1. Metabolic Enzyme/Protease
  2. Endogenous Metabolite
  3. Monoisobutyl phthalic acid-d4

Monoisobutyl phthalic acid-d4 

Cat. No.: HY-113220S Purity: 99.03%
COA Handling Instructions

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

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5 mg USD 220 In-stock
10 mg USD 350 In-stock
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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

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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.
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
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)

Mass
=
Concentration
×
Volume
×
Molecular Weight *

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

Concentration (start)

C1

×
Volume (start)

V1

=
Concentration (final)

C2

×
Volume (final)

V2

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.
In Vivo Dissolution Calculator
Please enter the basic information of animal experiments:

Dosage

mg/kg

Animal weight
(per animal)

g

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
References

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.

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
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Help & FAQs
  • Do most proteins show cross-species activity?

    Species cross-reactivity must be investigated individually for each product. Many human cytokines will produce a nice response in mouse cell lines, and many mouse proteins will show activity on human cells. Other proteins may have a lower specific activity when used in the opposite species.

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Product Name:
Monoisobutyl phthalic acid-d4
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HY-113220S
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