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| Targets |
CFTR corrector 4 targets the cystic fibrosis transmembrane conductance regulator (CFTR) protein. CFTR is a chloride channel that is defective in cystic fibrosis due to mutations that cause misfolding and reduced surface expression. As a corrector, CFTR corrector 4 enhances CFTR folding and trafficking to the cell surface, increasing the amount of functional CFTR protein at the plasma membrane.
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| ln Vitro |
CFTR Calibrator 4 demonstrated significant potency and efficacy with an EC50 of 0.028 μM in the HBE-TECC assay used to evaluate CFTR function. With a high molecular weight and high HPLC Log D, suggesting significant lipophilicity, the lead was found in a less-than-ideal drug-like area. Human bronchial epithelial-transepithelial current clamp, or HBE-TECC, test [1]. In human bronchial epithelial (HBE) cells, CFTR Corrector 4 was evaluated for potency and efficacy using a cell surface expression (CSE-HRP) assay, which yielded an EC50 value of 130 nM [1].
In vitro, CFTR corrector 4 increases CFTR levels on the cell surface. It is a potent and orally available CFTR corrector for cystic fibrosis. The compound's ability to enhance CFTR folding and trafficking makes it a valuable tool for studying CFTR biology and developing therapies for cystic fibrosis. |
| ln Vivo |
In vivo, CFTR corrector 4 is an orally available CFTR corrector with potential for the treatment of cystic fibrosis. As an orally bioavailable compound, it can be administered to animal models of cystic fibrosis to study its effects on CFTR function and disease phenotype. Its ability to increase CFTR levels at the cell surface may improve chloride transport and reduce disease severity.
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| Enzyme Assay |
In vitro assays for CFTR corrector 4 involve measuring its effects on CFTR folding, trafficking, and function. Cells expressing mutant CFTR (e.g., ΔF508-CFTR) are treated with increasing concentrations of the compound. CFTR surface expression is measured by cell surface biotinylation followed by Western blot or by immunofluorescence. CFTR function is assessed by measuring chloride efflux using fluorescent indicators or by electrophysiology.
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| Cell Assay |
For in vitro cell-based assays, CFTR-expressing cells (e.g., bronchial epithelial cells) are cultured and treated with CFTR corrector 4 at various concentrations. CFTR surface expression is assessed by immunofluorescence or flow cytometry. CFTR function is measured by chloride efflux assays using MQAE or SPQ fluorescent probes. Cell viability is assessed by standard assays.
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| Animal Protocol |
In vivo animal studies with CFTR corrector 4 are conducted in mouse models of cystic fibrosis. The compound is administered orally at doses determined from pharmacokinetic studies. CFTR function in tissues is assessed by measuring chloride transport in intestinal or airway epithelia. Disease phenotypes such as intestinal obstruction or lung inflammation are monitored. The compound's potential for the treatment of cystic fibrosis is being investigated.
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| ADME/Pharmacokinetics |
CFTR corrector 4 (CAS: 1918142-34-3) has a molecular formula of C29H27F2NO7. Chemical name: 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2R,4R)-2-(3,4-dimethoxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-yl]cyclopropane-1-carboxamide. Appearance: solid powder. Purity: ≥98%. Storage: -20°C.
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| Toxicity/Toxicokinetics |
CFTR corrector 4 is a research compound and is not approved for human therapeutic use. In preclinical studies, it has shown a manageable safety profile. As a CFTR corrector, it may have effects on chloride transport in various tissues. The compound's potential for the treatment of cystic fibrosis is being investigated. Standard laboratory safety precautions should be followed when handling the compound.
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| References | |
| Additional Infomation |
CFTR corrector 4 (compound 13) is the active (R,R)-enantiomer and a highly potent and orally available modulator of the CFTR protein. It increases CFTR levels on the cell surface and has the potential for the treatment of cystic fibrosis. It has a molecular formula of C29H27F2NO7. It is not FDA-approved and is intended for research use only.
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| Molecular Formula |
C29H27F2NO7
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| Molecular Weight |
539.52
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| Exact Mass |
539.175
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| CAS # |
1918142-34-3
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| PubChem CID |
121301295
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| Appearance |
Off-white to pink solid powder
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| LogP |
5.1
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
9
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| Rotatable Bond Count |
7
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| Heavy Atom Count |
39
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| Complexity |
888
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| Defined Atom Stereocenter Count |
2
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| SMILES |
C1=C([C@@H]2OC3C([C@@H](C2)NC(=O)C2(CC2)C2=CC4=C(C=C2)OC(F)(F)O4)=CC=C(C=3)OC)C=CC(OC)=C1OC
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| InChi Key |
KDOQEEMQPHIANX-NFBKMPQASA-N
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| InChi Code |
InChI=1S/C29H27F2NO7/c1-34-18-6-7-19-20(15-23(37-24(19)14-18)16-4-8-21(35-2)25(12-16)36-3)32-27(33)28(10-11-28)17-5-9-22-26(13-17)39-29(30,31)38-22/h4-9,12-14,20,23H,10-11,15H2,1-3H3,(H,32,33)/t20-,23-/m1/s1
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| Chemical Name |
1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2R,4R)-2-(3,4-dimethoxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-yl]cyclopropane-1-carboxamide
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| Synonyms |
CFTR corrector 4; CFTR corrector 4
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| 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)
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| Solubility (In Vitro) |
DMSO : ~110 mg/mL (~203.88 mM)
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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 | 1.8535 mL | 9.2675 mL | 18.5350 mL | |
| 5 mM | 0.3707 mL | 1.8535 mL | 3.7070 mL | |
| 10 mM | 0.1853 mL | 0.9267 mL | 1.8535 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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