trans-trans-Muconic acid-d₄

Name: trans-trans-Muconic acid-d 4
Brand: MedChemExpress
SKU: HY-113247S
Rating: 4.5 (1 reviews)

Cat. No.: HY-113247S Purity: 99.80%: FAQs
Data Sheet SDS COA Handling Instructions

Molarity Calculator

trans-trans-Muconic acid-d₄ is the deuterium labeled trans-trans-Muconic acid[1]. trans-trans-Muconic acid is a urinary metabolite of benzene and has been used as a biomarker of exposure to benzene in human[2].

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

trans-trans-Muconic acid-d<sub>4</sub> Chemical Structure

trans-trans-Muconic acid-d₄ Chemical Structure

CAS No. : 1955496-83-9

Size	Price	Stock	Quantity
1 mg	USD 170	In-stock	Estimated Time of Arrival: December 31
5 mg		Get quote
10 mg		Get quote

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Based on 1 publication(s) in Google Scholar

Other Forms of trans-trans-Muconic acid-d₄:

trans-trans-Muconic acid In-stock
Muconic acid-d₄ Get quote

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Purity & Documentation
References
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Description

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

146.13

Formula

C₆H₂D₄O₄

CAS No.

1955496-83-9

Unlabeled CAS

3588-17-8

Appearance

Solid

Color

White to off-white

SMILES

OC(/C([2H])=C([2H])/C([2H])=C([2H])/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 : ≥ 50 mg/mL (342.16 mM; 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	6.8432 mL	34.2161 mL	68.4322 mL
5 mM	1.3686 mL	6.8432 mL	13.6864 mL
10 mM	0.6843 mL	3.4216 mL	6.8432 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.

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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 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: 99.80%

Select Batch:

Data Sheet (270 KB) SDS (251 KB)

COA (246 KB) HNMR (716 KB) RP-HPLC (923 KB)

Handling Instructions (2659 KB)

References

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

[2]. Bartczak A, ET AL. Evaluation of assays for the identification and quantitation of muconic acid, a benzene metabolite in human urine. J Toxicol Environ Health. 1994 Jul;42(3):245-58. [Content Brief]

Complete Stock Solution Preparation Table

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

DMSO	1 mM	6.8432 mL	34.2161 mL	68.4322 mL	171.0805 mL
	5 mM	1.3686 mL	6.8432 mL	13.6864 mL	34.2161 mL
	10 mM	0.6843 mL	3.4216 mL	6.8432 mL	17.1081 mL
	15 mM	0.4562 mL	2.2811 mL	4.5621 mL	11.4054 mL
	20 mM	0.3422 mL	1.7108 mL	3.4216 mL	8.5540 mL
	25 mM	0.2737 mL	1.3686 mL	2.7373 mL	6.8432 mL
	30 mM	0.2281 mL	1.1405 mL	2.2811 mL	5.7027 mL
	40 mM	0.1711 mL	0.8554 mL	1.7108 mL	4.2770 mL
	50 mM	0.1369 mL	0.6843 mL	1.3686 mL	3.4216 mL
	60 mM	0.1141 mL	0.5703 mL	1.1405 mL	2.8513 mL
	80 mM	0.0855 mL	0.4277 mL	0.8554 mL	2.1385 mL
	100 mM	0.0684 mL	0.3422 mL	0.6843 mL	1.7108 mL