Monoisobutyl phthalic acid-d₄

Name: Monoisobutyl phthalic acid-d 4
Brand: MedChemExpress
SKU: HY-113220S
Rating: 4.5 (1 reviews)

Cat. No.: HY-113220S Purity: 99.03%: FAQs
Data Sheet SDS COA Handling Instructions

Molarity Calculator

Monoisobutyl phthalic acid-d₄ is the deuterium labeled Monoisobutyl phthalic acid[1]. Monoisobutyl phthalic acid is a phthalate metabolite that is in human semen and in meconium[2].

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

Monoisobutyl phthalic acid-d<sub>4</sub> Chemical Structure

Monoisobutyl phthalic acid-d₄ Chemical Structure

CAS No. : 1219802-26-2

Size	Price	Stock	Quantity
5 mg	USD 220	In-stock	Estimated Time of Arrival: December 31
10 mg	USD 350	In-stock	Estimated Time of Arrival: December 31
50 mg		Get quote
100 mg		Get quote

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Based on 1 publication(s) in Google Scholar

Other Forms of Monoisobutyl phthalic acid-d₄:

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Purity & Documentation
References
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Description

Monoisobutyl phthalic acid-d₄ is the deuterium labeled Monoisobutyl phthalic acid[1]. Monoisobutyl phthalic acid is a phthalate metabolite that is in human semen and in meconium[2].

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

226.26

Formula

C₁₂H₁₀D₄O₄

CAS No.

1219802-26-2

Unlabeled CAS

30833-53-5

Appearance

Solid

Color

White to off-white

SMILES

CC(C)COC(C1=C(C([2H])=C([2H])C([2H])=C1[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 : 100 mg/mL (441.97 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	4.4197 mL	22.0985 mL	44.1969 mL
5 mM	0.8839 mL	4.4197 mL	8.8394 mL
10 mM	0.4420 mL	2.2098 mL	4.4197 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 (11.05 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 (11.05 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 (11.05 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, . 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: 99.03%

Select Batch:

Data Sheet (274 KB) SDS (251 KB)

COA (251 KB) HNMR (156 KB) RP-HPLC (343 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]. Kato K, et al. Quantifying phthalate metabolites in human meconium and semen using automated off-line solid-phase extraction coupled with on-line SPE and isotope-dilution high-performance liquid chromatography--tandem mass spectrometry. Anal Chem. 2006 Sep 15;78(18):6651-5. [Content Brief]

Complete Stock Solution Preparation Table

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

DMSO	1 mM	4.4197 mL	22.0985 mL	44.1969 mL	110.4924 mL
	5 mM	0.8839 mL	4.4197 mL	8.8394 mL	22.0985 mL
	10 mM	0.4420 mL	2.2098 mL	4.4197 mL	11.0492 mL
	15 mM	0.2946 mL	1.4732 mL	2.9465 mL	7.3662 mL
	20 mM	0.2210 mL	1.1049 mL	2.2098 mL	5.5246 mL
	25 mM	0.1768 mL	0.8839 mL	1.7679 mL	4.4197 mL
	30 mM	0.1473 mL	0.7366 mL	1.4732 mL	3.6831 mL
	40 mM	0.1105 mL	0.5525 mL	1.1049 mL	2.7623 mL
	50 mM	0.0884 mL	0.4420 mL	0.8839 mL	2.2098 mL
	60 mM	0.0737 mL	0.3683 mL	0.7366 mL	1.8415 mL
	80 mM	0.0552 mL	0.2762 mL	0.5525 mL	1.3812 mL
	100 mM	0.0442 mL	0.2210 mL	0.4420 mL	1.1049 mL