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| Targets |
Pelecopan targets complement factor D, a serine protease that is a key enzyme in the alternative complement pathway. Factor D cleaves factor B to initiate the formation of the C3 convertase, a critical step in complement activation. By inhibiting factor D with IC50 = 14.3 nM, Pelecopan blocks alternative pathway activation and prevents complement-mediated hemolysis.
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| ln Vitro |
Pelecopan inhibits human factor D's proteolytic activity against C3b-bound factor B with an IC50 of 28.1 nM and possesses strong and highly selective inhibitory effect against pure human factor D (IC50 of 14.3 nM) [1]. Pelecopan prevents the buildup of C3 fragments on PNH erythrocytes and totally prevents hemolysis of PNH cells in vitro (IC50 value in rabbit erythrocytes is 29.5 nM) [1].
In vitro, Pelecopan inhibits complement factor D with IC50 = 14.3 nM. It is a potent and selective inhibitor of factor D. These in vitro activities demonstrate its potential for treating complement-mediated diseases including PNH and other alternative pathway-mediated diseases. |
| ln Vivo |
In vivo, Pelecopan is orally active and has shown potential for treating complement-mediated diseases. It targets complement factor D to prevent intravascular and extravascular hemolysis in PNH. It may also be used in other alternative pathway-mediated diseases. Specific in vivo efficacy data are limited in publicly available sources.
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| Enzyme Assay |
In vitro complement assays are used to characterize Pelecopan's inhibition of factor D. Factor D enzyme is incubated with the compound and its substrate, and enzyme activity is measured. IC50 = 14.3 nM is determined. Complement activation assays measure the effect of the compound on alternative pathway activity in serum.
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| Cell Assay |
Cell-based assays for Pelecopan are conducted in cells relevant to complement-mediated diseases. Red blood cell hemolysis assays measure the compound's ability to prevent complement-mediated lysis. Cytokine production in immune cells is assessed to evaluate anti-inflammatory effects.
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| Animal Protocol |
In vivo animal experiments with Pelecopan are conducted in models of complement-mediated diseases including PNH. The compound is administered orally, and hemolysis, complement activation, and disease markers are assessed. Specific protocols are not extensively documented.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of Pelecopan include oral activity and good oral bioavailability. The compound has molecular weight 406.41 and molecular formula C23H19FN2O4. Solubility: DMSO 100 mg/mL (246.06 mM). Storage: appropriately. Specific PK parameters have not been extensively reported.
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| Toxicity/Toxicokinetics |
Safety and toxicology data for Pelecopan are limited. The compound is for research use only and is not approved for human therapeutic use without appropriate regulatory approval. Standard laboratory safety precautions should be followed when handling the compound. The compound should be stored properly and disposed of in accordance with applicable regulations.
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| References | |
| Additional Infomation |
Pediatrica is an orally bioavailable inhibitor of complement factor D (FD; CFD). Complement factor D is a serine protease that cleaves complement factor B and possesses potential complement system inhibitory activity. After oral administration, Pediatrica targets and blocks the activity of FD, thereby inhibiting the cleavage of complement factor B into complement factor Bα and complement factor β in the alternative complement cascade pathway. This inhibits FD-mediated signaling and activation of the alternative complement pathway (ACP), blocking complement-mediated hemolysis in paroxysmal nocturnal hemoglobinuria (PNH) and preventing ACP-induced tissue damage. FD plays a crucial role in ACP activation.
Pelecopan has CAS number 2378380-49-3, molecular formula C23H19FN2O4, and molecular weight 406.41. Synonyms: BCX9930. It is a potent, selective, orally active complement factor D inhibitor with IC50 = 14.3 nM. It targets factor D to prevent hemolysis in PNH. Purity: >98%. Not for human use; for research purposes only. |
| Molecular Formula |
C23H19FN2O4
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|---|---|
| Molecular Weight |
406.406369447708
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| Exact Mass |
406.132
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| CAS # |
2378380-49-3
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| PubChem CID |
139560984
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| Appearance |
Off-white to light yellow solid powder
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| LogP |
0.5
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
7
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| Rotatable Bond Count |
7
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| Heavy Atom Count |
30
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| Complexity |
579
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1(CC(O)=O)=CC=CC=C1OCC1=CC(C2C=CN=C(CN)C=2F)=C2OC=CC2=C1
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| InChi Key |
AUARNXJEAZFQCQ-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C23H19FN2O4/c24-22-17(5-7-26-19(22)12-25)18-10-14(9-16-6-8-29-23(16)18)13-30-20-4-2-1-3-15(20)11-21(27)28/h1-10H,11-13,25H2,(H,27,28)
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| Chemical Name |
2-[2-[[7-[2-(aminomethyl)-3-fluoropyridin-4-yl]-1-benzofuran-5-yl]methoxy]phenyl]acetic acid
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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 : ~100 mg/mL (~246.06 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (6.15 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 25.0 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: ≥ 2.5 mg/mL (6.15 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 25.0 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. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (6.15 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.4606 mL | 12.3028 mL | 24.6057 mL | |
| 5 mM | 0.4921 mL | 2.4606 mL | 4.9211 mL | |
| 10 mM | 0.2461 mL | 1.2303 mL | 2.4606 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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