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CAS No. : | 939791-41-0 | MDL No. : | MFCD17170115 |
Formula : | C21H21ClF3N7O3S | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | - |
M.W : | 543.95 | Pubchem ID : | - |
Synonyms : |
VS-6062(hydrochloride);PF-562271 hydrochloride
|
Signal Word: | Class: | ||
Precautionary Statements: | UN#: | ||
Hazard Statements: | Packing Group: |
* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With hydrogenchloride In 1,4-dioxane; ethanol at 20℃; for 168h; | 5 Preparation and Analysis of HCl Salt of N-Methyl-N-(3-[2-(2-oxo-2,3-dihydro-1H-indol-5-ylamino)-5-trifluoromethyl-pyrimidin-4-ylamino]-methyl}-pyridin-2-yl)-methanesulfonamide A solution of N-Methyl-N-(3-[2-(2-oxo-2,3-dihydro-1H-indol-5-ylamino)-5-trifluoromethyl-pyrimidin-4-ylamino]-methyl}-pyridin-2-yl)-methanesulfonamide (100 mg, 0.20 mmol) in ethanol (5 mL) was heated on a steam bath until completely dissolved. Ethanol (1 mL) was added to the solution and cooled to room temperature. Hydrochloric acid (4M in dioxane, 0.054 mL, 0.22 mmol) was added to the solution and stirred for 7 days. The reaction mixture was filtered and dried to provide the title complex as a white solid. MP 124° C. (DSC); Hygroscopicity: 2.7% (by weight) at 90% relative humidity at ambient temperature (RH); Characteristic X-ray powder diffraction peaks (2-theta, [% relative intensity]): 3.632 [42.9], 4.889 [36], 5.824 [54.8], 7.998 [92.7], 11.458 [60.7], 12.725 [46.5], 14.911 [68.3], 15.528 [61.1], 18.545 [83.2], 19.147 [67.3], 20.747 [61.4], 21.04 [51.2], 22.696 [40.3], 23.293 [45.5], 25.198 [39.9], 26.05 [100] and 26.32 [83.2]; Combustion analysis (theoretical/experimental) of mono HCl salt as the anhydrate: carbon (46.37/46.39), hydrogen (3.89/3.88), nitrogen (18.03/17.83), fluorine (10.48/10.69), sulfur (5.89/5.88). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 3 steps 1.1: zinc dibromide / 1,2-dichloro-ethane; <i>tert</i>-butyl alcohol / 0.5 h 1.2: 35 °C / Industry scale 2.1: diisopropylamine / isopropyl alcohol; toluene / 6.4 h / 10 - 90 °C / Industry scale 3.1: hydrogenchloride / 1,4-dioxane; ethanol / 168 h / 20 °C |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 2 steps 1: diisopropylamine / isopropyl alcohol; toluene / 6.4 h / 10 - 90 °C / Industry scale 2: hydrogenchloride / 1,4-dioxane; ethanol / 168 h / 20 °C |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 2 steps 1: diisopropylamine / isopropyl alcohol; toluene / 6.4 h / 10 - 90 °C / Industry scale 2: hydrogenchloride / 1,4-dioxane; ethanol / 168 h / 20 °C |