Aprepitant

cas: 170729-80-3 — see every product listed under this CAS number, including other names

Aprepitant (CAS 170729-80-3) is a chemical reagent available from Chemat. Available pack sizes: on request, 250mg, 100mg, 25mg, 5mg, 10mM (in 1ml dmso), 5g, 2g. Offered by: Chemat Brand, Mikromol, GLPBio, Biosynth.

brandChemat Brand
catalog numberULA321
cas170729-80-3
sizeon request
availability Do potwierdzenia przez Chemat|To be confirmed by Chemat
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Available pack sizes

brand size price
Chemat Brand on request price on request
Mikromol 250mg price on request
GLPBio 100mg 2118.20 Pln
GLPBio 25mg 1172.74 Pln
GLPBio 5mg 690.65 Pln
GLPBio 10mM (in 1ml dmso) 718.73 Pln
Biosynth 5g price on request
Biosynth 2g price on request
Thermo Scientific (Acros) 1g 2000.05 Pln
Thermo Scientific (Acros) 250MG 663.71 Pln
Biosynth 10g price on request
Biosynth 25g price on request
Biosynth 1000g price on request

properties

purityNo data
categoryChemicals
delivery timeTo be confirmed by Chemat
Structural formula: {0} (CAS {1})

Aprepitant is a morpholine-based antiemetic, which is or the prevention of acute and delayed nausea and vomiting associated with initial and repeat courses of highly emetogenic cancer chemotherapy. Aprepitant is a selective high-affinity antagonist of human substance P/neurokinin 1 (NK1) receptors. It has a role as an antidepressant, a peripheral nervous system drug, an antiemetic, a neurokinin-1 receptor antagonist and a substance P receptor antagonist. It is a member of triazoles, a member of morpholines, a cyclic acetal and a member of (trifluoromethyl)benzenes.

Source: ChEBI

Identity
Molecular formulaC23H21F7N4O3
Molecular weight534.4 g/mol
IUPAC name3-[[(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
InChIKeyATALOFNDEOCMKK-OITMNORJSA-N
SMILESC[C@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O[C@@H]2[C@@H](N(CCO2)CC3=NNC(=O)N3)C4=CC=C(C=C4)F

Computed by PubChem (NCBI)

Synonyms: Aprepitant, Cinvanti, Aponvie, aprepitantum, Emend, Aprepitant [USAN]
Related forms of this compound
3-[[(2S,3S)-2-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one C23H21F7N4O3
3-[[(2S,3R)-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 C23H21F7N4O3
3-[[(2S,3R)-2-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one C23H21F7N4O3
3-[[(2R,3R)-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 C23H21F7N4O3
3-[[(2R,3R)-2-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one C23H21F7N4O3
3-[[(2S,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 C23H21F7N4O3
3-[[(2R,3S)-2-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one C23H21F7N4O3
3-[[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]-1,2-dideuterioethoxy]-3-(4-fluorophenyl)morpholin-4-yl](113C)methyl]-(313C)1,4-dihydro-1,2,4-triazol-5-one C23H21F7N4O3
Isomers (same molecular formula)
3-[[(2R,3S)-2-[(1R)-1-[4-fluoro-3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-phenylmorpholin-4-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one C23H21F7N4O3
3-[[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(3-fluorophenyl)morpholin-4-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one C23H21F7N4O3

Also listed as

Aprepitant, >95% (HPLC) TRC CAS 170729-80-3
Aprepitant/ 99.9% TargetMol CAS 170729-80-3
Aprepitant - Bio-X â„¢ Biosynth CAS 170729-80-3
Aprepitant, >98.0%(HPLC) TCI CAS 170729-80-3
Aprepitant, 98.00% Chemat CAS 170729-80-3
5-[2(R)-[1(R)-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-3(S)-(4-fluorophenyl)morpholin-4-ylmethyl]-3,4-dihydro-2H-1,2,4-triazol-3-one, 98%, 98% Chemat CAS 170729-80-3
Aprepitant, 99.82% MedChemExpress CAS 170729-80-3
Aprepitant (Standard) MedChemExpress CAS 170729-80-3
Aprepitant, BioScience Grade, 50 mg Roth CAS 170729-80-3
Aprepitant, 98% Ambeed CAS 170729-80-3
5-[2(R)-[1(R)-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-3(S)-(4-fluorophenyl)morpholin-4-ylmethyl]-3,4-dihydro-2H-1,2,4-triazol-3-one, 98% Chemat CAS 170729-80-3
5-(((2R,3S)-2-((R)-1-(3,5-Bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)morpholino)methyl)-1H-1,2,4-triazol-3(2H)-one, 98% BLDpharm CAS 170729-80-3
Aprepitant, European Pharmacopoeia (EP) Sigma-Aldrich CAS 170729-80-3
Aprepitant for system suitability, europ Sigma-Aldrich CAS 170729-80-3