| Identification | Back Directory | [Name]
Tradipitant | [CAS]
622370-35-8 | [Synonyms]
VLY 686
LY686017
Biafungin
Tradipitant
VLY-686;LY686017
Tradipitant(VLY-686)
Tradipitant, 10 mM in DMSO
tradipitant,VLY-686, LY686017
(2-(1-(3,5-Bis(trifluoromethyl)benzyl)-5-(pyridin-4-yl)-1H-1,2,3-triazol-4-yl)pyridin-3-yl)(2-
VLY 686,LY-686017,Neurokinin Receptor,VLY686,LY 686017,Inhibitor,Tradipitant,NK receptor,Tachykinin receptor,inhibit
(2-(1-(3,5-Bis(trifluoromethyl)benzyl)-5-(pyridin-4-yl)-1H-1,2,3-triazol-4-yl)pyridin-3-yl)(2-chlorophenyl)methanone
[2-[1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(4-pyridinyl)-1H-1,2,3-triazol-4-yl]-3-pyridinyl](2-chlorophenyl)methanone
Methanone, [2-[1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(4-pyridinyl)-1H-1,2,3-triazol-4-yl]-3-pyridinyl](2-chlorophenyl)- | [Molecular Formula]
C28H16ClF6N5O | [MDL Number]
MFCD28127604 | [MOL File]
622370-35-8.mol | [Molecular Weight]
587.9 |
| Chemical Properties | Back Directory | [Melting point ]
143 - 145°C | [Boiling point ]
640.9±65.0 °C(Predicted) | [density ]
1.45±0.1 g/cm3(Predicted) | [storage temp. ]
Hygroscopic, -20°C Freezer, Under inert atmosphere | [solubility ]
Chloroform (Slightly), Ethyl Acetate (Slightly) | [form ]
Solid | [pka]
2.92±0.10(Predicted) | [color ]
Pale Beige to Brown | [InChIKey]
CAVRKWRKTNINFF-UHFFFAOYSA-N | [SMILES]
C(C1=CC=CN=C1C1=C(C2C=CN=CC=2)N(CC2=CC(C(F)(F)F)=CC(C(F)(F)F)=C2)N=N1)(C1=CC=CC=C1Cl)=O |
| Hazard Information | Back Directory | [Uses]
Tradipitant, is a neurokinin-1 (NK-1) antagonist. | [in vivo]
Autoradiography experiments reveal that intravenously administered Tradipitant ([3H]-LY686017) localizes in the guinea pig brain and has a distribution similar to that described for the NK-1 receptor using agonist or antagonist radioligands[1]. |
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