| Size | Price | |
|---|---|---|
| 1mg | ||
| Other Sizes |
| Targets |
Angiotensin-converting enzyme (ACE)
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|---|---|
| ln Vitro |
Quinaprilat-d5 (5 μM) facilitates the interaction between organic anion transporter 3 (hOAT3) and quinapril, which can enhance renal active secretion and increase quinapril uptake in HEK293 cells by a factor of 25. The hOAT3 affinity Km for quinaprilat is 13.4 μM[1]. Quinaprilat-d5 (100 nM, 20 min) can activate the B1 receptor, which causes human lung microvascular endothelial (HLMVE) cells to release NO, hence inhibiting the activity of protein kinase C (PKC)[2].
Quinaprilat specifically blocks the conversion of angiotensin I to the vasoconstrictor angiotensin II and inhibits bradykinin degradation. It primarily acts as a vasodilator, decreasing total peripheral and renal vascular resistance. Quinaprilat-d5 (100 nM, 20 min) inhibits protein kinase C (PKC) activity by activating the B1 receptor, resulting in NO release. |
| ln Vivo |
In male spontaneous hypertensive rats (SHRs), quinaprilat-d5 (oral gavage, 3 mg/kg, every day, 6 days) has some anti-hypertensive efficacy when combined with other medications[1].
Quinaprilat-d5 (oral gavage, 3 mg/kg, daily for 6 days) exhibits antihypertensive effects in male spontaneously hypertensive rats (SHRs), particularly when combined with other drugs. It causes a significant drop in blood pressure from day 1 to day 5. Plasma quinaprilat concentration decreases by the fifth day of treatment. |
| Enzyme Assay |
Quinaprilat-d5 mediates interaction with human organic anion transporter 3 (hOAT3), promoting renal active secretion. This increases quinaprilat uptake up to 25-fold in HEK293 cells. The hOAT3 affinity (Km) for quinaprilat is 13.4 microM.
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| Cell Assay |
Quinaprilat-d5 (5 microM) is used in HEK293 cells overexpressing hOAT3 to study renal active secretion. Cells are incubated with the compound, and intracellular accumulation is measured. (100 nM, 20 min) is used in human lung microvascular endothelial (HLMVE) cells to study PKC inhibition and NO release via B1 receptor activation.
|
| Animal Protocol |
Male spontaneously hypertensive rats (SHRs) weighing 230-250 g are used. Quinaprilat-d5 (3 mg/kg) is administered via oral gavage daily for 6 days. Blood pressure is monitored over time. Blood samples are collected to measure plasma concentration of quinaprilat on day 5, and PK parameters such as AUC(0-24h) and renal clearance are determined.
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| ADME/Pharmacokinetics |
Quinaprilat-d5 has a molecular weight of 415.49. The parent drug, Quinaprilat, exhibits pharmacokinetics characterized by renal active secretion via organic anion transporters. The deuterated label does not alter the expected PK profile. It is primarily excreted unchanged in urine, with a half-life of approximately 2 hours.
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| Toxicity/Toxicokinetics |
As a deuterated version of an active metabolite of an approved drug, Quinaprilat-d5 is assumed to have a similar toxicity profile to quinaprilat. General toxicity of ACE inhibitors includes potential for hypotension, hyperkalemia, and angioedema. Teratogenic effects (fetotoxicity) are known risks, contraindicating use in pregnancy.
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| References |
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| Additional Infomation |
Quinaprilat-d5 is not a drug itself but a research tool. It is primarily used as an internal standard in analytical chemistry for the quantification of quinaprilat by mass spectrometry (e.g., LC-MS/MS). It is valuable for drug-drug interaction studies and pharmacokinetic research. It has no clinical trials or approved uses.
|
| Molecular Formula |
C23H21D5N2O5
|
|---|---|
| Molecular Weight |
415.49
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| Exact Mass |
415.216
|
| CAS # |
1279034-23-9
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| Related CAS # |
Quinaprilat;82768-85-2
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| PubChem CID |
45040315
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| Appearance |
White to off-white solid powder
|
| LogP |
2.417
|
| Hydrogen Bond Donor Count |
3
|
| Hydrogen Bond Acceptor Count |
6
|
| Rotatable Bond Count |
8
|
| Heavy Atom Count |
30
|
| Complexity |
619
|
| Defined Atom Stereocenter Count |
3
|
| SMILES |
[2H]C1=C(C(=C(C(=C1[2H])[2H])CC[C@@H](C(=O)O)N[C@@H](C)C(=O)N2CC3=CC=CC=C3C[C@H]2C(=O)O)[2H])[2H]
|
| InChi Key |
FLSLEGPOVLMJMN-KKQRNKNXSA-N
|
| InChi Code |
InChI=1S/C23H26N2O5/c1-15(24-19(22(27)28)12-11-16-7-3-2-4-8-16)21(26)25-14-18-10-6-5-9-17(18)13-20(25)23(29)30/h2-10,15,19-20,24H,11-14H2,1H3,(H,27,28)(H,29,30)/t15-,19-,20-/m0/s1/i2D,3D,4D,7D,8D
|
| Chemical Name |
(3S)-2-[(2S)-2-[[(1S)-1-carboxy-3-(2,3,4,5,6-pentadeuteriophenyl)propyl]amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
|
| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| 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 Vitro) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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|---|---|
| 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 | 2.4068 mL | 12.0340 mL | 24.0680 mL | |
| 5 mM | 0.4814 mL | 2.4068 mL | 4.8136 mL | |
| 10 mM | 0.2407 mL | 1.2034 mL | 2.4068 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.
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