| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
|
||
| Other Sizes |
| Targets |
Targets the CysLT1 receptor, a GPCR involved in mediating the pro-inflammatory and bronchoconstrictive actions of cysteinyl leukotrienes (LTC4, LTD4, LTE4). The non-deuterated parent compound Montelukast is a potent antagonist with an IC50 of 4.9 nM in HEK293 cells expressing the CysLT1 receptor.
|
|---|---|
| ln Vitro |
Drug compounds have included stable heavy isotopes of carbon, hydrogen, and other elements, mostly as quantitative tracers while the drugs were being developed. Because deuteration may have an effect on a drug's pharmacokinetics and metabolic properties, it is a cause for concern [1].
As an internal standard, Montelukast-d6 sodium is added to biological samples at a known concentration. Due to its identical chromatographic behavior to Montelukast sodium but distinct mass due to the 6 deuterium atoms, it is used to correct for matrix effects, recovery losses, and variations in LC-MS/MS performance during drug quantification. |
| ln Vivo |
No direct in vivo activity is reported for Montelukast-d6 sodium as it is a tracer, not intended for pharmacological studies. The parent compound Montelukast sodium is an orally active leukotriene antagonist widely used to prevent asthma symptoms and for research on liver protection and inflammation.
|
| Enzyme Assay |
Montelukast-d6 sodium is used directly in LC-MS/MS methods without a separate binding assay. Typically, 5-50 ng/mL of internal standard is added to plasma, serum, or tissue homogenate samples. After protein precipitation and solid-phase extraction, the extract is injected onto a reverse-phase C18 column with a water-acetonitrile mobile phase containing 0.1% formic acid.
|
| Cell Assay |
No cell-based assays are typically performed with the deuterated tracer. The standard for cell assays is Montelukast sodium, which is evaluated in cells expressing CysLT1 using calcium mobilization assays, GTPgammaS binding, or competitive binding with [3H]-LTD4 (50 pM) to determine IC50 values.
|
| Animal Protocol |
No specific animal studies are reported for the deuterated tracer. The parent compound Montelukast sodium has been extensively studied in animal models of asthma, lung inflammation, and liver injury using oral administration at doses ranging from 1-10 mg/kg in rodents. The tracer would be used as an internal standard in PK studies of parent drug.
|
| ADME/Pharmacokinetics |
Montelukast-d6 sodium is a stable isotope-labeled internal standard that mimics the PK behavior of the non-deuterated drug. It has a molecular formula of C3₅H2₉D₆ClNNaO3S. For use as an internal standard, it is typically spiked into samples before extraction to serve as a normalizer for the parent compound‘s quantification.
|
| Toxicity/Toxicokinetics |
No toxicity data is available for Montelukast-d6 sodium, as it is used only in trace amounts as an analytical standard. The non-deuterated parent compound Montelukast sodium is approved for human use and has a well-established safety profile, with the most common adverse effects including headache, nausea, and rare neuropsychiatric events.
|
| References | |
| Additional Infomation |
Montelukast-d6 sodium is a research reagent, not an active pharmaceutical ingredient. It is used as an internal standard in LC-MS/MS bioanalytical methods for accurate quantification of Montelukast sodium in pharmacokinetic, bioavailability, and bioequivalence studies. It is not approved for human therapeutic use and cannot be administered to patients.
|
| Molecular Formula |
C35H35CLNNAO3S
|
|---|---|
| Molecular Weight |
614.20
|
| Exact Mass |
613.23
|
| CAS # |
2673270-26-1
|
| Related CAS # |
Montelukast sodium;151767-02-1;Montelukast-d6;1093746-29-2
|
| PubChem CID |
45039959
|
| Appearance |
White to off-white solid powder
|
| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
5
|
| Rotatable Bond Count |
12
|
| Heavy Atom Count |
42
|
| Complexity |
898
|
| Defined Atom Stereocenter Count |
1
|
| SMILES |
O=C(CC1(CC1)CS[C@@H](C1C=CC=C(/C=C/C2=NC3C(=CC=C(C=3)Cl)C=C2)C=1)CCC1C=CC=CC=1C(O)(C([2H])([2H])[2H])C([2H])([2H])[2H])[O-].[Na+]
|
| InChi Key |
LBFBRXGCXUHRJY-KSWPWUDBSA-M
|
| InChi Code |
InChI=1S/C35H36ClNO3S.Na/c1-34(2,40)30-9-4-3-7-25(30)13-17-32(41-23-35(18-19-35)22-33(38)39)27-8-5-6-24(20-27)10-15-29-16-12-26-11-14-28(36)21-31(26)37-29;/h3-12,14-16,20-21,32,40H,13,17-19,22-23H2,1-2H3,(H,38,39);/q;+1/p-1/b15-10+;/t32-;/m1./s1/i1D3,2D3;
|
| Chemical Name |
sodium;2-[1-[[(1R)-1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(1,1,1,3,3,3-hexadeuterio-2-hydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetate
|
| HS Tariff Code |
2934.99.9001
|
| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: Please store this product in a sealed and protected environment, avoid exposure to moisture. |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
|
| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
|---|
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.6281 mL | 8.1407 mL | 16.2813 mL | |
| 5 mM | 0.3256 mL | 1.6281 mL | 3.2563 mL | |
| 10 mM | 0.1628 mL | 0.8141 mL | 1.6281 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
