B-Raf inhibitor 1 dihydrochlorideB-Raf inhibitor,potent and selective CAS# 1191385-19-9 |
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Quality Control & MSDS
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Chemical structure
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| Cas No. | 1191385-19-9 | SDF | Download SDF |
| PubChem ID | 44247765 | Appearance | Powder |
| Formula | C26H21Cl3N8 | M.Wt | 551.86 |
| Type of Compound | N/A | Storage | Desiccate at -20°C |
| Solubility | Soluble in DMSO | ||
| Chemical Name | 1-N-(4-chlorophenyl)-6-methyl-5-N-[3-(7H-purin-6-yl)pyridin-2-yl]isoquinoline-1,5-diamine;dihydrochloride | ||
| SMILES | CC1=C(C2=C(C=C1)C(=NC=C2)NC3=CC=C(C=C3)Cl)NC4=C(C=CC=N4)C5=C6C(=NC=N5)N=CN6.Cl.Cl | ||
| Standard InChIKey | HRLQRNBAJCQMMG-UHFFFAOYSA-N | ||
| Standard InChI | InChI=1S/C26H19ClN8.2ClH/c1-15-4-9-19-18(10-12-29-24(19)34-17-7-5-16(27)6-8-17)21(15)35-25-20(3-2-11-28-25)22-23-26(32-13-30-22)33-14-31-23;;/h2-14H,1H3,(H,28,35)(H,29,34)(H,30,31,32,33);2*1H | ||
| General tips | For obtaining a higher solubility , please warm the tube at 37 ℃ and shake it in the ultrasonic bath for a while.Stock solution can be stored below -20℃ for several months. We recommend that you prepare and use the solution on the same day. However, if the test schedule requires, the stock solutions can be prepared in advance, and the stock solution must be sealed and stored below -20℃. In general, the stock solution can be kept for several months. Before use, we recommend that you leave the vial at room temperature for at least an hour before opening it. |
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| About Packaging | 1. The packaging of the product may be reversed during transportation, cause the high purity compounds to adhere to the neck or cap of the vial.Take the vail out of its packaging and shake gently until the compounds fall to the bottom of the vial. 2. For liquid products, please centrifuge at 500xg to gather the liquid to the bottom of the vial. 3. Try to avoid loss or contamination during the experiment. |
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| Shipping Condition | Packaging according to customer requirements(5mg, 10mg, 20mg and more). Ship via FedEx, DHL, UPS, EMS or other couriers with RT, or blue ice upon request. | ||
| Description | B-Raf inhibitor 1 dihydrochloride is a potent and selective inhibitor of B-Raf with IC50 values of 0.31 μM and 2 nM for A375 proliferation and A375 p-ERK, respectively. | |||||
| Targets | A375 proliferation | A375 p-ERK | ||||
| IC50 | 0.31 μM | 2 nM | ||||
B-Raf inhibitor 1 dihydrochloride Dilution Calculator
B-Raf inhibitor 1 dihydrochloride Molarity Calculator
| 1 mg | 5 mg | 10 mg | 20 mg | 25 mg | |
| 1 mM | 1.8121 mL | 9.0603 mL | 18.1205 mL | 36.2411 mL | 45.3013 mL |
| 5 mM | 0.3624 mL | 1.8121 mL | 3.6241 mL | 7.2482 mL | 9.0603 mL |
| 10 mM | 0.1812 mL | 0.906 mL | 1.8121 mL | 3.6241 mL | 4.5301 mL |
| 50 mM | 0.0362 mL | 0.1812 mL | 0.3624 mL | 0.7248 mL | 0.906 mL |
| 100 mM | 0.0181 mL | 0.0906 mL | 0.1812 mL | 0.3624 mL | 0.453 mL |
| * Note: If you are in the process of experiment, it's necessary to make the dilution ratios of the samples. The dilution data above is only for reference. Normally, it's can get a better solubility within lower of Concentrations. | |||||
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B-Raf inhibitor 1 is an inhibitor of B-Raf kinase with IC50 values of 0.31μM and 0.72μM for cell proliferation, respectively in A375 and HCT116 [1].
B-Raf is important in signal transduction and some mutant B-Raf occurs in cancer cells. The most common mutation of these is V600E, which makes B-Raf kinase constitutively active. B-Raf inhibitor 1 belongs to the type IIA inhibitors and binds to the DFG-out ATP-binding site of B-Raf. The selectivity of B-Raf inhibitor 1 is less than of other type inhibitors. Besides mutant B-Raf, it can also inhibit wild type B-Raf and other tyrosine kinase. In cells with wild type B-Raf, B-Raf inhibitor 1 can activate the RAF-MEK-ERK signaling pathway via Raf dimerization. The preclinical toxicity test shows B-Raf inhibitor 1 can induce hyperplasia in a mouse model [1, 2].
References:
[1] Wang X, Kim J. Conformation-specific effects of Raf kinase inhibitors. J Med Chem. 2012 Sep 13;55(17):7332-41.
[2] Smith AL, DeMorin FF, Paras NA, Huang Q, Petkus JK, Doherty EM, Nixey T, Kim JL, Whittington DA, Epstein LF, Lee MR, Rose MJ, Babij C, Fernando M, Hess K, Le Q, Beltran P, Carnahan J. Selective inhibitors of the mutant B-Raf pathway: discovery of a potent and orally bioavailable aminoisoquinoline. J Med Chem. 2009 Oct 22;52(20):6189-92.
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B-Raf inhibitor 1 dihydrochloride is a potent Raf kinase inhibitor with Kis of 1 nM, 1 nM, and 0.3 nM for B-RafWT, B-RafV600E, and C-Raf, respectively.
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