2,2-Dimethylbutanoic acid-d₁₁

Name: 2,2-Dimethylbutanoic acid-d 11
Brand: MedChemExpress
SKU: HY-W015881S
Rating: 4.5 (1 reviews)

Cat. No.: HY-W015881S Purity: 99.09%: FAQs
Data Sheet SDS COA Handling Instructions Technical Support

2,2-Dimethylbutanoic acid-d₁₁ is the deuterium labeled 2,2-Dimethylbutanoic acid[1].

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

2,2-Dimethylbutanoic acid-d<sub>11</sub> Chemical Structure

2,2-Dimethylbutanoic acid-d₁₁ Chemical Structure

CAS No. : 1219804-04-2

Size	Stock	Quantity
5 mg	In-stock	Estimated Time of Arrival: December 31
10 mg	In-stock	Estimated Time of Arrival: December 31
25 mg	In-stock	Estimated Time of Arrival: December 31
50 mg	In-stock	Estimated Time of Arrival: December 31
100 mg	In-stock	Estimated Time of Arrival: December 31
200 mg	Get quote
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Based on 1 publication(s) in Google Scholar

Other Forms of 2,2-Dimethylbutanoic acid-d₁₁:

Dimebutic acid Get quote

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Biological Activity
Purity & Documentation
References
Customer Review

Description

2,2-Dimethylbutanoic acid-d₁₁ is the deuterium labeled 2,2-Dimethylbutanoic acid[1].

