| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
XMD-17-51 TFA modulates various protein kinases including MPS1 (TTK), ERK5 (BMK1, MAPK7), and polo kinases 1, 2, 3, and 4. By inhibiting these kinases, the compound modulates signaling pathways involved in neuronal proliferation, differentiation, and Tau phosphorylation. Its targets include kinases involved in cell cycle regulation and neurodegenerative disease pathways.
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| ln Vitro |
XMD-17-51 TFA is a pyrimido-diazepinone compound that can be used to treat a variety of diseases, disorders, or conditions. It can modulate protein kinases, such as MPS1 (TTK), ERK5 (BMK1, MAPK7), polo kinase 1, 2, 3, or 4, Ack1, Ack2, Abl, DCAMKL1, ABL1, Abl mutants, DCAMKL2, ARK5, BRK, MKNK2, FGFR4, TNK1, PLK, ULK2, PLK, PRKD1, PRKD2, PRKD3, ROS1, RPS6KA6, TAOK1, TAOK3, TNK2, Bcr-Abl, GAK, cSrc, TPR -Met, Tie2, MET, FGFR3, Aurora, Axl, Bmx, BTK, c-kit, CHK2, Flt3, MST2, p70S6K, PDGFR, PKB, PKC, Raf, ROCK-H, Rsk1, SGK, TrkA, TrkB, and TrkC[1].
In vitro, XMD-17-51 TFA inhibits DYRK1A kinase activity, modulating Tau phosphorylation. It also modulates other protein kinases including MPS1 (TTK), ERK5 (BMK1, MAPK7), and polo kinases. The compound's activity has been characterized in kinase inhibition assays measuring phosphorylation of specific substrates. It is used in neurodegenerative disease research to study the role of DYRK1A and other kinases in disease pathogenesis. |
| ln Vivo |
In vivo, XMD-17-51 TFA has been studied for its potential in treating various diseases, disorders, or conditions. By modulating protein kinases, it may affect pathways involved in neuronal proliferation, differentiation, and Tau phosphorylation. The compound is used in neurodegenerative disease research, though specific in vivo efficacy data are limited in the available literature. In vivo studies would be required to evaluate its therapeutic potential.
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| Enzyme Assay |
Non-cellular assays for XMD-17-51 TFA would involve kinase inhibition assays. DYRK1A activity can be assessed using in vitro kinase assays with recombinant DYRK1A and a peptide substrate, measuring phosphorylation using radioactive or luminescent detection. IC₅₀ values can be determined for DYRK1A and other kinases using varying compound concentrations. Selectivity profiling can be performed using panels of recombinant kinases.
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| Cell Assay |
Cell-based assays for XMD-17-51 TFA would involve evaluating its effects on kinase signaling and cellular function. Neuronal cell lines or primary neurons could be treated with the compound, and DYRK1A-mediated phosphorylation of Tau and other substrates could be assessed by Western blot. Cell proliferation and differentiation assays could be performed to evaluate the compound's effects on neuronal development. Specific protocols for these assays are not extensively documented in the available literature.
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| Animal Protocol |
In vivo animal studies for XMD-17-51 TFA would typically involve neurodegenerative disease models such as transgenic mouse models of Alzheimer's disease or other tauopathies. Animals would be treated with the compound, and Tau phosphorylation, cognitive function, and neuropathology would be assessed. Pharmacokinetic and toxicity studies in relevant animal models would also be conducted. Specific protocols for these studies are not extensively documented in the search results.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for XMD-17-51 TFA have not been reported in the available literature. The compound is soluble in DMSO at 100 mg/mL, suggesting good solubility in organic solvents. No specific pharmacokinetic parameters have been characterized for this compound.
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| Toxicity/Toxicokinetics |
No toxicity data have been reported for XMD-17-51 TFA in the available literature. As a research compound, it should be handled with standard laboratory safety precautions. The compound is for research use only and is not for human therapeutic use. Its safety profile has not been evaluated in humans.
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| References | |
| Additional Infomation |
XMD-17-51 TFA is a research compound, not an approved pharmaceutical drug. It is a pyrimido-diazepinone compound that functions as a protein kinase modulator and a selective DYRK1A inhibitor. It modulates Tau phosphorylation and signaling pathways involved in neuronal proliferation and differentiation and is used in neurodegenerative disease research. The compound also modulates MPS1, ERK5, and polo kinases. XMD-17-51 TFA is for research use only.
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| Molecular Formula |
C23H25F3N8O3
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|---|---|
| Molecular Weight |
518.49
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| Exact Mass |
518.2
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| CAS # |
2436579-93-8
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| Related CAS # |
XMD-17-51;1628614-50-5
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| PubChem CID |
134821692
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| Appearance |
White to off-white solid powder
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
12
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
37
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| Complexity |
697
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1(CCNCC1)N1C=C(C=N1)NC1N=CC2N(C(C3C(=CC=CC=3)N(C=2N=1)C)=O)C.OC(=O)C(F)(F)F
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| InChi Key |
LCEQZCVFZRUKMK-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C21H24N8O.C2HF3O2/c1-27-17-6-4-3-5-16(17)20(30)28(2)18-12-23-21(26-19(18)27)25-14-11-24-29(13-14)15-7-9-22-10-8-15;3-2(4,5)1(6)7/h3-6,11-13,15,22H,7-10H2,1-2H3,(H,23,25,26);(H,6,7)
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| Chemical Name |
5,11-dimethyl-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimido[4,5-b][1,4]benzodiazepin-6-one;2,2,2-trifluoroacetic acid
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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, 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: 100 mg/mL (192.87 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (4.82 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 25.0 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: ≥ 2.5 mg/mL (4.82 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 25.0 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: ≥ 2.5 mg/mL (4.82 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 | 1.9287 mL | 9.6434 mL | 19.2868 mL | |
| 5 mM | 0.3857 mL | 1.9287 mL | 3.8574 mL | |
| 10 mM | 0.1929 mL | 0.9643 mL | 1.9287 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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