Details
Stereochemistry | ACHIRAL |
Molecular Formula | C18H26N2OS |
Molecular Weight | 318.477 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=CSC(CN)=N2
InChI
InChIKey=HAQOEWGSBVQDHB-UHFFFAOYSA-N
InChI=1S/C18H26N2OS/c1-17(2,3)12-7-11(14-10-22-15(9-19)20-14)8-13(16(12)21)18(4,5)6/h7-8,10,21H,9,19H2,1-6H3
Molecular Formula | C18H26N2OS |
Molecular Weight | 318.477 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
BN-82451 belongs to a family of small molecules designated as multitargeting or hybrid molecules. BN-82451 is orally active, has good central nervous system penetration, and elicits potent neuronal protection and antiinflammatory properties. BN-82451 acts via three major pathways involved in neuronal death: excito-toxicity, oxidative stress, and inflammation, and is also a mitochondrial protective agent. Because BN-82451 is a multitargeting agent, each of its specific sites of action has been extensively evaluated, namely, neuronal excitotoxicity (sodium channel blocker), oxida-tive stress (antioxidant), neuroinflammation (cyclooxygenase inhibitor), and mitochondrialdysfunction (mitochondria-protective properties). BN-82451 was found to exert a significant protection in experimental animal models mimicking aspects of cerebral ischemia, Parkinson disease, Huntington disease, and more particularly amyotrophic lateral sclerosis. BN-82451 is in phase II clinical trials by Ipsen Pharma for the treatment of Huntington’s disease. In 2015, orphan drug designation was assigned in the U.S. to the compound for the indication.
CNS Activity
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 08:35:30 GMT 2023
by
admin
on
Sat Dec 16 08:35:30 GMT 2023
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Record UNII |
531B661QBY
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Record Status |
Validated (UNII)
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Record Version |
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Systematic Name | English |
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FDA ORPHAN DRUG |
468314
Created by
admin on Sat Dec 16 08:35:30 GMT 2023 , Edited by admin on Sat Dec 16 08:35:30 GMT 2023
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Code System | Code | Type | Description | ||
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9905090
Created by
admin on Sat Dec 16 08:35:30 GMT 2023 , Edited by admin on Sat Dec 16 08:35:30 GMT 2023
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PRIMARY | |||
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335242-75-6
Created by
admin on Sat Dec 16 08:35:30 GMT 2023 , Edited by admin on Sat Dec 16 08:35:30 GMT 2023
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PRIMARY | |||
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531B661QBY
Created by
admin on Sat Dec 16 08:35:30 GMT 2023 , Edited by admin on Sat Dec 16 08:35:30 GMT 2023
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PRIMARY |
Related Record | Type | Details | ||
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TARGET -> INHIBITOR |
BN82451 was evaluated on binding of [3H]batrachotoxinin A 20-alpha-benzoate to neurotoxin re-ceptor site 2 in rat cortex membrane preparations (veratridine site). In this assay, BN82451 inhibits the binding of [3H]batrachotoxinin A in a concentration-dependent manner.
IC50
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TARGET -> INHIBITOR |
IC50
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TARGET -> INHIBITOR |
IC50
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Related Record | Type | Details | ||
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ACTIVE MOIETY |
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