Cellular Effect

Cell Line	Type	Value	Description	References
Hepatocyte	EC₅₀	0.8 μM Compound: 10; HST5040A	Reduction of 2-Methylcitric acid in human hepatocytes derived from methylmalonic acidemia patient pretreated for 30 mins followed by 13C-isoleucine addition and measured after 1 hr by MS/MS analysis Reduction of 2-Methylcitric acid in human hepatocytes derived from methylmalonic acidemia patient pretreated for 30 mins followed by 13C-isoleucine addition and measured after 1 hr by MS/MS analysis	[PMID: 33848153]
Hepatocyte	EC₅₀	0.94 μM Compound: 10; HST5040A	Reduction of propionyl-CoA in human hepatocytes derived from propionic acidemia patient pretreated for 30 mins followed by 13C-isoleucine addition and measured after 1 hr by MS/MS analysis Reduction of propionyl-CoA in human hepatocytes derived from propionic acidemia patient pretreated for 30 mins followed by 13C-isoleucine addition and measured after 1 hr by MS/MS analysis	[PMID: 33848153]
Hepatocyte	EC₅₀	1.1 μM Compound: 10; HST5040A	Reduction of 2-Methylcitric acid in human hepatocytes derived from propionic acidemia patient pretreated for 30 mins followed by 13C-isoleucine addition and measured after 1 hr by MS/MS analysis Reduction of 2-Methylcitric acid in human hepatocytes derived from propionic acidemia patient pretreated for 30 mins followed by 13C-isoleucine addition and measured after 1 hr by MS/MS analysis	[PMID: 33848153]
Hepatocyte	EC₅₀	1.4 μM Compound: 10; HST5040A	Reduction of propionyl carnitine in human hepatocytes derived from methylmalonic acidemia patient pretreated for 30 mins followed by 13C-isoleucine addition and measured after 1 hr by MS/MS analysis Reduction of propionyl carnitine in human hepatocytes derived from methylmalonic acidemia patient pretreated for 30 mins followed by 13C-isoleucine addition and measured after 1 hr by MS/MS analysis	[PMID: 33848153]
Hepatocyte	EC₅₀	11.6 μM Compound: 10; HST5040A	Reduction of CoASH in human hepatocytes derived from propionic acidemia patient pretreated for 30 mins followed by 13C-isoleucine addition and measured after 1 hr by MS/MS analysis Reduction of CoASH in human hepatocytes derived from propionic acidemia patient pretreated for 30 mins followed by 13C-isoleucine addition and measured after 1 hr by MS/MS analysis	[PMID: 33848153]
Hepatocyte	EC₅₀	130 μM Compound: 10; HST5040A	Drug metabolism in mouse hepatocytes assessed as formation of 2,2-dimethylbutanoic acid-CoA incubated for 1 hrs by MS/MS analysis Drug metabolism in mouse hepatocytes assessed as formation of 2,2-dimethylbutanoic acid-CoA incubated for 1 hrs by MS/MS analysis	[PMID: 33848153]
Hepatocyte	EC₅₀	14.1 μM Compound: 10; HST5040A	Reduction of CoASH in human hepatocytes derived from methylmalonic acidemia patient pretreated for 30 mins followed by 13C-isoleucine addition and measured after 1 hr by MS/MS analysis Reduction of CoASH in human hepatocytes derived from methylmalonic acidemia patient pretreated for 30 mins followed by 13C-isoleucine addition and measured after 1 hr by MS/MS analysis	[PMID: 33848153]
Hepatocyte	EC₅₀	2 μM Compound: 10; HST5040A	Reduction of methylmalonyl-CoA in human hepatocytes derived from methylmalonic acidemia pretreated for 30 mins followed by 13C-isoleucine addition and measured after 1 hr by MS/MS analysis Reduction of methylmalonyl-CoA in human hepatocytes derived from methylmalonic acidemia pretreated for 30 mins followed by 13C-isoleucine addition and measured after 1 hr by MS/MS analysis	[PMID: 33848153]
Hepatocyte	EC₅₀	2.1 μM Compound: 10; HST5040A	Reduction of propionyl-CoA in human hepatocytes derived from methylmalonic acidemia pretreated for 30 mins followed by 13C-isoleucine addition and measured after 1 hr by MS/MS analysis Reduction of propionyl-CoA in human hepatocytes derived from methylmalonic acidemia pretreated for 30 mins followed by 13C-isoleucine addition and measured after 1 hr by MS/MS analysis	[PMID: 33848153]
Hepatocyte	EC₅₀	2.3 μM Compound: 10; HST5040A	Reduction of acetyl-CoA in human hepatocytes derived from propionic acidemia patient pretreated for 30 mins followed by 13C-isoleucine addition and measured after 1 hr by MS/MS analysis Reduction of acetyl-CoA in human hepatocytes derived from propionic acidemia patient pretreated for 30 mins followed by 13C-isoleucine addition and measured after 1 hr by MS/MS analysis	[PMID: 33848153]
Hepatocyte	EC₅₀	2.6 μM Compound: 10; HST5040A	Reduction of propionyl carnitine in human hepatocytes derived from propionic acidemia patient pretreated for 30 mins followed by 13C-isoleucine addition and measured after 1 hr by MS/MS analysis Reduction of propionyl carnitine in human hepatocytes derived from propionic acidemia patient pretreated for 30 mins followed by 13C-isoleucine addition and measured after 1 hr by MS/MS analysis	[PMID: 33848153]
Hepatocyte	EC₅₀	202 μM Compound: 10; HST5040A	Drug metabolism in rat hepatocytes assessed as formation of 2,2-dimethylbutanoic acid-CoA incubated for 1 hrs by MS/MS analysis Drug metabolism in rat hepatocytes assessed as formation of 2,2-dimethylbutanoic acid-CoA incubated for 1 hrs by MS/MS analysis	[PMID: 33848153]
Hepatocyte	EC₅₀	3 μM Compound: 10; HST5040A	Drug metabolism in human hepatocytes derived from propionic acidemia patient assessed as formation of 2,2-dimethylbutanoic acid-CoA pretreated for 30 mins followed by 13C-isoleucine addition and measured after 1 hr by MS/MS analysis relative to control Drug metabolism in human hepatocytes derived from propionic acidemia patient assessed as formation of 2,2-dimethylbutanoic acid-CoA pretreated for 30 mins followed by 13C-isoleucine addition and measured after 1 hr by MS/MS analysis relative to control	[PMID: 33848153]
Hepatocyte	EC₅₀	3.5 μM Compound: 10; HST5040A	Drug metabolism in human hepatocytes derived from methylmalonic acidemia patient assessed as formation of 2,2-dimethylbutanoic acid-CoA pretreated for 30 mins followed by 13C-isoleucine addition and measured after 1 hr by MS/MS analysis relative to contro Drug metabolism in human hepatocytes derived from methylmalonic acidemia patient assessed as formation of 2,2-dimethylbutanoic acid-CoA pretreated for 30 mins followed by 13C-isoleucine addition and measured after 1 hr by MS/MS analysis relative to contro	[PMID: 33848153]
Hepatocyte	EC₅₀	4.3 μM Compound: 10; HST5040A	Reduction of acetyl carnitine in human hepatocytes derived from methylmalonic acidemia patient pretreated for 30 mins followed by 13C-isoleucine addition and measured after 1 hr by MS/MS analysis Reduction of acetyl carnitine in human hepatocytes derived from methylmalonic acidemia patient pretreated for 30 mins followed by 13C-isoleucine addition and measured after 1 hr by MS/MS analysis	[PMID: 33848153]
Hepatocyte	EC₅₀	4.8 μM Compound: 10; HST5040A	Reduction of acetyl carnitine in human hepatocytes derived from propionic acidemia patient pretreated for 30 mins followed by 13C-isoleucine addition and measured after 1 hr by MS/MS analysis Reduction of acetyl carnitine in human hepatocytes derived from propionic acidemia patient pretreated for 30 mins followed by 13C-isoleucine addition and measured after 1 hr by MS/MS analysis	[PMID: 33848153]
Hepatocyte	EC₅₀	46.2 μM Compound: 10; HST5040A	Drug metabolism in cynomolgus monkey hepatocytes assessed as formation of 2,2-dimethylbutanoic acid-CoA incubated for 1 hrs by MS/MS analysis Drug metabolism in cynomolgus monkey hepatocytes assessed as formation of 2,2-dimethylbutanoic acid-CoA incubated for 1 hrs by MS/MS analysis	[PMID: 33848153]
Hepatocyte	EC₅₀	5.9 μM Compound: 10; HST5040A	Drug metabolism in human hepatocytes assessed as formation of 2,2-dimethylbutanoic acid-CoA incubated for 1 hrs by MS/MS analysis Drug metabolism in human hepatocytes assessed as formation of 2,2-dimethylbutanoic acid-CoA incubated for 1 hrs by MS/MS analysis	[PMID: 33848153]
Hepatocyte	EC₅₀	60 μM Compound: 10; HST5040A	Drug metabolism in Beagle dog hepatocytes assessed as formation of 2,2-dimethylbutanoic acid-CoA incubated for 1 hrs by MS/MS analysis Drug metabolism in Beagle dog hepatocytes assessed as formation of 2,2-dimethylbutanoic acid-CoA incubated for 1 hrs by MS/MS analysis	[PMID: 33848153]
Hepatocyte	EC₅₀	8.3 μM Compound: 10; HST5040A	Drug metabolism in mini-pig hepatocytes assessed as formation of 2,2-dimethylbutanoic acid-CoA incubated for 1 hrs by MS/MS analysis Drug metabolism in mini-pig hepatocytes assessed as formation of 2,2-dimethylbutanoic acid-CoA incubated for 1 hrs by MS/MS analysis	[PMID: 33848153]
Hepatocyte	EC₅₀	8.3 μM Compound: 10; HST5040A	Drug metabolism in human hepatocytes assessed as formation of 2,2-dimethylbutanoic acid-CoA pretreated for 30 mins followed by 13C-isoleucine addition and measured after 1 hr by MS/MS analysis relative to control Drug metabolism in human hepatocytes assessed as formation of 2,2-dimethylbutanoic acid-CoA pretreated for 30 mins followed by 13C-isoleucine addition and measured after 1 hr by MS/MS analysis relative to control	[PMID: 33848153]

