| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg |
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| 50mg |
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| 100mg |
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| Other Sizes |
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| Targets |
EC90: 270 nM (Chikungunya virus)[1] Dihydroorotate Dehydrogenase[1]
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|---|---|
| ln Vitro |
CHIKV-IN-2 (compound 8q) is a strong inhibitor of pan-alphaviruses, with EC90s ranging from 0.85 to 2.5 μM for both attenuated vaccine strains and clinical isolates of CHIKV[1]. CHIKV-IN-2 exhibits efficacy against flaviviruses, including West Nile Virus (WNV; EC90=0.20 μM) and Dengue Virus Strain-2 (DENV-2; EC90=0.60 μM), and alphavirus VEEV (EC90=0.40 μM)[1].
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| ln Vivo |
CHIKV-IN-2 (compound 8q) (80 mg/kg; intraperitoneally twice daily for three days) dramatically reduces the spread of infectious CHIKV to other mouse tissues[1]. CHIKV-IN-2 (40 mg/kg; po, ip, sc) in mice shows a terminal elimination half-life (t1/2=9.9, 18.5, 18.6 h), a moderate bioavailability (F=41%, 43%, 4%), and a Cmax (642, 858, 90 ng/mL)[1]. In mice, CHIKV-IN-2 (1 mg/kg; iv) displays an AUC of 497 h·ng/mL and a terminal elimination half-life of t1/2= 2.02 h[1].
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| Animal Protocol |
Animal/Disease Models: Female and male C57BL/6 mice[1]
Doses: 80 mg/kg Route of Administration: Ip twice a day for 3 days Experimental Results: Failed to inhibit virus loads at the site of infection. diminished virus dissemination to other tissues. Animal/Disease Models: Male C57BL/6 mice were challenged with CHIKV in the right footpad[1] Doses: 1 mg/kg for iv and 40 mg/kg for po, ip, sc (pharmacokinetic/PK Analysis) Route of Administration: Iv, po, ip, sc Experimental Results: Iv: t1/2= 2.02 h; AUC=497 h·ng/mL. Po: F=41%; t1/2=9.9 h; Cmax= 642 ng/mL. Ip: F=43%; t1/2=18.5 h; Cmax=858 ng/mL. Sc: F=4%; t1/2=18.6 h; Cmax=90 ng/mL. |
| References |
[1]. Ahmed SK, et, al. Targeting Chikungunya Virus Replication by Benzoannulene Inhibitors. J Med Chem. 2021 Apr 22;64(8):4762-4786.
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| Molecular Formula |
C23H26N2O2
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|---|---|
| Molecular Weight |
362.4647
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| Exact Mass |
362.199
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| CAS # |
2361289-44-1
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| PubChem CID |
142616713
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| Appearance |
White to off-white solid powder
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| LogP |
5.2
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
27
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| Complexity |
556
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O(C([H])([H])[H])C1=C(C(N([H])C2C([H])=C([H])C(=C([H])C=2[H])C(C#N)(C([H])([H])[H])C([H])([H])[H])=O)C([H])=C2C(=C1[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C2([H])[H]
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| InChi Key |
WAOHPFHXTKBTTG-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C23H26N2O2/c1-23(2,15-24)18-9-11-19(12-10-18)25-22(26)20-13-16-7-5-4-6-8-17(16)14-21(20)27-3/h9-14H,4-8H2,1-3H3,(H,25,26)
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| Chemical Name |
N-[4-(2-cyanopropan-2-yl)phenyl]-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide
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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 (275.89 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (6.90 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 (6.90 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 (6.90 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 | 2.7589 mL | 13.7946 mL | 27.5893 mL | |
| 5 mM | 0.5518 mL | 2.7589 mL | 5.5179 mL | |
| 10 mM | 0.2759 mL | 1.3795 mL | 2.7589 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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