SETIPAFANT

Details

Stereochemistry	ACHIRAL
Molecular Formula	C26H23ClN6O2S
Molecular Weight	519.018
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=CC=C(NC(=O)N2CCC3=C(C2)SC4=C3C(=NCC5=NN=C(C)N45)C6=CC=CC=C6Cl)C=C1

InChI

InChIKey=DDJKTQDAEYPACV-UHFFFAOYSA-N

InChI=1S/C26H23ClN6O2S/c1-15-30-31-22-13-28-24(18-5-3-4-6-20(18)27)23-19-11-12-32(14-21(19)36-25(23)33(15)22)26(34)29-16-7-9-17(35-2)10-8-16/h3-10H,11-14H2,1-2H3,(H,29,34)

HIDE SMILES / InChI

Molecular Formula	C26H23ClN6O2S
Molecular Weight	519.018
Charge	0
Count

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

Description
Sources: https://adisinsight.springer.com/drugs/800005290 | https://www.ncbi.nlm.nih.gov/pubmed/7743464

Setipafant [BN 50727], triazolothienodiazepine, is a synthetic platelet activating factor antagonist that was under development with Beaufour-Ipsen for the treatment of diarrhoea, inflammatory bowel diseases, peptic ulcer and ulcerative colitis. The research has been discontinued.

Originator

Approval Year

PubMed

Title	Date	PubMed
Effect of BN 50727 on pathological findings and tissue platelet activating factor levels during ileal ischemia in newborn piglets.	1996 Dec	8986985
Escherichia coli hemolysin and Staphylococcus aureas alpha-toxin potently induce neutrophil adhesion to cultured human endothelial cells.	1996 Nov 1	8892649

Patents

Sample Use Guides

In Vivo Use Guide

Piglets: animals were separated into six groups: U4, controls; S, sham operated animals undergoing laparotomy; I4 and I9, ligation of the mesenteric vessels in the last ileal loop; IT4 and IT9, same procedure together with treatment with Setipafant (50 mg/kg) orally before and after surgery and intraperitoneally during surgery.

Route of Administration: Other

In Vitro Use Guide

Rabbit corneas were incubated with or without 500 nM PAF. PAF antagonist Setipafant [BN 50727] (10 uM) was added 10 min before PAF and the epithelium scraped and homogenated.

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:19:29 UTC 2023` Edited by `admin` on `Fri Dec 15 16:19:29 UTC 2023`
Record UNII	UFN2Q54HS6
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SETIPAFANT

Official Name

English

setipafant [INN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C1327