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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 of SETIPAFANT

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

Description

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

Beaufour-Ipsen
1

Approval Year

Unknown
139,594

PubMed

Patents

CA2628178A1
6

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.
ACTIVE MOIETY
Structure of SETIPAFANT
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