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622370-35-8

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622370-35-8 Structure

622370-35-8 Structure
IdentificationBack 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 PropertiesBack 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
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Hazard InformationBack 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].

Spectrum DetailBack Directory
[Spectrum Detail]

Tradipitant(622370-35-8)1HNMR
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