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FD inhibitor-2 is a highly potent, non-covalent reversible and selective human Factor D (FD) inhibitor ith IC50s of 0.006 and 0.05 μM in FD Thioesterolytic Fluorescent Assay and a MAC Deposition Assay, respectively.
| ln Vitro |
The innate immune system's complement alternative pathway (AP) is amplified in part by the highly selective S1 serine protease factor D (FD). Compound 2, complement factor D-IN-1, shown comparable efficacy against FD in humans and monkeys (IC50 in FD thioesterolysis assay was 0.005 μM for humans and 0.011 μM in 50% serum MAC deposition assay) [1].
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| ln Vivo |
In Sprague-Dawley rats, complement factor D-IN-1 demonstrates excellent oral PK qualities. In Brown Norway rats, an oral dose of 10 mg/kg causes considerable alterations in ocular tissues, such as the neuroretina and ocular tissues that show good distribution and sustained exposure. The choroid, retinal pigment epithelium, and sclera make comprise the posterior ocular cup (PEC). Six hours after dose, the average exposure levels in plasma, PEC, and retina were 0.36, 0.43, and 0.09 μM, respectively [1].
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| References |
| Molecular Formula |
C21H19BRN6O3
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|---|---|
| Molecular Weight |
483.317962884903
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| Exact Mass |
482.07
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| CAS # |
1386455-76-0
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| PubChem CID |
86673884
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| Appearance |
White to off-white solid powder
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| LogP |
2.2
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
31
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| Complexity |
753
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| Defined Atom Stereocenter Count |
3
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| SMILES |
BrC1=CC=CC(=N1)NC([C@@H]1C[C@H]2C[C@H]2N1C(CN1C2C=CC=CC=2C(C(N)=O)=N1)=O)=O
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| InChi Key |
CWZUTHDJLNZLCM-DFBGVHRSSA-N
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| InChi Code |
InChI=1S/C21H19BrN6O3/c22-16-6-3-7-17(24-16)25-21(31)15-9-11-8-14(11)28(15)18(29)10-27-13-5-2-1-4-12(13)19(26-27)20(23)30/h1-7,11,14-15H,8-10H2,(H2,23,30)(H,24,25,31)/t11-,14-,15+/m1/s1
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| Chemical Name |
1-(2-((1R,3S,5R)-3-((6-Bromopyridin-2-yl)carbamoyl)-2-azabicyclo[3.1.0]hexan-2-yl)-2-oxoethyl)-1H-indazole-3-carboxamide
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| Synonyms |
FD inhibitor-2 Complement factor D-IN-1
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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 : ~250 mg/mL (~517.26 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (4.30 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 (4.30 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 (4.30 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 | 2.0690 mL | 10.3451 mL | 20.6902 mL | |
| 5 mM | 0.4138 mL | 2.0690 mL | 4.1380 mL | |
| 10 mM | 0.2069 mL | 1.0345 mL | 2.0690 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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