| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
|
||
| 5mg | |||
| Other Sizes |
| Targets |
DYRK1A 5 nM (IC50) DYRK1B 8 nM (IC50)
DYRK1A and DYRK1B. DYRKs-IN-1 hydrochloride is a potent DYRK inhibitor with IC50 values of 5 nM for DYRK1A and 8 nM for DYRK1B. It also exhibits antitumor activity. |
|---|---|
| ln Vitro |
DYRKs-IN-1 hydrochloride (compound 30) has an EC50 of 27 nM and improves the cellular potency against the human colon carcinoma cell line SW 620[1]. A strong inhibitor of DYRKs is DYRKs-IN-1 hydrochloride (Example 183)[2].
DYRKs-IN-1 hydrochloride inhibits DYRK1A with an IC50 of 5 nM and DYRK1B with an IC50 of 8 nM. It has an EC50 of 27 nM and improves cellular potency against the human colon carcinoma cell line SW620, indicating strong antiproliferative activity. The compound is a potent DYRK inhibitor. |
| ln Vivo |
DYRKs-IN-1 hydrochloride has demonstrated antitumor activity in cell-based assays, particularly against the human colon carcinoma cell line SW620. While no detailed in vivo efficacy studies are published, it is expected to have potential in animal models of Alzheimer's disease, where DYRK1A is implicated in tau phosphorylation, and in cancer models where DYRK1B plays a role in cell cycle regulation and survival.
|
| Enzyme Assay |
Cell-free DYRK1A and DYRK1B kinase activity assays are performed using recombinant human DYRK enzymes. The enzyme is incubated with a peptide substrate and ATP in the presence of increasing concentrations of DYRKs-IN-1 (0.001-10,000 nM) in assay buffer (50 mM HEPES, pH 7.5, 10 mM MgCl2, 1 mM DTT, 0.01% Triton X-100). After 30-60 min at 30degC, the reaction is terminated, and IC50 is determined by measuring phosphorylated substrate via luminescence (ADP-Glo) or 33P incorporation.
|
| Cell Assay |
Human SW620 colon carcinoma cells are seeded in 96-well plates and treated with DYRKs-IN-1 hydrochloride at various concentrations (0.1-100 nM) for 48-72 hours. Cell viability is assessed by MTT or CellTiter-Glo assay. EC50 (27 nM) is determined from dose-response curves. For mechanism studies, DYRK-mediated phosphorylation of downstream targets (e.g., tau protein at specific residues) is analyzed by Western blot in appropriate cell lines. Colony formation assays may be performed over 7-14 days.
|
| Animal Protocol |
No specific in vivo animal protocols are published. For potential in vivo studies, DYRKs-IN-1 hydrochloride would be formulated in a suitable vehicle (e.g., 10% DMSO + 40% PEG300 + 5% Tween-80 + 45% saline) and administered to rodents by intraperitoneal injection or oral gavage. Tumor xenograft models (e.g., SW620 colon carcinoma) could be used to assess antitumor efficacy. For Alzheimer's disease models, transgenic tauopathy mice (e.g., Tau-P301S) could be used to evaluate effects on tau phosphorylation and cognitive function. No such studies are reported.
|
| ADME/Pharmacokinetics |
No specific PK data are reported. The molecular weight is 624.52 (C30H31Cl2N7O4). Formula: C30H31Cl2N7O4. CAS 1386980-55-7. Purity ≥98%. Storage: -20degC. Solubility: DMSO (10-50 mg/mL). In vivo formulation can be prepared with 10% DMSO + 40% PEG300 + 5% Tween-80 + 45% saline. PK parameters (t1/2, Cmax, AUC, oral bioavailability) have not been published.
|
| Toxicity/Toxicokinetics |
No specific toxicity data are reported. As a small-molecule DYRK inhibitor, standard safety assessments would include in vitro hERG channel inhibition (cardiotoxicity), Ames test (genotoxicity), and CYP inhibition profiling. No clinical trials have been conducted. The compound is not FDA-approved. For research use only.
|
| References | |
| Additional Infomation |
Other information: DYRKs-IN-1 hydrochloride (CAS 1386980-55-7) is a research compound, not FDA-approved. It is a potent dual-specificity tyrosine phosphorylation-regulated kinase inhibitor with IC50s of 5 nM (DYRK1A) and 8 nM (DYRK1B). It exhibits antitumor activity, particularly against colon carcinoma cells. This compound is valuable for studying DYRK signaling in neurodegenerative diseases and cancer. For research use only. Synonyms: DYRK inhibitor 1 hydrochloride.
|
| Molecular Formula |
C30H31CL2N7O4
|
|---|---|
| Molecular Weight |
624.52
|
| Exact Mass |
623.181
|
| CAS # |
1386980-55-7
|
| Related CAS # |
DYRKs-IN-1;1387090-01-8
|
| PubChem CID |
144416250
|
| Appearance |
Yellow to brown solid powder
|
| Hydrogen Bond Donor Count |
5
|
| Hydrogen Bond Acceptor Count |
8
|
| Rotatable Bond Count |
8
|
| Heavy Atom Count |
43
|
| Complexity |
1030
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
O=C1C(=CC2=CN=C(N3CC4CCC(O4)C3)NC2=N1)C(=O)NC1C(=CC=C(C(=O)NC(C2C=CC=CC=2)CCN)C=1)Cl.Cl
|
| InChi Key |
XLHHYTUBPOMTDK-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C30H30ClN7O4.ClH/c31-23-9-6-18(27(39)34-24(10-11-32)17-4-2-1-3-5-17)13-25(23)35-28(40)22-12-19-14-33-30(37-26(19)36-29(22)41)38-15-20-7-8-21(16-38)42-20;/h1-6,9,12-14,20-21,24H,7-8,10-11,15-16,32H2,(H,34,39)(H,35,40)(H,33,36,37,41);1H
|
| Chemical Name |
N-[5-[(3-amino-1-phenylpropyl)carbamoyl]-2-chlorophenyl]-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-7-oxo-8H-pyrido[2,3-d]pyrimidine-6-carboxamide;hydrochloride
|
| 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 Note: Please store this product in a sealed and protected environment, 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)
|
| Solubility (In Vitro) |
DMSO: 20.83 mg/mL (33.35 mM)
H2O: < 0.1 mg/mL |
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (3.33 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. Solubility in Formulation 2: ≥ 2.08 mg/mL (3.33 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in 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 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. View More
Solubility in Formulation 3: ≥ 2.08 mg/mL (3.33 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.6012 mL | 8.0061 mL | 16.0123 mL | |
| 5 mM | 0.3202 mL | 1.6012 mL | 3.2025 mL | |
| 10 mM | 0.1601 mL | 0.8006 mL | 1.6012 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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