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
SMILES
COC1=CC=C(NC(=S)N2CCC3=C(C2)SC4=C3C(=NCC5=NN=C(C)N45)C6=C(Cl)C=CC=C6)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)
| 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 |
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 |
|---|---|---|
| Anti-inflammatory activities of LDP-392, a dual PAF receptor antagonist and 5-lipoxygenase inhibitor. | 2001-09 |
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| Platelet-activating factor induces cyclooxygenase-2 gene expression in corneal epithelium. Requirement of calcium in the signal transduction pathway. | 1997-11 |
|
| Pharmacological modulation of the antigen-induced expression of the low-affinity IgE receptor (Fc epsilon RII/CD23) on rat alveolar macrophages. | 1991 |
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 18:26:12 GMT 2025
by
admin
on
Mon Mar 31 18:26:12 GMT 2025
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| Record UNII |
4KGX1STY2N
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| Record Status |
Validated (UNII)
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| Record Version |
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Preferred Name | English |
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NCI_THESAURUS |
C1327
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SUB10350MIG
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7231
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3033963
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100000080248
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4KGX1STY2N
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CHEMBL2105298
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C73133
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132418-36-1
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