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FIT-039 (FIT039) is an oral, selective and ATP-competitive CDK9 (cyclin-dependent kinase 9) inhibitor with antiviral activity. FIT-039 prevents HSV-1, HSV-2, human adenovirus, and human CMV from replicating (IC50 of 0.69 μM). For inhibiting drug-resistant HSVs and other DNA viruses, FIT-039 is a promising antiviral agent.
| Targets |
CDK9/cyclinT1 (IC50 = 5.8 μM); HSV-1 (IC50 = 0.69 μM); HSV-2; CMV
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|---|---|
| ln Vitro |
FIT-039 (30 μM; 3 hours; HEK293 cells) treatment lowers the amount of phosphorylated CTD in infected or noninfected cells compared to what flavopiridol shows. HSV-1 immediate-early genes (IEGs) as well as early and late genes have lower expression levels when FIT-039 is used[1].
FIT-039 has a dose-dependent effect on the HSV-1 genome's ability to replicate (EC50 and EC80 are 0.69 μM and 4.0 μM, respectively)[1]. FIT-039 potently inhibits eight kinases on the 332-kinase panel, except for CDK9: GSK3β, PKN1, haspin, p70s6K, DYRK1B, GSK3α, IRR, and DYRK3. Numerous viruses replicate because of these kinases[1]. |
| ln Vivo |
In a dose-dependent manner, treatment with the FIT-039 ointment twice daily prevents skin lesions and saves male BALB/c mice that have been injected with HSV-1 from dying. 5% to 10% FIT-039 ointment is used to observe lesion healing, and on day 10, 5% ACV ointment is used to observe the full regression of zosteriform spread[1].
FIT-039 has no effect on mice given an excess of this compound (1000 mg/kg/d) for 14 days in terms of body weight gain, and there are no changes seen in the biological markers in the mice's blood[1]. |
| References |
| Molecular Formula |
C17H18FN3S
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|---|---|
| Molecular Weight |
315.4104
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| Exact Mass |
315.1205
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| Elemental Analysis |
C, 64.74; H, 5.75; F, 6.02; N, 13.32; S, 10.16
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| CAS # |
1113044-49-7
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| Related CAS # |
1113044-49-7
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| Appearance |
Solid powder
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| SMILES |
C1CCN(CC1)C2=C(C=C(C=C2)F)NC(=S)C3=CC=NC=C3
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| InChi Key |
VRKZHYSJZOUICG-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C17H18FN3S/c18-14-4-5-16(21-10-2-1-3-11-21)15(12-14)20-17(22)13-6-8-19-9-7-13/h4-9,12H,1-3,10-11H2,(H,20,22)
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| Chemical Name |
N-(5-fluoro-2-piperidin-1-ylphenyl)pyridine-4-carbothioamide
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| Synonyms |
FIT-039; KP1115; FIT039; KP-1115; FIT 039; KP 1115
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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 (~317.1 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: 2.5 mg/mL (7.93 mM) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication.
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 (7.93 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. 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 (7.93 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 | 3.1705 mL | 15.8524 mL | 31.7048 mL | |
| 5 mM | 0.6341 mL | 3.1705 mL | 6.3410 mL | |
| 10 mM | 0.3170 mL | 1.5852 mL | 3.1705 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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