200000-59-5 Usage
Uses
Used in Pharmaceutical Industry:
(2R,3S)-2-[(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholine 4-methylbenzenesulfonate is used as a pharmaceutical candidate for its potential therapeutic applications. The presence of the morpholine ring, a common structural motif in many drugs, suggests that (2R,3S)-2-[(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholine 4-methylbenzenesulfonate may have bioactive properties. Additionally, the incorporation of fluorine atoms may enhance the compound's lipophilicity and metabolic stability, making it a promising candidate for drug development.
Used in Medicinal Chemistry Research:
(2R,3S)-2-[(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholine 4-methylbenzenesulfonate is used as a research tool in medicinal chemistry to explore the structure-activity relationships of compounds containing morpholine rings and fluorinated side chains. The chiral centers and the sulfonyl group in the molecule provide opportunities for studying the effects of stereochemistry and functional group modifications on biological activity.
Used in Drug Design and Optimization:
(2R,3S)-2-[(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholine 4-methylbenzenesulfonate is used as a starting point for drug design and optimization efforts. (2R,3S)-2-[(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholine 4-methylbenzenesulfonate's unique structural features, including the morpholine ring, fluoro-phenyl and trifluoromethyl-phenyl side chains, and the 4-methylbenzenesulfonate group, can be further modified to develop new drugs with improved potency, selectivity, and pharmacokinetic properties.
Check Digit Verification of cas no
The CAS Registry Mumber 200000-59-5 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 2,0,0,0,0 and 0 respectively; the second part has 2 digits, 5 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 200000-59:
(8*2)+(7*0)+(6*0)+(5*0)+(4*0)+(3*0)+(2*5)+(1*9)=35
35 % 10 = 5
So 200000-59-5 is a valid CAS Registry Number.
InChI:InChI=1S/C20H18F7NO2.C7H8O3S/c1-11(13-8-14(19(22,23)24)10-15(9-13)20(25,26)27)30-18-17(28-6-7-29-18)12-2-4-16(21)5-3-12;1-6-2-4-7(5-3-6)11(8,9)10/h2-5,8-11,17-18,28H,6-7H2,1H3;2-5H,1H3,(H,8,9,10)/t11-,17+,18-;/m1./s1
200000-59-5Relevant academic research and scientific papers
PREPARATION OF APREPITANT
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Page/Page column 33, (2010/11/27)
A process for preparing aprepitant.
PROCESS FOR PREPARATION OF APREPITANT
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Page/Page column 14, (2010/11/26)
The present invention relates to a highly pure (2R,3S)-4-benzyl-3-(4- fluorophenyl)morpholin-2-yl 3,5-bis(trifluoromethyl)benzoate of Formula II, and a process for its preparation. The present invention further provides a process for preparation of Aprepitant of Formula I or pharmaceutically acceptable salt thereof, using the highly pure compound of Formula II. The present invention also provides a process for preparation of Aprepitant of Formula I or pharmaceutically acceptable salt thereof which comprises of cyclising the compound of Formula VII at elevated temperature, in the absence of solvent.
