| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
IC50: 0.07 nM (FAK)[1]
FAK inhibitor 2 targets focal adhesion kinase (FAK). It is a potent and selective small-molecule inhibitor of FAK with an IC50 of 0.07 nM. FAK is a key regulator of cell adhesion, migration, and survival signaling. By inhibiting FAK, FAK inhibitor 2 disrupts these processes, leading to antitumor and anti-angiogenesis effects. |
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| ln Vitro |
FAK inhibitor 2 demonstrates potent in vitro activity as a FAK inhibitor with an IC50 of 0.07 nM. It has antitumor and anti-angiogenesis activities. In cell-based assays, FAK inhibitor 2 inhibits FAK phosphorylation and downstream signaling events, leading to reduced cell proliferation, migration, and angiogenesis.
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| ln Vivo |
FAK inhibitor 2 exhibits in vivo antitumor and anti-angiogenesis activities. It has been studied in xenograft models where it demonstrates the ability to inhibit tumor growth. The compound's ability to inhibit tumor growth and angiogenesis 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 inhibitor 2 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 0.07 nM is determined from dose-response curves.
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| Cell Assay |
The in vitro cell-based assay for FAK inhibitor 2 involves treating cancer cell lines with the compound and measuring its effects on cell adhesion, migration, and survival. The compound's ability to inhibit FAK signaling and induce apoptosis is assessed.
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| Animal Protocol |
In vivo animal experiments for FAK inhibitor 2 are conducted in tumor xenograft models. Tumor-bearing mice are administered the compound, and tumor growth inhibition and angiogenesis are monitored.
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| ADME/Pharmacokinetics |
FAK inhibitor 2 has a molecular weight of 646.75 g/mol and a molecular formula of C29H33F3N8O2S2. It is soluble in DMSO. 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.
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| References | |
| Additional Infomation |
FAK inhibitor 2 (CAS 2354405-14-2) is a potent FAK inhibitor with an IC50 of 0.07 nM. It has a molecular weight of 646.75 and a molecular formula of C29H33F3N8O2S2. It has antitumor and anti-angiogenesis activities. It is not approved for clinical use and is available only for research purposes.
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| Molecular Formula |
C29H33F3N8O2S2
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|---|---|
| Molecular Weight |
646.75
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| Exact Mass |
646.211
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| CAS # |
2354405-14-2
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| PubChem CID |
138454791
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| Appearance |
White to off-white solid powder
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| LogP |
5
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
12
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| Rotatable Bond Count |
10
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| Heavy Atom Count |
44
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| Complexity |
961
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| Defined Atom Stereocenter Count |
0
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| SMILES |
N1(C(=S)SCCN(C)C)CCN(C(=O)C2=CC=C(NC3=NC=C(C(F)(F)F)C(NC4=CC=CC=C4C(NC)=O)=N3)C=C2)CC1
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| InChi Key |
UXDPRPCEEZGHNQ-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C29H33F3N8O2S2/c1-33-25(41)21-6-4-5-7-23(21)36-24-22(29(30,31)32)18-34-27(37-24)35-20-10-8-19(9-11-20)26(42)39-12-14-40(15-13-39)28(43)44-17-16-38(2)3/h4-11,18H,12-17H2,1-3H3,(H,33,41)(H2,34,35,36,37)
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| Chemical Name |
2-(dimethylamino)ethyl 4-[4-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzoyl]piperazine-1-carbodithioate
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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 Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture and light. |
| 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 (154.62 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (3.87 mM) (saturation unknown) in 10% DMSO + 40% PEG300 +5% Tween-80 + 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. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.5462 mL | 7.7310 mL | 15.4619 mL | |
| 5 mM | 0.3092 mL | 1.5462 mL | 3.0924 mL | |
| 10 mM | 0.1546 mL | 0.7731 mL | 1.5462 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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