| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
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| Other Sizes |
| Targets |
IC50: 0.54 nM (ALK)[1]
TL13-22 targets anaplastic lymphoma kinase (ALK). It is a highly potent ALK inhibitor, with an IC50 of 0.54 nM. Its primary use is as a negative control in experiments involving TL13-12, a PROTAC molecule that both inhibits and degrades ALK. By inhibiting ALK without causing its degradation, TL13-22 allows researchers to distinguish between the effects of ALK inhibition and ALK degradation. |
|---|---|
| ln Vitro |
In addition, TL13-22 induces the degradation of FER, PTK2, RPS6KA1, Aurora A, and 18.4 nM, 5.74 nM, 18.4 nM, and 65.9 nM, respectively[1].
In vitro, TL13-22 is a potent ALK inhibitor with an IC50 of 0.54 nM. It does not degrade ALK in cells, making it a valuable negative control for TL13-12, which is a PROTAC that induces ALK degradation. Its activity is typically assessed using biochemical kinase assays and cell-based assays that measure ALK phosphorylation and downstream signaling. |
| ln Vivo |
In vivo activity of TL13-22 is not extensively documented, as it is primarily used as a research tool rather than a therapeutic candidate. Its use as a negative control suggests it may be administered in animal studies alongside TL13-12 to compare the effects of ALK inhibition versus degradation. Its in vivo effects would be assessed by measuring ALK activity and tumor growth.
|
| Enzyme Assay |
Cell-free assays for TL13-22 typically involve measuring its inhibitory activity against ALK kinase using biochemical kinase assays. The IC50 value of 0.54 nM is determined by measuring the phosphorylation of a peptide substrate in the presence of varying concentrations of the inhibitor. These assays are used to confirm the compound's potency and to characterize its inhibitory activity.
|
| Cell Assay |
In vitro cellular assays are conducted to evaluate the functional activity of TL13-22. ALK-driven cancer cell lines are treated with the compound, and ALK phosphorylation is measured to assess inhibition. Cell proliferation assays may be used to evaluate the effects of ALK inhibition. Importantly, ALK protein levels are measured to confirm that TL13-22 does not cause ALK degradation, distinguishing it from TL13-12.
|
| Animal Protocol |
In vivo animal experiments are not typically detailed for TL13-22, as it is primarily used as a negative control. However, in studies involving TL13-12, researchers may administer TL13-22 to a control group of animals to differentiate the effects of ALK degradation from ALK inhibition. Tumor growth and ALK signaling would be monitored to assess the compound's effects.
|
| ADME/Pharmacokinetics |
The pharmacokinetic properties of TL13-22 are characteristic of a small molecule inhibitor. Its molecular weight is 947.50. While detailed PK parameters are not widely published, its properties suggest it is designed to have favorable drug-like characteristics to support its use in research. Its large molecular size (947.50) is notable.
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| Toxicity/Toxicokinetics |
The toxicity profile of TL13-22 is not extensively documented. As a research compound, standard safety precautions should be taken when handling it. Its use is restricted to research purposes and it is not intended for human consumption. Preclinical studies would be required to fully assess its safety profile.
|
| References | |
| Additional Infomation |
TL13-22 is a valuable research tool used as a negative control for TL13-12, a PROTAC that degrades ALK. It allows researchers to dissect the contributions of ALK inhibition versus ALK degradation in cellular and in vivo models. The compound is a potent ALK inhibitor with an IC50 of 0.54 nM but does not degrade the ALK protein. It is not a therapeutic agent.
|
| Molecular Formula |
C45H55CLN10O9S
|
|---|---|
| Molecular Weight |
947.50
|
| Exact Mass |
946.356
|
| CAS # |
2229036-65-9
|
| PubChem CID |
138991783
|
| Appearance |
Light yellow to yellow solid powder
|
| LogP |
5.2
|
| Hydrogen Bond Donor Count |
5
|
| Hydrogen Bond Acceptor Count |
16
|
| Rotatable Bond Count |
21
|
| Heavy Atom Count |
66
|
| Complexity |
1720
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCN(CC4)CCOCCOCCNC(=O)CNC5=CC=CC6=C5C(=O)N(C6=O)C7CCCNC7=O)OC
|
| InChi Key |
JVBGYTWMZKXATO-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C45H55ClN10O9S/c1-29(2)66(61,62)38-12-5-4-9-34(38)51-41-32(46)27-50-45(53-41)52-33-14-13-30(26-37(33)63-3)55-19-17-54(18-20-55)21-23-65-25-24-64-22-16-47-39(57)28-49-35-10-6-8-31-40(35)44(60)56(43(31)59)36-11-7-15-48-42(36)58/h4-6,8-10,12-14,26-27,29,36,49H,7,11,15-25,28H2,1-3H3,(H,47,57)(H,48,58)(H2,50,51,52,53)
|
| Chemical Name |
N-[2-[2-[2-[4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethoxy]ethoxy]ethyl]-2-[[1,3-dioxo-2-(2-oxopiperidin-3-yl)isoindol-4-yl]amino]acetamide
|
| 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 | 1.0554 mL | 5.2770 mL | 10.5541 mL | |
| 5 mM | 0.2111 mL | 1.0554 mL | 2.1108 mL | |
| 10 mM | 0.1055 mL | 0.5277 mL | 1.0554 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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