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FD-IN-1 is a novel and potent factor D (FD) inhibitor with an IC50 of 12 nM. Complement FD, a highly specific S1 serine protease, plays a central role in the alternative complement pathway of the innate immune system. FD-IN-1 also inhibits factor XIa (FXIa) and Tryptase β2 with IC50s of 7.7 and 6.5µM, respectively.
| 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].
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| 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].
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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)). |
| References |
| 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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