| Size | Price | Stock | Qty |
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| 1mg |
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| Other Sizes |
| Targets |
The primary target of B-Raf IN 14 is BRAF (B-Raf proto-oncogene, serine/threonine-protein kinase). BRAF is a key component of the RAS/RAF/MEK/ERK signaling pathway. B-Raf IN 14 inhibits BRAF with an IC50 of 11.08 μM. It was identified through an in silico screening strategy for inhibitors of the BRAF kinase. The compound is a purine-2,6-dione derivative.
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| ln Vitro |
B-Raf IN 14 inhibits BRAF with an IC50 of 11.08 μM. It can be used in cancer-related research. The compound was identified through an in silico screening strategy. Its molecular structure is a purine-2,6-dione derivative. Specific in vitro activity data beyond the IC50 is not detailed in the provided literature.
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| ln Vivo |
In vivo, B-Raf IN 14 would be expected to exert antitumor effects through BRAF inhibition. Its efficacy would be assessed in animal models of BRAF-mutant cancers, with endpoints including tumor growth inhibition and analysis of MAPK pathway signaling. However, specific in vivo data for B-Raf IN 14 is not detailed in the provided literature.
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| Enzyme Assay |
In vitro enzyme activity assays for B-Raf IN 14 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 reported IC50 is 11.08 μM.
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| Cell Assay |
Cellular assays for B-Raf IN 14 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.
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| Animal Protocol |
In vivo efficacy of B-Raf IN 14 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 and analysis of MAPK pathway signaling in tumor tissue.
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| ADME/Pharmacokinetics |
B-Raf IN 14 has a molecular weight of 424.27 and a molecular formula of C15H14BrN5O3S. It is a BRAF inhibitor with an IC50 of 11.08 μM. The compound is a purine-2,6-dione derivative identified through an in silico screening strategy. It can be used in cancer-related research. 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 14 in the provided literature. As a research compound, its safety profile would be an important consideration for in vivo applications. Potential toxicities could be related to its effects on MAPK pathway signaling in normal tissues. 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 |
B-Raf IN 14 (Compound 25) is a BRAF inhibitor with an IC50 of 11.08 μM. It was identified through an in silico screening strategy for inhibitors of the BRAF kinase. B-Raf IN 14 has a molecular formula of C15H14BrN5O3S and a molecular weight of 424.27. It is a purine-2,6-dione derivative and can be used in cancer-related research.
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| Molecular Formula |
C15H14BRN5O3S
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|---|---|
| Molecular Weight |
424.27236032486
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| Exact Mass |
423
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| CAS # |
326918-98-3
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| PubChem CID |
985658
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| Appearance |
Typically exists as solid at room temperature
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| LogP |
1.5
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
25
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| Complexity |
565
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC(=O)N)CC3=CC(=CC=C3)Br
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| InChi Key |
HKKJJBUQMXEHOW-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C15H14BrN5O3S/c1-20-12-11(13(23)19-14(20)24)21(15(18-12)25-7-10(17)22)6-8-3-2-4-9(16)5-8/h2-5H,6-7H2,1H3,(H2,17,22)(H,19,23,24)
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| Chemical Name |
2-[7-[(3-bromophenyl)methyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetamide
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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) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.3570 mL | 11.7849 mL | 23.5699 mL | |
| 5 mM | 0.4714 mL | 2.3570 mL | 4.7140 mL | |
| 10 mM | 0.2357 mL | 1.1785 mL | 2.3570 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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