| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
|
||
| 25mg | |||
| Other Sizes |
| Targets |
Cystic Fibrosis Transmembrane Conductance Regulator (CFTR).
|
|---|---|
| ln Vitro |
Recombinant G551D-CFTR is immediately bound by VRT-532 (15 µM), which modifies its ATPase activity [1].
VRT-532 enhances channel activity in G551D-CFTR and increases the intrinsic ATPase activity of G551D-CFTR. It directly binds to G551D-CFTR in isolated systems, improving channel function and increasing ATPase rate. |
| ln Vivo |
No detailed in vivo activity data is available for this compound. As a CFTR modulator, VRT-532 is expected to improve chloride transport in animal models of cystic fibrosis, but specific in vivo efficacy studies have not been reported.
|
| Enzyme Assay |
The compound's modulation of CFTR activity is assessed in cell-free systems using purified CFTR protein or membrane preparations. ATPase activity assays measure the compound's effect on the intrinsic ATPase activity of G551D-CFTR, while binding studies may be conducted to confirm direct interaction with the mutant channel.
|
| Cell Assay |
VRT-532 is evaluated in cell-based assays using epithelial cells expressing G551D-CFTR mutations. Patch-clamp electrophysiology is used to measure channel activity and assess the compound's ability to enhance chloride conductance, while ATPase activity can also be measured in cellular lysates.
|
| Animal Protocol |
No detailed in vivo animal experimental protocol is available for this compound. For CFTR modulators, typical in vivo studies use CFTR mutant mouse models to assess restoration of chloride transport in airway or intestinal epithelia following compound administration.
|
| ADME/Pharmacokinetics |
No detailed pharmacokinetic data is available for VRT-532. With a molecular weight of 250.30, the compound is expected to have reasonable drug-like properties, but specific PK parameters have not been reported.
|
| Toxicity/Toxicokinetics |
No detailed toxicological data is available for this compound. As a research-grade CFTR modulator, standard preclinical toxicity assessments have not been published.
|
| References |
|
| Additional Infomation |
VRT-532 has a molecular formula of C16H14N2O and a molecular weight of 250.30. The compound is a potent modulator of CFTR that enhances channel activity in G551D-CFTR variants, providing valuable insights into cystic fibrosis mechanisms. It has not advanced to clinical trials and is not FDA-approved.
|
| Molecular Formula |
C16H14N2O
|
|---|---|
| Molecular Weight |
250.29516
|
| Exact Mass |
250.111
|
| CAS # |
38214-71-0
|
| PubChem CID |
781239
|
| Appearance |
White to off-white solid powder
|
| Density |
1.213g/cm3
|
| Boiling Point |
472.9ºC at 760 mmHg
|
| Flash Point |
239.8ºC
|
| Index of Refraction |
1.643
|
| LogP |
3.757
|
| Hydrogen Bond Donor Count |
2
|
| Hydrogen Bond Acceptor Count |
2
|
| Rotatable Bond Count |
2
|
| Heavy Atom Count |
19
|
| Complexity |
291
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
OC(C=CC(C)=C1)=C1C2=NNC(C3=CC=CC=C3)=C2
|
| InChi Key |
AQWKVJFRGORALM-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C16H14N2O/c1-11-7-8-16(19)13(9-11)15-10-14(17-18-15)12-5-3-2-4-6-12/h2-10,19H,1H3,(H,17,18)
|
| Chemical Name |
4-methyl-2-(3-phenyl-1H-pyrazol-5-yl)phenol
|
| 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 |
| 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: ~100 mg/mL (~399.5 mM; with ultrasonication)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (9.99 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween-80 + 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 DMSO stock solution (25.0 mg/mL) to 400 μL of PEG300 and mix well; then add 50 μL of Tween-80 and mix well; finally add 450 μL of physiological saline and 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: ≥ 2.5 mg/mL (9.99 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 DMSO stock solution (25.0 mg/mL) to 900 μL of 20% SBE-β-CD saline and mix well. 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 | 3.9952 mL | 19.9760 mL | 39.9521 mL | |
| 5 mM | 0.7990 mL | 3.9952 mL | 7.9904 mL | |
| 10 mM | 0.3995 mL | 1.9976 mL | 3.9952 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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