-
Antiviral API
- Arenavirus
- Cytomegalovirus (CMV)
- Dengue virus
- Endogenous Metabolite
- Enterovirus (EV)
- Epstein-Barr virus (EBV)
- Filovirus
- Flavivirus
- HCV Protease
- Hepatitis B Virus (HBV)
- Hepatitis C Virus (HCV)
- Herpes simplex Virus (HSV)
- HIF/HIF Prolyl-Hydroxylase
- HIV Integrase
- HIV Protease
- Human immunodeficiency Virus (HIV)
- Human papillomavirus (HPV)
- Influenza Virus
- Nipah virus
- Orthopoxvirus
- Others
- Rabies virus (RABV)
- Respiratory syncytial Virus (RSV)
- Reverse Transcriptases (RTs)
- SARS-CoV
- Tobacco mosaic virus (TMV)
- Vesicular stomatitis virus (VSV)
- Virus Protease
- West Nile virus
- Antiviral intermediates
Aprepitant
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| Category | Human immunodeficiency Virus (HIV) |
| CAS | 170729-80-3 |
| Description | Aprepitant is a specific NK-1R antagonist, used as an antiemetic agent. |
Product Information
| Synonyms | 5-[[(2R,3S)-2-[(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-4-morpholinyl]methyl]-1,2-dihydro-3H-1,2,4-triazol-3-one; Emend; L 754030; MK 0869; MK 869; ONO 7436 |
| IUPAC Name | 3-[[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one |
| Molecular Weight | 534.43 |
| Molecular Formula | C23H21F7N4O3 |
| Canonical SMILES | CC(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)OC2C(N(CCO2)CC3=NNC(=O)N3)C4=CC=C(C=C4)F |
| InChI | InChI=1S/C23H21F7N4O3/c1-12(14-8-15(22(25,26)27)10-16(9-14)23(28,29)30)37-20-19(13-2-4-17(24)5-3-13)34(6-7-36-20)11-18-31-21(35)33-32-18/h2-5,8-10,12,19-20H,6-7,11H2,1H3,(H2,31,32,33,35)/t12-,19+,20-/m1/s1 |
| InChIKey | ATALOFNDEOCMKK-OITMNORJSA-N |
| Melting Point | 242-250°C |
| Purity | 98% |
| Density | 1.51±0.1 g/cm3(Predicted) |
| Solubility | soluble in DMSO, Methanol |
| Appearance | White to Pale Beige Solid |
| Storage | Store at -20°C |
| Complexity | 810 |
| Exact Mass | 534.150208 |
| Index Of Refraction | 1.564 |
| PSA | 83.24 |
| Target | Neurokinin Receptor; Bacterial; HIV; Antibiotic |
| XLogP3-AA | 4.2 |
