| Size | Price | Stock | Qty |
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| 100mg |
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| Other Sizes |
| Targets |
FAK-IN-14 targets focal adhesion kinase (FAK) with an IC50 of 0.2438 nM. It also shows significant inhibition of FGFR1 and Pyk2. FAK is a key regulator of cell adhesion, migration, and survival signaling. By inhibiting FAK, FAK-IN-14 disrupts these processes, leading to apoptosis and cell cycle arrest.
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| ln Vitro |
FAK-IN-14 demonstrates potent in vitro activity as a FAK inhibitor with an IC50 of 0.2438 nM. It induces early apoptosis in U87-MG cells and arrests the cell cycle at the G2/M phase. It shows significant inhibition of FAK, FGFR1, and Pyk2. In cell-based assays, FAK-IN-14 inhibits FAK phosphorylation and downstream signaling events, leading to reduced cell proliferation and survival.
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| ln Vivo |
FAK-IN-14 has shown in vivo antitumor activity. It has been studied in xenograft models where it demonstrates the ability to inhibit tumor growth by inducing apoptosis and cell cycle arrest. The compound's ability to inhibit tumor growth is a key measure of its in vivo efficacy.
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| Enzyme Assay |
The in vitro enzyme/receptor binding (non-cell-based) assay for FAK-IN-14 involves assessing its inhibition of FAK kinase activity. Recombinant FAK is incubated with the compound, ATP, and a substrate peptide. Kinase activity is measured by detecting the phosphorylation of the substrate. The IC50 value of 0.2438 nM is determined from dose-response curves.
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| Cell Assay |
The in vitro cell-based assay for FAK-IN-14 involves treating cancer cell lines, such as U87-MG glioblastoma cells, with the compound and measuring its effects on cell viability, apoptosis, and cell cycle progression. The compound induces early apoptosis and arrests cells at the G2/M phase.
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| Animal Protocol |
In vivo animal experiments for FAK-IN-14 are conducted in tumor xenograft models. Tumor-bearing mice are administered the compound, and tumor growth inhibition is monitored. The compound's ability to induce apoptosis and inhibit FAK signaling in tumor tissues is assessed.
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| ADME/Pharmacokinetics |
FAK-IN-14 has a molecular weight of 502.43 g/mol and a molecular formula of C21H24BrN7OS. It is typically stored at -20°C. The purity is typically >98%. It is typically used for research purposes only.
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| Toxicity/Toxicokinetics |
As a research compound, its safety profile is evaluated in standard cytotoxicity and acute toxicity assays. The compound is classified for research use only and is not intended for human therapeutic use. Comprehensive toxicological characterization would be required prior to any clinical development. The compound is typically handled with standard laboratory safety precautions.
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| References | |
| Additional Infomation |
FAK-IN-14 (CAS 2766666-22-0) is a potent FAK inhibitor with an IC50 of 0.2438 nM. It has a molecular weight of 502.43 and a molecular formula of C21H24BrN7OS. It induces apoptosis and cell cycle arrest. It is not approved for clinical use and is available only for research purposes.
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| Molecular Formula |
C21H24BRN7OS
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|---|---|
| Molecular Weight |
502.43
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| Exact Mass |
501.095
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| CAS # |
2766666-22-0
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| PubChem CID |
169450787
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| Appearance |
White to off-white solid powder
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
8
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| Rotatable Bond Count |
6
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| Heavy Atom Count |
31
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| Complexity |
586
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1(C(NC)=O)SC=CC=1NC1C(Br)=CN=C(NC2=CC=C(N3CCN(C)CC3)C=C2)N=1
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| InChi Key |
SDQZXGWKKZXIEP-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C21H24BrN7OS/c1-23-20(30)18-17(7-12-31-18)26-19-16(22)13-24-21(27-19)25-14-3-5-15(6-4-14)29-10-8-28(2)9-11-29/h3-7,12-13H,8-11H2,1-2H3,(H,23,30)(H2,24,25,26,27)
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| Chemical Name |
3-[[5-bromo-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]-N-methylthiophene-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) |
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
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| 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 | 1.9903 mL | 9.9516 mL | 19.9033 mL | |
| 5 mM | 0.3981 mL | 1.9903 mL | 3.9807 mL | |
| 10 mM | 0.1990 mL | 0.9952 mL | 1.9903 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.
Products are for research use only; We do not sell to patients
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