TRADIPITANT

Details

Stereochemistry	ACHIRAL
Molecular Formula	C28H16ClF6N5O
Molecular Weight	587.903
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

FC(F)(F)C1=CC(=CC(CN2N=NC(=C2C3=CC=NC=C3)C4=NC=CC=C4C(=O)C5=C(Cl)C=CC=C5)=C1)C(F)(F)F

InChI

InChIKey=CAVRKWRKTNINFF-UHFFFAOYSA-N

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

HIDE SMILES / InChI

Molecular Formula	C28H16ClF6N5O
Molecular Weight	587.903
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/31190215 | https://adisinsight.springer.com/drugs/800028927 | DOI: 10.1016/j.jaad.2018.05.1184

Tradipitant is a neurokinin 1 receptor antagonist. The dose of 50 mg of tradipitant given orally for 4 weeks was not superior to placebo in reducing itch intensity in patients with atopic dermatitis. However, in a subsequent study, in which a higher dose (85 mg) was administered for 8 weeks, significant antipruritic effect compared with placebo was recorded. Tradipitant is in phase III clinical trial for the treatment of atopic dermatitis and gastroparesis. Vanda Pharmaceuticals plans a phase III trial in Motion Sickness in 2019.

Originator

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Neurokinin 1 receptor 35 Target ID: CHEMBL249 Sources: https://www.ncbi.nlm.nih.gov/pubmed/31190215	Antagonist 2778

PubMed

Title	Date	PubMed
NK-1 Receptor Antagonists and Pruritus: Review of Current Literature.	2019 Sep	31190215

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:47:31 GMT 2023` Edited by `admin` on `Fri Dec 15 16:47:31 GMT 2023`
Record UNII	NY0COC51FI
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TRADIPITANT

Official Name

English

Tradipitant [WHO-DD]

Common Name

English

(2-(1-(3,5-BIS(TRIFLUOROMETHYL)BENZYL)-5-PYRIDIN-4-YL-1H-1,2,3-TRIAZOL-4-YL)PYRIDIN-3-YL)(2-CHLOROPHENYL)METHANONE

Systematic Name

English

LY686017

Code

English

TRADIPITANT [USAN]

Common Name

English

METHANONE, (2-(1-((3,5-BIS(TRIFLUOROMETHYL)PHENYL)METHYL)-5-(4-PYRIDINYL)-1H-1,2,3-TRIAZOL-4-YL)-3-PYRIDINYL)(2-CHLOROPHENYL)-

Systematic Name

English

LY-686017

Code

English

VLY-686

Code

English

tradipitant [INN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C78284