| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
BRafV600E
The primary target of B-Raf IN 2 is BRAF (B-Raf proto-oncogene, serine/threonine-protein kinase). BRAF is a key component of the RAS/RAF/MEK/ERK signaling pathway, which regulates cell proliferation, differentiation, and survival. Activating mutations in BRAF, particularly the V600E mutation, are commonly found in various cancers, including melanoma, colorectal cancer, and thyroid cancer. B-Raf IN 2 is a potent and selective BRAF inhibitor. |
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| ln Vitro |
While maintaining high potency, B-Raf IN 2 exhibits significantly less paradoxical activation of the MAPK signaling pathway[1].
B-Raf IN 2 is a potent and selective BRAF inhibitor that shows considerably less paradoxical activation of the MAPK signaling pathway while retaining high potency. Paradoxical activation refers to the phenomenon where certain BRAF inhibitors can paradoxically activate the MAPK pathway in cells with wild-type BRAF or RAS mutations. By minimizing this effect, B-Raf IN 2 may offer improved therapeutic outcomes with reduced side effects. The compound is supplied with a purity of 99.27%. |
| ln Vivo |
In vivo, B-Raf IN 2 is used to study the role of BRAF in cancer. Its reduced paradoxical activation of the MAPK signaling pathway suggests it may have a more favorable safety profile than some other BRAF inhibitors. The compound's efficacy would be assessed in animal models of BRAF-mutant cancers, with endpoints including tumor growth inhibition, survival, and analysis of MAPK pathway signaling.
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| Enzyme Assay |
In vitro enzyme activity assays for B-Raf IN 2 typically involve measuring its ability to inhibit BRAF kinase activity. Recombinant BRAF enzyme is incubated with its substrate (MEK) in the presence of ATP and increasing concentrations of the compound. Kinase activity is measured by detecting phosphorylation of MEK, and the IC50 is determined from the dose-response curve. The compound's ability to reduce paradoxical activation of the MAPK pathway is assessed in cells with wild-type BRAF or RAS mutations.
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| Cell Assay |
Cellular assays for B-Raf IN 2 involve treating BRAF-mutant cancer cell lines with the compound and measuring its effects on cell proliferation, MAPK pathway signaling, and apoptosis. Readouts include inhibition of ERK phosphorylation, reduction of cell viability, and induction of apoptosis. The compound's reduced paradoxical activation is confirmed in cells with wild-type BRAF or RAS mutations.
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| Animal Protocol |
In vivo efficacy of B-Raf IN 2 would be evaluated in mouse xenograft models of BRAF-mutant cancers. The compound could be administered orally or via injection. Efficacy endpoints would include tumor growth inhibition, survival, and analysis of MAPK pathway signaling in tumor tissue. Its reduced paradoxical activation may translate to a more favorable safety profile in vivo.
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| ADME/Pharmacokinetics |
B-Raf IN 2 has a molecular weight of 461.44 and a molecular formula of C20H17F2N5O4S. It is a potent and selective BRAF inhibitor. The compound shows considerably less paradoxical activation of the MAPK signaling pathway while retaining high potency. It is supplied with a purity of 99.27% and should be stored in a cool, dry place. The compound is for research use only and is not intended for human therapeutic use.
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| Toxicity/Toxicokinetics |
No specific toxicity data is available for B-Raf IN 2 in the provided literature. As a research compound, its safety profile would be an important consideration for in vivo applications. Its reduced paradoxical activation of the MAPK pathway suggests it may have a more favorable safety profile than some other BRAF inhibitors. Standard preclinical safety studies would be required to evaluate its safety for potential therapeutic applications. The compound is for research use only and is not intended for human therapeutic use.
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| References | |
| Additional Infomation |
(3R)-N-(2-cyano-4-fluoro-3-((3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)oxy)phenyl)-3-fluoropyrrolidine-1-sulfonamide is a small molecule drug. The international nonproprietary name prefix "-rafenib" indicates that mospafenib is a Raf (rapidly accelerating fibrosarcoma) kinase inhibitor. The monoisotopic molecular weight of mospafenib is 461.1 Da.
B-Raf IN 2 is a potent and selective BRAF inhibitor. It is compound Ia from patent WO2021116055A1. B-Raf IN 2 has a molecular formula of C20H17F2N5O4S and a molecular weight of 461.44. It shows considerably less paradoxical activation of the MAPK signaling pathway while retaining high potency. B-Raf IN 2 is a valuable research tool for studying oncogenic kinase signaling and holds potential for developing targeted therapies against cancers harboring activating B-Raf mutations. |
| Molecular Formula |
C20H17F2N5O4S
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|---|---|
| Molecular Weight |
461.44
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| Exact Mass |
461.096
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| CAS # |
2649372-20-1
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| PubChem CID |
156473463
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| Appearance |
Off-white to light yellow solid powder
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| LogP |
2.2
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
10
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
32
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| Complexity |
903
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| Defined Atom Stereocenter Count |
1
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| SMILES |
N1(S(NC2=CC=C(F)C(OC3C=CC4=C(C=3)C(=O)N(C)C=N4)=C2C#N)(=O)=O)CC[C@@H](F)C1
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| InChi Key |
ZUXPFTYMSHPRQX-GFCCVEGCSA-N
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| InChi Code |
InChI=1S/C20H17F2N5O4S/c1-26-11-24-17-4-2-13(8-14(17)20(26)28)31-19-15(9-23)18(5-3-16(19)22)25-32(29,30)27-7-6-12(21)10-27/h2-5,8,11-12,25H,6-7,10H2,1H3/t12-/m1/s1
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| Chemical Name |
(3R)-N-[2-cyano-4-fluoro-3-(3-methyl-4-oxoquinazolin-6-yl)oxyphenyl]-3-fluoropyrrolidine-1-sulfonamide
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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 (e.g. under nitrogen), avoid exposure to moisture and light. |
| 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 (216.71 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.42 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 25.0 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 | 2.1671 mL | 10.8356 mL | 21.6713 mL | |
| 5 mM | 0.4334 mL | 2.1671 mL | 4.3343 mL | |
| 10 mM | 0.2167 mL | 1.0836 mL | 2.1671 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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