U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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
Structure of BN-82451

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

HIDE SMILES / InChI
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.

Approval Year

PubMed

PubMed

TitleDatePubMed
Patents

Patents

Name Type Language
BN-82451
Common Name English
4-(2-(AMINOMETHYL)-1,3-THIAZOL-4-YL)-2,6-DI(TERT-BUTYL)PHENOL
Systematic Name English
PHENOL, 4-(2-(AMINOMETHYL)-4-THIAZOLYL)-2,6-BIS(1,1-DIMETHYLETHYL)-
Systematic Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 468314
Created by admin on Sat Dec 16 08:35:30 UTC 2023 , Edited by admin on Sat Dec 16 08:35:30 UTC 2023
Code System Code Type Description
PUBCHEM
9905090
Created by admin on Sat Dec 16 08:35:30 UTC 2023 , Edited by admin on Sat Dec 16 08:35:30 UTC 2023
PRIMARY
CAS
335242-75-6
Created by admin on Sat Dec 16 08:35:30 UTC 2023 , Edited by admin on Sat Dec 16 08:35:30 UTC 2023
PRIMARY
FDA UNII
531B661QBY
Created by admin on Sat Dec 16 08:35:30 UTC 2023 , Edited by admin on Sat Dec 16 08:35:30 UTC 2023
PRIMARY