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(1R,2S,3R)-Aprepitant

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(1R,2S,3R)-Aprepitant Basic information

Product Name:
(1R,2S,3R)-Aprepitant
Synonyms:
  • (R,S,R)-Aprepitant
  • Aprepitant (R,S,R)-Isomer
  • Aprepitant impurity 6/(1R,2S,3R)-Aprepitant
  • 1R, 2S, 3R)-Aripitan
  • 5-([(2S,3R)-2-((R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy)-3-(4-fluoro phenyl)morpholino]methyl)-1H-1,2,4-triazol-3(2H)-one
  • 3H-1,2,4-Triazol-3-one, 5-[[(2S,3R)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-4-morpholinyl]methyl]-1,2-dihydro-
  • 5-(((2S,3R)-2-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)morpholino)methyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
  • (2S,3R,1’R)-Aprepitant
CAS:
1185502-97-9
MF:
C23H21F7N4O3
MW:
534.43
Mol File:
1185502-97-9.mol
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(1R,2S,3R)-Aprepitant Chemical Properties

Density 
1.51±0.1 g/cm3(Predicted)
pka
8.06±0.20(Predicted)
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(1R,2S,3R)-Aprepitant Usage And Synthesis

Uses

(2S,3R,1’R)-Aprepitant is an impurity of Aprepitant (A729800); a novel selective neurokinin-1 (NK-1) receptor antagonist. In vitro studies using human liver microsomes indicate that Aprepitant is metabolised primarily by CYP3A4 with minor metabolism by CYP1A2 and CYP2C19, and no metabolism by CYP2D6, CYP2C9, or CYP2E1. Antiemetic.

Definition

ChEBI: 5-[[(2S,3R)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-4-morpholinyl]methyl]-1,2-dihydro-1,2,4-triazol-3-one is a member of morpholines.

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