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

127.23

Formula

C₆HD₁₁O₂

CAS No.

1219804-04-2

Appearance

Liquid

Color

Colorless to light yellow

SMILES

OC(C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])C([2H])([2H])[2H])=O

Shipping

Room temperature in continental US; may vary elsewhere.

Storage

Pure form	-20°C	3 years
	4°C	2 years
In solvent	-80°C	6 months
	-20°C	1 month

Solvent & Solubility

In Vitro:

DMSO : ≥ 200 mg/mL (1571.96 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	7.8598 mL	39.2989 mL	78.5978 mL
5 mM	1.5720 mL	7.8598 mL	15.7196 mL
10 mM	0.7860 mL	3.9299 mL	7.8598 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: ≥ 5 mg/mL (39.30 mM); Clear solution

This protocol yields a clear solution of ≥ 5 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (50.0 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: ≥ 5 mg/mL (39.30 mM); Clear solution

This protocol yields a clear solution of ≥ 5 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (50.0 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: ≥ 5 mg/mL (39.30 mM); Clear solution

This protocol yields a clear solution of ≥ 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 (50.0 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: 99.09%

Select Batch:

Data Sheet (279 KB) SDS (251 KB)

COA (259 KB) HNMR (78 KB) GC (93 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]

Complete Stock Solution Preparation Table

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

DMSO	1 mM	7.8598 mL	39.2989 mL	78.5978 mL	196.4945 mL
	5 mM	1.5720 mL	7.8598 mL	15.7196 mL	39.2989 mL
	10 mM	0.7860 mL	3.9299 mL	7.8598 mL	19.6495 mL
	15 mM	0.5240 mL	2.6199 mL	5.2399 mL	13.0996 mL
	20 mM	0.3930 mL	1.9649 mL	3.9299 mL	9.8247 mL
	25 mM	0.3144 mL	1.5720 mL	3.1439 mL	7.8598 mL
	30 mM	0.2620 mL	1.3100 mL	2.6199 mL	6.5498 mL
	40 mM	0.1965 mL	0.9825 mL	1.9649 mL	4.9124 mL
	50 mM	0.1572 mL	0.7860 mL	1.5720 mL	3.9299 mL
	60 mM	0.1310 mL	0.6550 mL	1.3100 mL	3.2749 mL
	80 mM	0.0982 mL	0.4912 mL	0.9825 mL	2.4562 mL
	100 mM	0.0786 mL	0.3930 mL	0.7860 mL	1.9649 mL