1. Others
  2. Isotope-Labeled Compounds
  3. Aprepitant-d4

Aprepitant-d4 is the deuterium labeled Aprepitant[1].

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

Aprepitant-d<sub>4</sub> Chemical Structure

Aprepitant-d4 Chemical Structure

CAS No. : 1133387-60-6

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Based on 1 publication(s) in Google Scholar

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Description

Aprepitant-d4 is the deuterium labeled Aprepitant[1].

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

538.45

Formula

C23H17D4F7N4O3

CAS No.
Unlabeled CAS

170729-80-3

Appearance

Solid

Color

White to off-white

SMILES

O=C1NC(CN2[C@H]([C@H](OCC2)O[C@@H](C3=CC(C(F)(F)F)=CC(C(F)(F)F)=C3)C)C4=C(C([2H])=C(C([2H])=C4[2H])F)[2H])=NN1

Shipping

Room temperature in continental US; may vary elsewhere.

Storage
Powder -20°C 3 years
In solvent -80°C 6 months
-20°C 1 month
Solvent & Solubility
In Vitro: 

DMSO : 100 mg/mL (185.72 mM; Need ultrasonic and warming; 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 1.8572 mL 9.2859 mL 18.5718 mL
5 mM 0.3714 mL 1.8572 mL 3.7144 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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Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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

This equation is commonly abbreviated as: C1V1 = C2V2

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Volume (start)

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Concentration (final)

C2

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V2

In Vivo Dissolution Calculator
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Calculation results:
Working solution concentration: mg/mL
Purity & Documentation

Purity: ≥99.0%

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 1.8572 mL 9.2859 mL 18.5718 mL 46.4296 mL
5 mM 0.3714 mL 1.8572 mL 3.7144 mL 9.2859 mL
10 mM 0.1857 mL 0.9286 mL 1.8572 mL 4.6430 mL
15 mM 0.1238 mL 0.6191 mL 1.2381 mL 3.0953 mL
20 mM 0.0929 mL 0.4643 mL 0.9286 mL 2.3215 mL
25 mM 0.0743 mL 0.3714 mL 0.7429 mL 1.8572 mL
30 mM 0.0619 mL 0.3095 mL 0.6191 mL 1.5477 mL
40 mM 0.0464 mL 0.2321 mL 0.4643 mL 1.1607 mL
50 mM 0.0371 mL 0.1857 mL 0.3714 mL 0.9286 mL
60 mM 0.0310 mL 0.1548 mL 0.3095 mL 0.7738 mL
80 mM 0.0232 mL 0.1161 mL 0.2321 mL 0.5804 mL
100 mM 0.0186 mL 0.0929 mL 0.1857 mL 0.4643 mL
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  • 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:
Aprepitant-d4
Cat. No.:
HY-115397
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