	0.7524 mL	1.8810 mL
	100 mM	0.0602 mL	0.3010 mL	0.6019 mL	1.5048 mL