| Size | Price | |
|---|---|---|
| 500mg | ||
| 1g | ||
| Other Sizes |
| Targets |
AURKB[1]
|
|---|---|
| ln Vitro |
Aurora Kinases-IN-3 (Compound 15a) (40 nM; 6 h), prevents spindle midzone microtubule assembly in RPE-MYCBCL2 cells by interfering with the localization of AURKB, MKLP1, and PLK. AURKB's localization is disrupted by Aurora Kinases-IN-3 as early as anaphase, which has downstream effects that prevent cytokinesis[1]. A broad range of growth suppression in human cancer cell lines is demonstrated by Aurora Kinases-IN-3 (1–10 μM; 3 days)[1].
|
| ln Vivo |
Aurora Kinases-IN-3 (Compound 15a) suppresses the formation of lung cancers in mice when given orally at 50 mg/kg twice a day for seven days [1].
|
| Cell Assay |
Cell Viability Assay[1]
Cell Types: NCI–H23, A549, HCT116, SW480, MDA-MB-231, HeLa and NCI-87 cells Tested Concentrations: 1, 2.5, 5, or 10 μM Incubation Duration: 3 days Experimental Results: demonstrated the EC50 values of about 10 nM in most cell lines. |
| Animal Protocol |
Animal/Disease Models: Female BALB/c nude mice bearing a xenograft of the human lung cancer cell line NCI–H23[1]
Doses: 50 mg/kg Route of Administration: po (oral gavage), twice a day for 7 days Experimental Results: Elicited a mitotic arrest and induced cell death by apoptosis. Effectively suppressed the growth of the tumor and diminished the cellularity of tumor tissue. Animal/Disease Models: Female BAL B/c nude mice[1] Doses: 50 mg/kg Route of Administration: Oral administration (pharmacokinetic/PK Analysis) Experimental Results: After oral delivery in PEG300, achieved adequate plasma exposure, the mean value of dose-normalized area under the dose-response curve (AUC) was 0.35 xh/(mg /kg), Cmax was 6.9 μM. Was barely absorbed after po (oral gavage) in the hydrophilic hydroxypropyl methylcellulose (HPMC) formulation. |
| References |
| Molecular Formula |
C20H16F3N3O4
|
|---|---|
| Molecular Weight |
419.35395526886
|
| Exact Mass |
419.109
|
| CAS # |
2840558-83-8
|
| PubChem CID |
166176934
|
| Appearance |
White to off-white solid powder
|
| LogP |
4
|
| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
9
|
| Rotatable Bond Count |
6
|
| Heavy Atom Count |
30
|
| Complexity |
566
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
C(NC)(=O)C1=CC(OC(F)(F)F)=CC(OC2=NC=CC=C2C2C=CN=C(OC)C=2)=C1
|
| InChi Key |
NVMJCTQSUKIXBG-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C20H16F3N3O4/c1-24-18(27)13-8-14(11-15(9-13)30-20(21,22)23)29-19-16(4-3-6-26-19)12-5-7-25-17(10-12)28-2/h3-11H,1-2H3,(H,24,27)
|
| Chemical Name |
3-[3-(2-methoxypyridin-4-yl)pyridin-2-yl]oxy-N-methyl-5-(trifluoromethoxy)benzamide
|
| HS Tariff Code |
2934.99.9001
|
| 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)
|
| Solubility (In Vitro) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
|
|---|---|
| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.3846 mL | 11.9232 mL | 23.8464 mL | |
| 5 mM | 0.4769 mL | 2.3846 mL | 4.7693 mL | |
| 10 mM | 0.2385 mL | 1.1923 mL | 2.3846 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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