| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| 5mg |
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| 100mg | |||
| Other Sizes |
| Targets |
The primary target of PROTAC FAK degrader 1 is focal adhesion kinase (FAK). As a PROTAC, it recruits the VHL E3 ubiquitin ligase to FAK, leading to its ubiquitination and subsequent degradation by the proteasome.
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|---|---|
| ln Vitro |
In cell-free systems, the activity of PROTAC FAK degrader 1 is assessed by its ability to bind to FAK and VHL. This is measured using biophysical techniques such as surface plasmon resonance or isothermal titration calorimetry. Its degradation activity is measured in cell-based assays. In vitro, PROTAC FAK degrader 1 is a potent and specific degrader of FAK. It induces the degradation of FAK protein in cells, as demonstrated by its DC50 of 3 nM. This leads to the inhibition of FAK signaling.
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| ln Vivo |
In vivo, the activity of PROTAC FAK degrader 1 is expected to be similar to other FAK inhibitors, but with the added benefit of protein degradation. Its in vivo efficacy and pharmacokinetics are not well-documented in the provided search results.
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| Enzyme Assay |
The binding of PROTAC FAK degrader 1 to FAK and VHL is measured in cell-free binding assays. The compound's ability to form a ternary complex is assessed. Its potency is determined by its IC50 and DC50 values.
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| Cell Assay |
Cells are treated with PROTAC FAK degrader 1. The degradation of FAK protein is assessed by Western blot. Its effects on FAK signaling and downstream pathways are measured. Cell migration and invasion assays are used to assess functional outcomes.
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| Animal Protocol |
In vivo studies are not described in the provided search results. If conducted, they would likely involve xenograft mouse models to study the effects of FAK degradation on tumor growth and metastasis.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of PROTAC FAK degrader 1 are not reported in the provided search results. As a PROTAC molecule, its properties may be complex and require optimization for in vivo use.
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| Toxicity/Toxicokinetics |
Toxicological data for PROTAC FAK degrader 1 is not available in the provided search results. As a research compound, its safety profile is not well-established. It is intended for research use only.
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| References | |
| Additional Infomation |
PROTAC FAK degrader 1 is a research tool for studying FAK biology. It is a valuable compound for investigating the role of FAK in cancer and other diseases. It is not an approved drug and is for research use only.
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| Molecular Formula |
C47H56F3N9O8S2
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|---|---|
| Molecular Weight |
996.128258705139
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| Exact Mass |
995.364
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| CAS # |
2301916-69-6
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| PubChem CID |
138454773
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| Appearance |
White to off-white solid powder
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| LogP |
5.8
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| Hydrogen Bond Donor Count |
5
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| Hydrogen Bond Acceptor Count |
18
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| Rotatable Bond Count |
21
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| Heavy Atom Count |
69
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| Complexity |
1760
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| Defined Atom Stereocenter Count |
3
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| SMILES |
S1C=NC(C)=C1C1C=CC(=CC=1)CNC([C@@H]1C[C@H](CN1C([C@H](C(C)(C)C)NC(CCOCCOC1C=CC(=CC=1)NC1=NC=C(C(F)(F)F)C(=N1)NCC1=CC=CC(=C1)N(C)S(C)(=O)=O)=O)=O)O)=O
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| InChi Key |
MVULIYLBRNHLEE-LFHXYJAASA-N
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| InChi Code |
InChI=1S/C47H56F3N9O8S2/c1-29-40(68-28-54-29)32-12-10-30(11-13-32)24-52-43(62)38-23-35(60)27-59(38)44(63)41(46(2,3)4)56-39(61)18-19-66-20-21-67-36-16-14-33(15-17-36)55-45-53-26-37(47(48,49)50)42(57-45)51-25-31-8-7-9-34(22-31)58(5)69(6,64)65/h7-17,22,26,28,35,38,41,60H,18-21,23-25,27H2,1-6H3,(H,52,62)(H,56,61)(H2,51,53,55,57)/t35-,38+,41-/m1/s1
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| Chemical Name |
(2S,4R)-1-[(2S)-3,3-dimethyl-2-[3-[2-[4-[[4-[[3-[methyl(methylsulfonyl)amino]phenyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenoxy]ethoxy]propanoylamino]butanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-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 Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture. |
| 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 : ~200 mg/mL (~200.78 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 5 mg/mL (5.02 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), suspension solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 50.0 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: ≥ 5 mg/mL (5.02 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 50.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.0039 mL | 5.0194 mL | 10.0389 mL | |
| 5 mM | 0.2008 mL | 1.0039 mL | 2.0078 mL | |
| 10 mM | 0.1004 mL | 0.5019 mL | 1.0039 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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