ROCEPAFANT

Details

Stereochemistry	ACHIRAL
Molecular Formula	C26H23ClN6OS2
Molecular Weight	535.083
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=WBGAFGNZNGJVNW-UHFFFAOYSA-N

InChI=1S/C26H23ClN6OS2/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(35)29-16-7-9-17(34-2)10-8-16/h3-10H,11-14H2,1-2H3,(H,29,35)

HIDE SMILES / InChI

Molecular Formula	C26H23ClN6OS2
Molecular Weight	535.083
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/9500121 | https://www.ncbi.nlm.nih.gov/pubmed/7858896 | https://www.ncbi.nlm.nih.gov/pubmed/15854773 | https://medkoo.com/products/10788 | https://adisinsight.springer.com/drugs/800001346

Rocepafant (also known as BN 50730 or LAU 8080) is a hetrazepinic derivative and a platelet-activating factor (PAF) receptor antagonist. PAF is a mediator of cerebral ischemic injury and administration of rocepafant in neonatal rats was found to have a neuroprotective role, attenuating hypoxic-ischemic brain injury in neonatal rats. Combined with two other types of compounds, rocepafant was shown to modulate the stress-induced up-regulation of cycloooxygenase-2 and prostaglandin E2 in humans, which may be of potential therapeutic value in the design of treatment for complex neuroinflammatory disorders. This compound has been evaluated for treatment of asthma, arrhytmias and rheumatic disorders, but development of rocepafant has been discontinued in 2003.

Originator

Approval Year

PubMed

Title	Date	PubMed
Pharmacological modulation of the antigen-induced expression of the low-affinity IgE receptor (Fc epsilon RII/CD23) on rat alveolar macrophages.	1991	1834581
Platelet-activating factor induces cyclooxygenase-2 gene expression in corneal epithelium. Requirement of calcium in the signal transduction pathway.	1997 Nov	9375567
Anti-inflammatory activities of LDP-392, a dual PAF receptor antagonist and 5-lipoxygenase inhibitor.	2001 Sep	11529688

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:22:02 GMT 2023` Edited by `admin` on `Fri Dec 15 16:22:02 GMT 2023`
Record UNII	4KGX1STY2N
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ROCEPAFANT

Official Name

English

rocepafant [INN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C1327