| Size | Price | Stock | Qty |
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| 10mg |
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| Other Sizes |
| Targets |
FD-IN-1 targets factor D (FD), a serine protease that is essential for the activation of the alternative complement pathway. FD-IN-1 also inhibits factor XIa (FXIa) and tryptase beta2 with IC₅0 values of 7.7 microM and 6.5 microM, respectively. The compound is selective for FD with an IC₅0 of 12 nM.
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| ln Vitro |
Using 50% human whole blood (WB) in a membrane attack complex (MAC) deposition assay, compound 12, FD-IN-1, showed functional inhibition of AP activation in vitro (IC50=0.26 μM) [1].
FD-IN-1 demonstrates potent in vitro inhibition of factor D with an IC₅0 of 12 nM. It also inhibits factor XIa (FXIa) and tryptase beta2 with IC₅0 values of 7.7 microM and 6.5 microM, respectively. The compound is orally bioavailable and selective for FD. |
| ln Vivo |
In mice that express human FD, FD-IN-1 (Compound 12) shows systemic inhibition of alternative complement pathway (AP) activation in a lipopolysaccharide-induced model, as well as AP activation induced by intravitreal injection and local ocular suppression in models[1]. Following oral administration (10 mg/kg in mice and dogs), FD-IN-1 (compound 12) demonstrates a high oral bioavailability (83% in C57BL6 mice and 70% in Beagle dogs) [1]. After intravenous administration (1 mg/kg in mice and dogs), FD-IN-1 (compound 12) shows a terminal elimination half-life (1.6 hours in C57BL6 mice and 3.8 hours in Beagle dogs) [1].
In vivo, FD-IN-1 is orally bioavailable and acts as a selective factor D inhibitor. By inhibiting factor D, the compound blocks the alternative complement pathway, which has implications for the treatment of complement-mediated diseases. Further in vivo studies would be required to fully characterize its therapeutic potential. |
| Enzyme Assay |
In vitro enzyme assays for FD-IN-1 typically employ recombinant factor D and appropriate fluorogenic or chromogenic substrates specific for factor D cleavage. Enzyme activity is measured by monitoring fluorescence or absorbance upon substrate cleavage. Inhibition is assessed by incubating varying concentrations of FD-IN-1 with the enzyme and substrate. IC₅0 values are determined from dose-response curves.
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| Cell Assay |
In vitro cellular assays for FD-IN-1 involve treating complement-expressing cells or serum-based complement activation systems with varying concentrations of the compound (typically 0.001-100 microM range). Readouts include assessment of alternative complement pathway activity (e.g., C3b deposition, hemolysis assays), measurement of complement component levels, and evaluation of downstream inflammatory markers.
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| Animal Protocol |
Animal/Disease Models: Human FD knock-in mice [1]
Doses: 3 and 10 mg/kg Route of Administration: po (oral gavage) Experimental Results: The AP pathway was completely inhibited at the 10 mg/kg dose for up to 10 hrs (hrs (hours)). In vivo animal studies for FD-IN-1 would typically employ mouse models of complement-mediated diseases (e.g., autoimmune diseases, inflammatory diseases). Animals would be administered FD-IN-1 via oral gavage at various doses. Endpoints would include assessment of disease severity, complement pathway activity, inflammatory markers, and pharmacodynamic biomarkers of factor D inhibition. |
| ADME/Pharmacokinetics |
FD-IN-1 is orally bioavailable with favorable pharmacokinetic properties. Following oral administration, the compound achieves appropriate exposure for target engagement. PK parameters including half-life, Cmax, Tmax, and AUC are determined via LC-MS/MS analysis. The compound has a molecular weight of 377.43.
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| Toxicity/Toxicokinetics |
FD-IN-1 is a research-grade compound for laboratory use only. As with all research chemicals, standard safety precautions should be observed during handling including appropriate PPE and work in a fume hood. The compound is not intended for human therapeutic use. Comprehensive toxicology data is not publicly available.
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| References | |
| Additional Infomation |
FD-IN-1 (CAS# 1646682-14-5) is an orally bioavailable, selective factor D inhibitor (IC₅0 = 12 nM). It also inhibits factor XIa and tryptase beta2. The compound is used as a research tool to study the alternative complement pathway. It is not approved for clinical use and is for research purposes only.
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| Molecular Formula |
C23H23NO4
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|---|---|
| Molecular Weight |
377.4330265522
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| Exact Mass |
377.162
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| CAS # |
1646682-14-5
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| PubChem CID |
117819668
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| Appearance |
White to off-white solid powder
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| LogP |
-0.4
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
8
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| Heavy Atom Count |
28
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| Complexity |
485
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| Defined Atom Stereocenter Count |
1
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| SMILES |
C1(CC(O)=O)=CC=CC=C1OCC1C=CC=C(C2=CC=CC([C@H](N)CO)=C2)C=1
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| InChi Key |
XHLXBWRISOPXQB-OAQYLSRUSA-N
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| InChi Code |
InChI=1S/C23H23NO4/c24-21(14-25)19-9-4-8-18(12-19)17-7-3-5-16(11-17)15-28-22-10-2-1-6-20(22)13-23(26)27/h1-12,21,25H,13-15,24H2,(H,26,27)/t21-/m1/s1
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| Chemical Name |
2-[2-[[3-[3-[(1S)-1-amino-2-hydroxyethyl]phenyl]phenyl]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 : ~62.5 mg/mL (~165.59 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (5.51 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 (5.51 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. View More
Solubility in Formulation 3: ≥ 2.08 mg/mL (5.51 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 | 2.6495 mL | 13.2475 mL | 26.4950 mL | |
| 5 mM | 0.5299 mL | 2.6495 mL | 5.2990 mL | |
| 10 mM | 0.2649 mL | 1.3247 mL | 2.6495 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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