| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
|
||
| 5mg |
|
||
| 10mg |
|
||
| Other Sizes |
| Targets |
PDE5 0.074 nM (IC50) PDE1 380 nM (IC50) PDE2 670 nM (IC50) PDE3 38 nM (IC50) PDE4 800 nM (IC50)
Thioquinapiperifil dihydrochloride targets phosphodiesterase-5 (PDE5), an enzyme that hydrolyzes cyclic GMP (cGMP). The compound is a potent, selective, and non-competitive PDE5 inhibitor with an IC50 of 0.074 nM. By inhibiting PDE5, the compound prevents the breakdown of cGMP, leading to increased cGMP levels and smooth muscle relaxation. This mechanism is similar to that of sildenafil and other PDE5 inhibitors used for erectile dysfunction. Thioquinapiperifil's high potency and selectivity for PDE5 make it a valuable research tool for studying PDE5-related signaling pathways. |
|---|---|
| ln Vitro |
Dietary supplements contain thioquinapiperifil [1]. Platelet aggregation is inhibited by thioquinapiperifil dihydrochloride (KF31327) at concentrations ranging from 0.1 to 10 μM. Higher doses of Thioquinapiperifil dihydrochloride (KF31327), at 1 and 10 μM, are necessary to prevent platelet aggregation in the absence of nitroglycerin[2]. At 10 μM, thioquinapiperifil dihydrochloride (KF31327) exhibits a notable rise in cyclic GMP. Thioquinapiperifil dihydrochloride (KF31327)-treated cells have mean cyclic GMP levels of 0.95±0.17 pmol/108 cells after 5 min incubation[2].
Thioquinapiperifil dihydrochloride demonstrates potent in vitro inhibition of PDE5 with an IC50 of 0.074 nM. The compound is a selective and non-competitive PDE5 inhibitor. It inhibits platelet aggregation at concentrations ranging from 0.1 to 10 μM. Higher doses of the compound (1 and 10 μM) are necessary to prevent platelet aggregation in the absence of nitroglycerin. These in vitro findings confirm the compound's potent PDE5 inhibitory activity and its effects on platelet function. |
| ln Vivo |
In vivo activity data for Thioquinapiperifil dihydrochloride are not extensively documented. The compound has been studied for sexual enhancement, suggesting potential in vivo efficacy. Its potent PDE5 inhibition (IC50 of 0.074 nM) would be expected to produce vasodilatory effects in vivo. The compound has been identified as an adulterant in health supplements, indicating that it has been used illicitly for its PDE5 inhibitory effects. Further controlled in vivo studies are needed to fully characterize its efficacy and safety.
|
| Enzyme Assay |
The in vitro enzyme assay for Thioquinapiperifil dihydrochloride involves measuring its inhibition of PDE5 enzymatic activity. Recombinant human PDE5 is expressed and purified. Enzyme activity is assessed by measuring the hydrolysis of cGMP to GMP using a scintillation proximity assay or fluorescence polarization. Thioquinapiperifil is incubated with the enzyme and substrate at various concentrations. IC50 values are determined by fitting the inhibition data to a dose-response curve. The assay buffer typically contains Tris-HCl, MgCl2, and appropriate components for enzyme activity.
|
| Cell Assay |
In vitro cellular assays for Thioquinapiperifil dihydrochloride typically use platelet aggregation assays to assess its functional effects. Human platelets are isolated and treated with Thioquinapiperifil at various concentrations (0.1 to 10 μM). Platelet aggregation is induced by ADP, collagen, or other agonists, and aggregation is measured using aggregometry. The compound's ability to inhibit platelet aggregation is quantified. Additionally, cellular cGMP levels can be measured using ELISA in various cell types. These assays confirm the compound's cellular activity.
|
| Animal Protocol |
In vivo animal experiments for Thioquinapiperifil dihydrochloride are not extensively documented. As a potent PDE5 inhibitor, standard in vivo efficacy studies would involve animal models of erectile dysfunction or pulmonary hypertension. The compound would be administered via oral or parenteral routes. Hemodynamic parameters and erectile function would be assessed. Its potent PDE5 inhibition would be expected to produce effects similar to those of sildenafil. Further studies are needed to fully characterize its in vivo activity.
|
| ADME/Pharmacokinetics |
Pharmacokinetic properties of Thioquinapiperifil dihydrochloride are not extensively documented. As a small-molecule PDE5 inhibitor with a molecular weight of 446.41, the compound is expected to have reasonable bioavailability. Its use as an adulterant in health supplements suggests that it is orally bioavailable. Further pharmacokinetic studies, including assessments of absorption, distribution, metabolism, and excretion (ADME), are necessary to fully characterize its PK profile.
|
| Toxicity/Toxicokinetics |
Toxicological data for Thioquinapiperifil dihydrochloride are not extensively available. As a potent PDE5 inhibitor, the compound would be expected to have side effects similar to those of other PDE5 inhibitors, including headache, flushing, and hypotension. Its use as an adulterant in health supplements raises safety concerns due to unregulated dosing and potential drug interactions. Standard toxicity studies would be required to fully characterize its safety profile.
|
| References |
|
| Additional Infomation |
Thioquinapiperifil dihydrochloride (KF31327) is a potent, selective, and non-competitive PDE5 inhibitor with an IC50 of 0.074 nM. It inhibits platelet aggregation at 0.1-10 μM and has been studied for sexual enhancement. The compound has been identified as an adulterant in health supplements. It has a molecular weight of 446.41 and formula C26H32Cl2N4OS. No clinical trials or regulatory approvals have been reported. It is available as a research-grade compound.
|
| Molecular Formula |
C24H28N6OS.2[HCL]
|
|---|---|
| Molecular Weight |
521.5056
|
| Exact Mass |
520.157
|
| CAS # |
204077-66-7
|
| Related CAS # |
Thioquinapiperifil;220060-39-9
|
| PubChem CID |
9828075
|
| Appearance |
Light yellow to yellow solid powder
|
| Hydrogen Bond Donor Count |
5
|
| Hydrogen Bond Acceptor Count |
6
|
| Rotatable Bond Count |
6
|
| Heavy Atom Count |
34
|
| Complexity |
644
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
CCN1C2=C(C=C3C(=C2)N=CN=C3NCC4=CC=CC=C4N5CCC(CC5)CO)NC1=S.Cl.Cl
|
| InChi Key |
YWGNFHIWAHNADT-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C24H28N6OS.2ClH/c1-2-30-22-12-19-18(11-20(22)28-24(30)32)23(27-15-26-19)25-13-17-5-3-4-6-21(17)29-9-7-16(14-31)8-10-29;;/h3-6,11-12,15-16,31H,2,7-10,13-14H2,1H3,(H,28,32)(H,25,26,27);2*1H
|
| Chemical Name |
3-ethyl-8-[[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methylamino]-1H-imidazo[4,5-g]quinazoline-2-thione;dihydrochloride
|
| Synonyms |
Thioquinapiperifil dihydrochloride; 204077-66-7; kf31327; KF-31327; THIOQUINAPIPERIFIL (DIHYDROCHLORIDE);
|
| 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 (e.g. under nitrogen), avoid exposure to moisture and light. |
| 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) |
DMSO: 125 mg/mL (239.69 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (3.99 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.08 mg/mL (3.99 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.9175 mL | 9.5875 mL | 19.1751 mL | |
| 5 mM | 0.3835 mL | 1.9175 mL | 3.8350 mL | |
| 10 mM | 0.1918 mL | 0.9588 mL | 1.9175 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
