Terephthalic acid-¹³C₂

Name: Terephthalic acid- 13 C 2
Brand: MedChemExpress
SKU: HY-W010098S1
Rating: 4.5 (1 reviews)

Cat. No.: HY-W010098S1 Purity: 98.58%: FAQs
Data Sheet SDS COA Handling Instructions

Molarity Calculator

Terephthalic acid-¹³C₂ is the ¹³C-labeled Terephthalic acid. 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-<sup>13</sup>C<sub>2</sub> Chemical Structure

Terephthalic acid-¹³C₂ Chemical Structure

CAS No. : 121191-53-5

Size	Price	Stock	Quantity
1 mg	USD 50	In-stock	Estimated Time of Arrival: December 31
5 mg	USD 135	In-stock	Estimated Time of Arrival: December 31
10 mg	USD 220	In-stock	Estimated Time of Arrival: December 31
50 mg		Get quote
100 mg		Get quote

or Bulk Inquiry

* Please select Quantity before adding items.

This product is a controlled substance and not for sale in your territory.

Customer Review

Based on 1 publication(s) in Google Scholar

Other Forms of Terephthalic acid-¹³C₂:

Terephthalic acid In-stock

Featured Recommendations

•Related Small Molecules:

•Related Proteins:

Biological Activity
Purity & Documentation
References
Customer Review

Description

Terephthalic acid-¹³C₂ is the ¹³C-labeled Terephthalic acid. Terephthalic acid is one isomer of the three phthalic, a precursor to the polyester PET, used to make clothing and plastic bottles.

In Vitro

Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and metabolic profiles of drugs^[1].

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

Molecular Weight

168.12

Formula

C₆¹³C₂H₆O₄

CAS No.

121191-53-5

Appearance

Solid

Color

White to off-white

SMILES

OC([13C]1=CC=[13C](C=C1)C(O)=O)=O

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 : 125 mg/mL (743.52 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	5.9481 mL	29.7407 mL	59.4813 mL
5 mM	1.1896 mL	5.9481 mL	11.8963 mL
10 mM	0.5948 mL	2.9741 mL	5.9481 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

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% Corn Oil
Solubility: ≥ 2.08 mg/mL (12.37 mM); Clear solution

This protocol yields a clear solution of ≥ 2.08 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 (20.8 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: 98.58%

Select Batch:

Data Sheet (272 KB) SDS (251 KB)

COA (249 KB) HNMR (252 KB) RP-HPLC (230 KB) MS (71 KB)

Handling Instructions (2659 KB)

References

[1]. Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53(2):211-216. [Content Brief]

[2]. 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]

Complete Stock Solution Preparation Table

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

DMSO	1 mM	5.9481 mL	29.7407 mL	59.4813 mL	148.7033 mL
	5 mM	1.1896 mL	5.9481 mL	11.8963 mL	29.7407 mL
	10 mM	0.5948 mL	2.9741 mL	5.9481 mL	14.8703 mL
	15 mM	0.3965 mL	1.9827 mL	3.9654 mL	9.9136 mL
	20 mM	0.2974 mL	1.4870 mL	2.9741 mL	7.4352 mL
	25 mM	0.2379 mL	1.1896 mL	2.3793 mL	5.9481 mL
	30 mM	0.1983 mL	0.9914 mL	1.9827 mL	4.9568 mL
	40 mM	0.1487 mL	0.7435 mL	1.4870 mL	3.7176 mL
	50 mM	0.1190 mL	0.5948 mL	1.1896 mL	2.9741 mL
	60 mM	0.0991 mL	0.4957 mL	0.9914 mL	2.4784 mL
	80 mM	0.0744 mL	0.3718 mL	0.7435 mL	1.8588 mL
	100 mM	0.0595 mL	0.2974 mL	0.5948 mL	1.4870 mL