| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 50mg |
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| 100mg |
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| Other Sizes |
| Targets |
The intermediate itself has no direct biological target. KTX-582, the final API for which this intermediate is used, is an IRAK4 degrader that induces apoptosis. KTX-582 induces degradation of IRAK4 (DC50 = 4 nM) and Ikaros (DC50 = 5 nM) through proteasomal pathways.
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| ln Vitro |
KTX-582 intermediate-1, as a synthetic building block, has no direct in vitro biological activity. Its value lies in its defined role in the synthesis of the active degrader molecule KTX-582, which exhibits potent degradation activity in cell-based assays.
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| ln Vivo |
The intermediate itself has no direct in vivo activity. KTX-582, the final compound, has been shown to induce degradation of IRAK4 and Ikaros in animal models, leading to apoptosis. However, detailed in vivo efficacy data for KTX-582 in animal models is limited in publicly available literature.
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| Enzyme Assay |
KTX-582 intermediate-1 is not typically used in enzyme or receptor binding assays. For quality control purposes, analytical methods such as HPLC (≥98% purity) and LC-MS are used to verify the identity, molecular weight (326.40 g/mol), and purity. These assays are strictly chemical in nature.
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| Cell Assay |
Cell-based assays are not applicable to this intermediate. For the final degrader KTX-582, typical cell-based assays involve treating IRAK4-expressing cell lines with various concentrations (0.1 nM to 10 uM) for 6-24 hours, followed by Western blotting to assess IRAK4 and Ikaros protein levels, and Annexin V/PI staining to quantify apoptosis.
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| Animal Protocol |
Animal studies are not conducted directly on KTX-582 intermediate-1. For KTX-582, typical protocols might involve administering the compound to immunocompromised mice bearing IRAK4-driven tumors, followed by monitoring of tumor volume, protein degradation, and survival. However, detailed published protocols for KTX-582 are limited.
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| ADME/Pharmacokinetics |
No pharmacokinetic data is available for this intermediate. For KTX-582, if used as a degrader in vivo, its PK profile would be critical but is not publicly available. Researchers should conduct their own PK studies to determine half-life, clearance, and distribution.
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| Toxicity/Toxicokinetics |
No direct toxicity data is available for this intermediate. For KTX-582, as an IRAK4 degrader and apoptosis inducer, its toxicity profile would be related to its mechanism of action. Standard safety precautions should be taken when handling this research chemical.
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| References |
[1]. Mainolfi, et al. Preparation of heterocycles as IRAK degraders and uses thereof. World Intellectual Property Organization, WO2022147465 A1. 2022-07-07.
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| Additional Infomation |
KTX-582 intermediate-1 is a research-use chemical and not a pharmaceutical for human consumption. KTX-582 is a heterobifunctional molecule that recruits the E3 ubiquitin ligase machinery to induce degradation of IRAK4, a kinase involved in Toll-like receptor and IL-1 receptor signaling. This compound is not approved for clinical use.
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| Molecular Formula |
C16H22O5S
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|---|---|
| Molecular Weight |
326.407884120941
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| Exact Mass |
326.118
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| CAS # |
845508-29-4
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| PubChem CID |
71464327
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| Appearance |
Off-white to light yellow solid powder
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| LogP |
3.1
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
6
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| Heavy Atom Count |
22
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| Complexity |
451
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| Defined Atom Stereocenter Count |
0
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| SMILES |
S(C1C=CC(C)=CC=1)(=O)(=O)OC1CCC(C(=O)OCC)CC1
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| InChi Key |
AHJHOPFLUQMYHC-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C16H22O5S/c1-3-20-16(17)13-6-8-14(9-7-13)21-22(18,19)15-10-4-12(2)5-11-15/h4-5,10-11,13-14H,3,6-9H2,1-2H3
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| Chemical Name |
ethyl 4-(4-methylphenyl)sulfonyloxycyclohexane-1-carboxylate
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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 | 3.0636 mL | 15.3182 mL | 30.6363 mL | |
| 5 mM | 0.6127 mL | 3.0636 mL | 6.1273 mL | |
| 10 mM | 0.3064 mL | 1.5318 mL | 3.0636 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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