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Tradipitant

CAT: 0957-E4624-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0957-E4624-02Size:25 mg
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Description
Tradipitant (VLY-686, LY686017) is the 2nd generation antagonist of neurokinin-1 (NK-1) . It exhibits potential for treating chemotherapy-induced nausea, depression, alcoholism, social anxiety disorder, and for developing imaging ligands.
CAS Number
622370-35-8
Synonyms
VLY-686, LY686017
Target
Neurokinin Receptor
Activity
Neuronal Signaling
Molecular Formula
C28H16ClF6N5O

Chemical Information

Tradipitant

Tradipitant is a selective, high-affinity antagonist at human substance P/neurokinin-1 (NK-1) receptors. NK-1 receptors are expressed in the brainstem and nucleus tractus solitarius, which receives emetogenic signals from various stimuli including dizziness and vertigo. Approved by the FDA on December 30, 2025, tradipitant is indicated for the prevention of vomiting induced by motion. Tradipitant has also been investigated in gastroparesis,COVID-19-induced pneumonia, and atopic dermatitis.

CAS Number622370-35-8
PubChem CID9916461
IUPAC Name[2-[1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-pyridin-4-yltriazol-4-yl]-3-pyridinyl]-(2-chlorophenyl)methanone
Molecular FormulaC28H16ClF6N5O
Molecular Weight587.9
XLogP6.2
Topological Polar Surface Area73.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count11
Rotatable Bond Count6
Heavy Atom Count41
Formal Charge0
Complexity865
SMILES
C1=CC=C(C(=C1)C(=O)C2=C(N=CC=C2)C3=C(N(N=N3)CC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)C5=CC=NC=C5)Cl
InChI
InChI=1S/C28H16ClF6N5O/c29-22-6-2-1-4-20(22)26(41)21-5-3-9-37-23(21)24-25(17-7-10-36-11-8-17)40(39-38-24)15-16-12-18(27(30,31)32)14-19(13-16)28(33,34)35/h1-14H,15H2
InChIKey
CAVRKWRKTNINFF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tradipitant
CAS: 622370-35-8
CID: 9916461
Formula: C28H16ClF6N5O
MW: 587.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight587.9
XLogP36.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count11
Rotatable Bond Count6
Exact Mass587.0947568
Monoisotopic Mass587.0947568
Topological Polar Surface Area73.6 Ų
Heavy Atom Count41
Formal Charge0
Complexity865
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
M26851-01Tradipitant
A16918-100Tradipitant 100mg
A16918-50Tradipitant 50mg
A16918-2Tradipitant 2mg
A16918-5Tradipitant 5mg
A16918-25Tradipitant 25mg
A16918-10Tradipitant 10mg
A16918-1Tradipitant 1mg
A16918-10mM-DTradipitant 10mM * 1mL in DMSO

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