| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 50mg |
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| 100mg |
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| 250mg | |||
| Other Sizes |
| Targets |
B-Raf
Vemurafenib-Analog targets BRAF kinase, specifically the V600E mutant form of BRAF which is commonly found in melanoma and other cancers. As an ATP-competitive inhibitor, it binds to the ATP-binding site of BRAF(V600E) kinase, preventing its activation and downstream signaling through the MAPK/ERK pathway. |
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| ln Vitro |
Vemurafenib-Analog is a potent BRAF inhibitor. While direct activity data for this specific analog are limited, the parent compound vemurafenib demonstrates potent inhibition of BRAF(V600E) kinase. Among FDA-approved BRAF inhibitors, vemurafenib shows the strongest induction of paradoxical ERK activation in wild-type BRAF cells, quantified by its Paradox Index of 5.5.
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| ln Vivo |
Specific in vivo efficacy data for Vemurafenib-Analog are not extensively detailed in standard reference sources. As an analog of vemurafenib, it would be expected to show antitumor activity in BRAF(V600E)-driven tumor xenograft models. Studies in melanoma and other BRAF-mutant cancer models would be required to fully characterize its in vivo efficacy and potential differences from the parent compound.
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| Enzyme Assay |
Vemurafenib-Analog's inhibition of BRAF kinase can be assessed using in vitro kinase assays. Recombinant BRAF(V600E) kinase is incubated with its substrate (MEK1) and ATP in the presence of varying concentrations of the compound. The amount of phosphorylated MEK1 is measured using a suitable detection method (e.g., ELISA, Western blot, or radiometric assay) to determine the IC50.
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| Cell Assay |
The cellular activity of Vemurafenib-Analog is evaluated in BRAF(V600E)-mutant cancer cell lines (e.g., A375 melanoma cells). Cells are treated with increasing concentrations of the compound, and cell viability is assessed using MTT or CellTiter-Glo assays. MAPK/ERK pathway inhibition is confirmed by measuring phosphorylation of MEK and ERK by Western blot. Paradoxical ERK activation in wild-type BRAF cells can also be assessed.
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| Animal Protocol |
Vemurafenib-Analog would be administered orally to tumor-bearing mice in xenograft models of BRAF(V600E)-mutant cancers. Tumor volumes are measured twice weekly, and body weights are monitored for toxicity. At study termination, tumors are excised for analysis of BRAF/MEK/ERK pathway inhibition and apoptosis markers. Pharmacokinetic parameters would also be assessed.
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| ADME/Pharmacokinetics |
Vemurafenib-Analog has a molecular formula of C23H18ClF2N3O3S and a molecular weight of 489.92 g/mol. It is an analog of vemurafenib (PLX4032). Specific pharmacokinetic parameters such as half-life, bioavailability, and plasma protein binding are not extensively detailed for this analog.
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| Toxicity/Toxicokinetics |
The toxicity profile of Vemurafenib-Analog is not extensively documented. As a BRAF inhibitor, potential adverse effects may include those associated with BRAF inhibition, such as cutaneous squamous cell carcinoma, arthralgia, and fatigue. Specific LD50 values and organ-specific toxicity data are not readily available.
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| References | |
| Additional Infomation |
Receptor protein kinases regulate key signal transduction cascades that control or participate in the regulation of numerous physiological functions, including cell growth and proliferation, cell differentiation, cell development, cell division, cell adhesion, stress response, short-range contact-mediated axonal guidance, transcriptional regulation, aberrant mitosis, angiogenesis, aberrant endothelial cell-cell or cell-matrix interactions during angiogenesis, inflammation, lymphohematopoietic stem cell activity, protective immunity against specific bacteria, allergic asthma, aberrant tissue-specific responses to INK signaling pathway activation, cell transformation, memory, apoptosis, competitive activity-dependent synaptic modification of neuromuscular synapses, immune-mediated disease, and calcium regulation. Therefore, many specific disease states are associated with aberrant regulation of protein kinases. Consequently, there is a need in the art for more compounds and their uses to modulate receptor protein kinases for the treatment of various diseases. [1] This invention relates to compounds acting on general protein kinases, including but not limited to B-Raf, c-Raf-1, Fms, Jnk1, Jnk2, Jnk3 and/or Kit, including any mutants of these kinases, and the use of these compounds in the treatment of diseases and conditions related to the regulation of kinase activity. Specifically, this invention relates to compounds of Formula III as described below. Therefore, this invention provides novel uses of compounds for therapeutic methods involving the regulation of protein kinases, and novel compounds that can be used in therapeutic methods involving the regulation of protein kinases. [1]
Vemurafenib-Analog (CAS# 918505-61-0) is a potent BRAF inhibitor and an isomer of vemurafenib. It is an ATP-competitive, small-molecule inhibitor of BRAF(V600E) kinase with potential antineoplastic activity. The compound is a research tool for studying BRAF-driven cancers and resistance mechanisms. |
| Molecular Formula |
C22H18N4O2F2S
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|---|---|
| Molecular Weight |
440.46572
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| Exact Mass |
456.11
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| Elemental Analysis |
C, 57.89; H, 3.97; F, 8.32; N, 12.27; O, 10.51; S, 7.02
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| CAS # |
918505-61-0
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| Related CAS # |
918505-61-0 (analog);918504-65-1;
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| Appearance |
White to off-white solid powder
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| Density |
1.45
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| LogP |
5.556
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| InChi Key |
SUNCACOTKLUNHD-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C22H18F2N4O3S/c1-12(2)32(30,31)28-18-6-5-17(23)19(20(18)24)21(29)16-11-27-22-15(16)8-14(10-26-22)13-4-3-7-25-9-13/h3-12,28H,1-2H3,(H,26,27)
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| Chemical Name |
N-(2,4-difluoro-3-(5-(pyridin-3-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl)propane-2-sulfonamide
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| Synonyms |
PLX-4032-analog; PLX 4032 analog; PLX4032 analog; RO5185426 analog; R-7204 analog; RG 7204 analog; RO-5185426 analog; Vemurafenib-Analog
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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 : ~50 mg/mL (~109.54 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.48 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 (5.48 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 (5.48 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 | 2.2703 mL | 11.3515 mL | 22.7030 mL | |
| 5 mM | 0.4541 mL | 2.2703 mL | 4.5406 mL | |
| 10 mM | 0.2270 mL | 1.1352 mL | 2.2703 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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