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| 10mg |
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| Targets |
CE-245677 targets the receptor tyrosine kinases Tie2, TrkA, and TrkB. Tie2 is an angiogenic receptor tyrosine kinase involved in blood vessel formation and maintenance. TrkA and TrkB are receptors for neurotrophins, which are often upregulated in various cancers, including neuroblastoma and NTRK fusion-positive tumors. CE-245677 is a potent reversible inhibitor of these kinases.
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| ln Vitro |
CE-245677 exhibits >100-fold action against numerous additional angiogenic receptor tyrosine kinases (e.g., KDR, PDGFR, FGFR) selectivity. It is a strong and reversible inhibitor of Tie2 and TrkA/B kinases, with cellular IC50s of 4.7 and 1 nM, respectively[1].
CE-245677 is a potent reversible inhibitor of Tie2 and TrkA/B kinases with cellular IC50 values of 4.7 nM and 1 nM, respectively. It exhibits over 100-fold selectivity against various other angiogenic receptor tyrosine kinases, including KDR, PDGFR, and FGFR. It effectively inhibits Trk-mediated signaling pathways. |
| ln Vivo |
CE-245677 demonstrated good oral absorption (F=80%) in a rat PK investigation conducted in vivo [1].
Cellular IC50 values for Tie2 and TrkA/B are 4.7 nM and 1 nM, respectively. It has shown significant biological activity in preclinical models. The compound effectively inhibits Trk-mediated signaling pathways that are often upregulated in various cancers. |
| Enzyme Assay |
CE-245677's activity as a kinase inhibitor is assessed using in vitro kinase assays. These assays measure the compound's ability to inhibit the phosphorylation activity of Tie2, TrkA, and TrkB. IC50 values are determined from dose-response curves. Selectivity profiling against a panel of other kinases is performed to evaluate its specificity.
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| Cell Assay |
Cellular assays for CE-245677 involve treating cancer cell lines with the compound and measuring cell proliferation, viability, and signaling pathway inhibition. The compound's ability to inhibit Tie2-mediated angiogenesis and Trk-mediated signaling is assessed. Its effects on cell migration and invasion are also evaluated.
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| Animal Protocol |
In vivo animal model protocols for CE-245677 would involve its oral administration to tumor-bearing mice to evaluate its antitumor efficacy. The compound's effects on tumor growth, angiogenesis, and Trk-mediated signaling would be assessed. Pharmacokinetic studies would evaluate its absorption, distribution, metabolism, and excretion.
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| ADME/Pharmacokinetics |
CE-245677 is an orally bioavailable compound. It has a molecular weight of 513.38 and a molecular formula of C24H22Cl2N6O3. It is soluble in DMSO (≥ 100 mg/mL). Specific pharmacokinetic data is not extensively detailed in the available literature.
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| Toxicity/Toxicokinetics |
The toxicological profile of CE-245677 has not been extensively characterized. As a research compound, it is intended for research use only and not for human consumption. Standard safety assessments would be required for clinical development.
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| References | |
| Additional Infomation |
CE-245677 (CAS# 717899-97-3) is a research compound used to study the role of Tie2 and Trk kinases in cancer and angiogenesis. It is a potent, orally bioavailable, and reversible inhibitor of Tie2, TrkA, and TrkB. It is not approved for clinical use and is supplied as a research chemical.
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| Molecular Formula |
C24H22CL2N6O3
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|---|---|
| Molecular Weight |
513.3759
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| Exact Mass |
512.113
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| CAS # |
717899-97-3
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| Related CAS # |
941588-94-9 (mesylate);717899-97-3;941588-98-3;941588-96-1 (besylate);
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| PubChem CID |
16048643
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| Appearance |
White to off-white solid powder
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| LogP |
4.1
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
6
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| Heavy Atom Count |
35
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| Complexity |
761
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| Defined Atom Stereocenter Count |
0
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| SMILES |
ClC1C([H])=C(C([H])=C([H])C=1N([H])C(N([H])C1=C(C([H])=C([H])C(=C1[H])C(C1=C([H])N(C2C1=C(N([H])[H])N=C([H])N=2)C([H])(C([H])([H])[H])C([H])([H])[H])=O)OC([H])([H])[H])=O)Cl
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| InChi Key |
VFCRSIORGUNNGT-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C24H22Cl2N6O3/c1-12(2)32-10-15(20-22(27)28-11-29-23(20)32)21(33)13-4-7-19(35-3)18(8-13)31-24(34)30-17-6-5-14(25)9-16(17)26/h4-12H,1-3H3,(H2,27,28,29)(H2,30,31,34)
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| Chemical Name |
1-[5-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-2-methoxyphenyl]-3-(2,4-dichlorophenyl)urea
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| Synonyms |
CE245677; CE 245677; CE-245677
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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 : ~125 mg/mL (~243.48 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (4.05 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 (4.05 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 20.8 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.9479 mL | 9.7394 mL | 19.4787 mL | |
| 5 mM | 0.3896 mL | 1.9479 mL | 3.8957 mL | |
| 10 mM | 0.1948 mL | 0.9739 mL | 1.9479 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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