| 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: <3 nM (c-terminal Src kinase in CSK HTRF assay), 4 nM (c-terminal Src kinase in Caliper assay)[1]
Src Inhibitor 3 targets C-terminal Src kinase (CSK). It is a potent and orally active CSK inhibitor with IC50 values below 3 nM and 4 nM in CSK HTRF and Caliper assays, respectively. By inhibiting CSK, it reduces the inhibitory phosphorylation of LCK. CSK is a kinase that negatively regulates Src family kinases. By inhibiting CSK, Src Inhibitor 3 enhances T cell receptor signaling. |
|---|---|
| ln Vitro |
Src Inhibitor 3 demonstrates potent in vitro activity as a CSK inhibitor with IC50 values below 3 nM and 4 nM in CSK HTRF and Caliper assays, respectively. It shows the ability to increase T cell proliferation induced by T cell receptor signaling. In cell-based assays, Src Inhibitor 3 inhibits CSK activity, leading to reduced LCK phosphorylation and enhanced T cell activation.
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| ln Vivo |
It has been demonstrated that Src Inhibitor 3 increases T cell activation in response to antigenic stimulation and decreases inhibitory LCK phosphorylation in vivo following oral treatment [1].
Src Inhibitor 3 is orally active and has been shown to reduce inhibitory LCK phosphorylation in vivo, demonstrating its ability to enhance T cell activation upon antigen stimulation. The compound's ability to modulate T cell activation is a key measure of its in vivo efficacy. |
| Enzyme Assay |
The in vitro enzyme/receptor binding (non-cell-based) assay for Src Inhibitor 3 involves assessing its inhibition of CSK kinase activity. Recombinant CSK is incubated with the compound, ATP, and a substrate peptide. Kinase activity is measured by detecting the phosphorylation of the substrate. IC50 values are determined from dose-response curves.
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| Cell Assay |
The in vitro cell-based assay for Src Inhibitor 3 involves treating T cells with the compound and measuring its effects on LCK phosphorylation and T cell proliferation. The compound reduces inhibitory LCK phosphorylation and increases T cell proliferation induced by TCR signaling.
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| Animal Protocol |
In vivo animal experiments for Src Inhibitor 3 are conducted in models of immune response. Animals are administered the compound orally, and its effects on T cell activation and immune function are assessed.
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| ADME/Pharmacokinetics |
Src Inhibitor 3 has a molecular weight of 671.12 g/mol and a molecular formula of C34H32ClFN8O4. It is orally active. 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 |
Src Inhibitor 3 (CAS 2380027-49-4) is a potent, orally active CSK inhibitor. It has a molecular weight of 671.12 and a molecular formula of C34H32ClFN8O4. It enhances T cell activation by reducing inhibitory LCK phosphorylation. It is not approved for clinical use and is available only for research purposes.
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| Molecular Formula |
C34H32CLFN8O4
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|---|---|
| Molecular Weight |
671.12
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| Exact Mass |
670.221
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| CAS # |
2380027-49-4
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| PubChem CID |
139600340
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| Appearance |
Light yellow to yellow solid powder
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| Density |
1.4±0.1 g/cm3
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| Index of Refraction |
1.686
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| LogP |
2.84
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
8
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| Rotatable Bond Count |
8
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| Heavy Atom Count |
48
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| Complexity |
1240
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CC(C)(CC(=O)N1CCC(CC1)N2C3=C(C=C(C=C3)F)C(=N2)C(=O)NC4=CC(=C(C=C4)NC(=O)C5=C6C=CC(=CN6N=C5)OC)Cl)C#N
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| InChi Key |
LQQYARMJQBHKQQ-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C34H32ClFN8O4/c1-34(2,19-37)16-30(45)42-12-10-22(11-13-42)44-29-8-4-20(36)14-24(29)31(41-44)33(47)39-21-5-7-27(26(35)15-21)40-32(46)25-17-38-43-18-23(48-3)6-9-28(25)43/h4-9,14-15,17-18,22H,10-13,16H2,1-3H3,(H,39,47)(H,40,46)
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| Chemical Name |
N-[3-chloro-4-[(6-methoxypyrazolo[1,5-a]pyridine-3-carbonyl)amino]phenyl]-1-[1-(3-cyano-3-methylbutanoyl)piperidin-4-yl]-5-fluoroindazole-3-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 (149.00 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (3.73 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 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. Solubility in Formulation 2: ≥ 2.08 mg/mL (3.10 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 20.8 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 | 1.4900 mL | 7.4502 mL | 14.9005 mL | |
| 5 mM | 0.2980 mL | 1.4900 mL | 2.9801 mL | |
| 10 mM | 0.1490 mL | 0.7450 mL | 1.4900 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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