| Size | Price | Stock | Qty |
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| 10mg |
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| 25mg |
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| 50mg | |||
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| Other Sizes |
Purity: ≥98%
| Targets |
The primary targets of this compound are tyrosine kinases, and it has been identified as a B-Raf inhibitor (B-Raf IN). Tyrosine kinases are enzymes that catalyze the transfer of a phosphate group from ATP to tyrosine residues in proteins, playing a critical role in signal transduction pathways that regulate cell growth, proliferation, and survival. By inhibiting these kinases, the compound blocks downstream signaling pathways involved in cancer cell proliferation.
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| ln Vitro |
Tyrosine kinases are crucial signaling cascade mediators that control a variety of biological processes in response to internal and external stimuli, including growth, differentiation, metabolism, and apoptosis[1].
The compound is a tyrosine kinase inhibitor that has been shown to have antiproliferative activity. It is used in combination with fragmenting aromatic nitrogen compounds as antiproliferative agents. Specific IC50 values for inhibition of various kinases are not detailed in the available sources. The compound's activity is consistent with its classification as a TKI. |
| ln Vivo |
In vivo activity data for this compound are not detailed in the available sources. As a tyrosine kinase inhibitor, its potential application is in cancer research. Specific in vivo efficacy studies (e.g., xenograft models) have not been described in the available literature. The compound's structure suggests it may have been designed as an anticancer agent.
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| Enzyme Assay |
The kinase inhibition assay for this compound typically involves incubating it with a recombinant tyrosine kinase (e.g., B-Raf) in the presence of ATP and a substrate. The reaction is carried out in a kinase buffer optimized for the target kinase. After incubation, the amount of phosphorylated substrate is quantified using a luminescence-based kinase assay (e.g., ADP-Glo) or HTRF. IC50 values are calculated from dose-response curves generated with varying concentrations of the compound. Specific protocols are not detailed in the available sources.
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| Cell Assay |
To evaluate the antiproliferative activity of the compound, cancer cells are plated in 96-well plates and treated with varying concentrations of the compound. After 72 hours of incubation, cell viability is measured using an MTT or SRB assay. The GI50 (concentration causing 50% growth inhibition) is calculated. The compound's activity is assessed in combination with fragmenting aromatic nitrogen compounds to evaluate potential synergistic effects.
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| Animal Protocol |
Specific in vivo animal experiment protocols for this compound are not detailed in the available sources. The compound has not been described in the context of xenograft models or other in vivo efficacy studies. Given its in vitro activity as a tyrosine kinase inhibitor, it may be evaluated in standard xenograft models in future studies, but such data are not currently available.
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| ADME/Pharmacokinetics |
Specific pharmacokinetic data for this compound are not provided in the available sources. The compound is a small molecule with a molecular weight of 586.61. Standard pharmacokinetic studies would typically involve administering the compound to rodents and measuring plasma concentrations over time using LC-MS/MS to determine key PK parameters, but such data are not currently available.
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| Toxicity/Toxicokinetics |
Specific toxicity data for this compound are not provided in the available sources. As a research compound, it is intended for laboratory use only and is not approved for human therapeutic applications. The compound is available with a purity of >98%. Standard safety precautions should be followed when handling this compound.
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| References | |
| Additional Infomation |
Tyrosine kinase inhibitors are any substances that can inhibit tyrosine kinases. Tyrosine kinases are enzymes involved in various extracellular and intracellular signal transduction and processing, including cell proliferation. Inhibition of tyrosine kinases can lead to suppression of cell growth and proliferation.
This compound is a tyrosine kinase inhibitor also known as MDK-0264 and B-Raf IN. Its IUPAC name is N-(4-fluorophenyl)-N-(4-((2-((2-morpholinoethyl)carbamoyl)-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy)phenyl)cyclopropane-1,1-dicarboxamide. It has a CAS number of 1021950-26-4. The compound is used as an antiproliferative agent in combination with fragmenting aromatic nitrogen compounds and is supplied for research purposes. |
| Molecular Formula |
C31H31FN6O5
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|---|---|
| Molecular Weight |
586.61344
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| Exact Mass |
586.234
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| Elemental Analysis |
C, 63.47; H, 5.33; F, 3.24; N, 14.33; O, 13.64
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| CAS # |
1021950-26-4
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| Related CAS # |
1021950-26-4
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| PubChem CID |
24956525
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| Appearance |
White to off-white solid powder
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| LogP |
4.388
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| Hydrogen Bond Donor Count |
4
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| Hydrogen Bond Acceptor Count |
8
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| Rotatable Bond Count |
10
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| Heavy Atom Count |
43
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| Complexity |
978
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O=C(NC1=CC=C(C=C1)F)C2(CC2)C(NC3=CC=C(C=C3)OC4=C5C(NC(C(NCCN6CCOCC6)=O)=C5)=NC=C4)=O
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| InChi Key |
PKOVTRMHYNEBDU-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C31H31FN6O5/c32-20-1-3-21(4-2-20)35-29(40)31(10-11-31)30(41)36-22-5-7-23(8-6-22)43-26-9-12-33-27-24(26)19-25(37-27)28(39)34-13-14-38-15-17-42-18-16-38/h1-9,12,19H,10-11,13-18H2,(H,33,37)(H,34,39)(H,35,40)(H,36,41)
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| Chemical Name |
1-N'-(4-fluorophenyl)-1-N-[4-[[2-(2-morpholin-4-ylethylcarbamoyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]cyclopropane-1,1-dicarboxamide
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| Synonyms |
Tyrosine kinase inhibitor; B-Raf IN, B-Raf Inhibitor
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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: ≥ 46 mg/mL (~78.4 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (4.26 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 (4.26 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 (4.26 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 | 1.7047 mL | 8.5236 mL | 17.0471 mL | |
| 5 mM | 0.3409 mL | 1.7047 mL | 3.4094 mL | |
| 10 mM | 0.1705 mL | 0.8524 mL | 1.7047 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.
| NCT Number | Recruitment | interventions | Conditions | Sponsor/Collaborators | Start Date | Phases |
| NCT04326933 | Active Recruiting |
Drug: Tyrosine kinase Inhibitors (Imatinib & Nilotinib) |
Patients Diagnosed as Chronic Meyloid Leukemia |
Assiut University | January 1, 2020 | |
| NCT05753384 | Not yet recruiting | Drug: treatment of TKI in CML | Tyrosine Kinase Inhibitors Chronic Myeloid Leukemia |
Poitiers University Hospital | October 15, 2023 | Phase 3 |
| NCT04974866 | Recruiting | Drug: EGFR-TK Inhibitor | Carcinoma, Adenoid Cystic | Qingdao Central Hospital | July 1, 2021 | Phase 2 |
| NCT05445791 | Recruiting | Drug: Metformin Hydrochloride Other: Placebo |
Non Small Cell Lung Cancer | Instituto Nacional de Cancerologia de Mexico |
July 15, 2021 | Phase 3 |
| NCT04425135 | Not yet recruiting | Drug: Camrelizumab Drug: Apatinib |
Lung Neoplasms | The First Affiliated Hospital of Xiamen University |
July 2020 | Phase 2 |
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