ML 786 dihydrochlorideRaf kinase inhibitor CAS# 1237536-18-3 |
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Quality Control & MSDS
Number of papers citing our products
Chemical structure
3D structure
| Cas No. | 1237536-18-3 | SDF | Download SDF |
| PubChem ID | 90488999 | Appearance | Powder |
| Formula | C29H31Cl2F3N4O3 | M.Wt | 611.48 |
| Type of Compound | N/A | Storage | Desiccate at -20°C |
| Solubility | Soluble to 100 mM in water and to 100 mM in DMSO | ||
| Chemical Name | 3-(2-aminopropan-2-yl)-N-[(2R)-7-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-5-(trifluoromethyl)benzamide;dihydrochloride | ||
| SMILES | CC(C)(C1=CC(=CC(=C1)C(=O)NC2CCC3=C(C2)C=C(C=C3)OC4=C5CCC(=O)NC5=NC=C4)C(F)(F)F)N.Cl.Cl | ||
| Standard InChIKey | DNMWHXHMDZCGEX-GHVWMZMZSA-N | ||
| Standard InChI | InChI=1S/C29H29F3N4O3.2ClH/c1-28(2,33)19-11-18(12-20(15-19)29(30,31)32)27(38)35-21-5-3-16-4-6-22(14-17(16)13-21)39-24-9-10-34-26-23(24)7-8-25(37)36-26;;/h4,6,9-12,14-15,21H,3,5,7-8,13,33H2,1-2H3,(H,35,38)(H,34,36,37);2*1H/t21-;;/m1../s1 | ||
| 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 | Potent Raf kinase inhibitor (IC50 values are 2.1, 2.5 and 4.2 nM for B-RafV600E, C-Raf and wild-type B-Raf respectively). Also inhibits Abl-1, DDR2, EPHA2 and RET tyrosine kinase activity. Inhibits pERK formation and attenuates tumor growth in melanoma cell xenografts expressing the B-RafV600E mutation in vivo. Orally bioavailable. |
ML 786 dihydrochloride Dilution Calculator
ML 786 dihydrochloride Molarity Calculator
| 1 mg | 5 mg | 10 mg | 20 mg | 25 mg | |
| 1 mM | 1.6354 mL | 8.1769 mL | 16.3538 mL | 32.7075 mL | 40.8844 mL |
| 5 mM | 0.3271 mL | 1.6354 mL | 3.2708 mL | 6.5415 mL | 8.1769 mL |
| 10 mM | 0.1635 mL | 0.8177 mL | 1.6354 mL | 3.2708 mL | 4.0884 mL |
| 50 mM | 0.0327 mL | 0.1635 mL | 0.3271 mL | 0.6542 mL | 0.8177 mL |
| 100 mM | 0.0164 mL | 0.0818 mL | 0.1635 mL | 0.3271 mL | 0.4088 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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IC50: 2.1, 2.5 and 4.2 nM for B-RafV600E, C-Raf and wild-type B-Raf, respectively
ML 786 is a potent Raf kinase inhibitor.
As one component of MAPK signal transduction pathway, the Raf isoform B-Raf has a high rate of activating mutation in melanoma (50-70%) and other cancers including papillary thyroid, ovarian, and colorectal. Inhibition of mutant B-Raf signaling, via either direct inhibition of the enzyme or inhibition of MEK, which is the direct substrate of Raf, has been demonstrated preclinically to inhibit tumor growth.
In vitro: ML 786 and its analog had been found to inhibit a significant number of kinases and were inhibitors of wild-type B-Raf and C-Raf. Although ML 786 and its analog displayed significant receptor tyrosine kinase activity, it was likely that such additional activity would not significantly contribute to pERK inhibition in melanoma tumors with constituitively activated B-Raf [1].
In vivo: ML 786 and its analog were found to have activity in vivo, as demonstrated by the fact that both compounds strongly inhibited the in vivo Raf pathway following a 75 or 100 mg/kg oral dose [1].
Clinical trial: N/A
Reference:
[1] Gould AE,Adams R,Adhikari S. Design and optimization of potent and orally bioavailable tetrahydronaphthalene Raf inhibitors. J Med Chem.2011 Mar 24;54(6):1836-46.
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Design and optimization of potent and orally bioavailable tetrahydronaphthalene Raf inhibitors.[Pubmed:21341678]
J Med Chem. 2011 Mar 24;54(6):1836-46.
Inhibition of mutant B-Raf signaling, through either direct inhibition of the enzyme or inhibition of MEK, the direct substrate of Raf, has been demonstrated preclinically to inhibit tumor growth. Very recently, treatment of B-Raf mutant melanoma patients with a selective B-Raf inhibitor has resulted in promising preliminary evidence of antitumor activity. This article describes the design and optimization of tetrahydronaphthalene-derived compounds as potent inhibitors of the Raf pathway in vitro and in vivo. These compounds possess good pharmacokinetic properties in rodents and inhibit B-Raf mutant tumor growth in mouse xenograft models.
