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

Details

Stereochemistry ACHIRAL
Molecular Formula C16H17F2N
Molecular Weight 261.3097
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DELUCEMINE

SMILES

CNCCC(C1=CC(F)=CC=C1)C2=CC(F)=CC=C2

InChI

InChIKey=MUGNLPWYHGOJEG-UHFFFAOYSA-N
InChI=1S/C16H17F2N/c1-19-9-8-16(12-4-2-6-14(17)10-12)13-5-3-7-15(18)11-13/h2-7,10-11,16,19H,8-9H2,1H3

HIDE SMILES / InChI

Molecular Formula C16H17F2N
Molecular Weight 261.3097
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Early explorations of spider and scorpion venoms provided clues for the discovery of new classes of compounds, including delucemine, that act as neuroprotectants in animal models of stroke. This compound targets open NMDA receptor-operated calcium channels and blocks the channel. By blocking these channels, which open in response to the neurotransmitter glutamate, delucemine prevents excessive calcium influx during ischemia. This stabilizes cell chemistry and minimizes cell death. Delucemine attenuated short-term cognitive deficits and histopathological changes associated with traumatic brain injury. Delucemine improved measures of brain tissue edema and ion homeostasis.

Approval Year

Sample Use Guides

1 mg/kg at both 10 min and 4 h posttrauma
Route of Administration: Intravenous
Substance Class Chemical
Created
by admin
on Sat Dec 16 16:05:04 GMT 2023
Edited
by admin
on Sat Dec 16 16:05:04 GMT 2023
Record UNII
124LSR3H2X
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DELUCEMINE
INN  
INN  
Official Name English
BENZENEPROPANAMINE, 3-FLUORO-.GAMMA.-(3-FLUOROPHENYL)-N-METHYL-
Systematic Name English
delucemine [INN]
Common Name English
3,3-BIS(3-FLUOROPHENYL)-N-METHYLPROPAN-1-AMINE
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C1509
Created by admin on Sat Dec 16 16:05:04 GMT 2023 , Edited by admin on Sat Dec 16 16:05:04 GMT 2023
Code System Code Type Description
NCI_THESAURUS
C76776
Created by admin on Sat Dec 16 16:05:04 GMT 2023 , Edited by admin on Sat Dec 16 16:05:04 GMT 2023
PRIMARY
WIKIPEDIA
DELUCEMINE
Created by admin on Sat Dec 16 16:05:04 GMT 2023 , Edited by admin on Sat Dec 16 16:05:04 GMT 2023
PRIMARY
PUBCHEM
156421
Created by admin on Sat Dec 16 16:05:04 GMT 2023 , Edited by admin on Sat Dec 16 16:05:04 GMT 2023
PRIMARY
SMS_ID
300000037043
Created by admin on Sat Dec 16 16:05:04 GMT 2023 , Edited by admin on Sat Dec 16 16:05:04 GMT 2023
PRIMARY
ChEMBL
CHEMBL2110814
Created by admin on Sat Dec 16 16:05:04 GMT 2023 , Edited by admin on Sat Dec 16 16:05:04 GMT 2023
PRIMARY
EPA CompTox
DTXSID20171908
Created by admin on Sat Dec 16 16:05:04 GMT 2023 , Edited by admin on Sat Dec 16 16:05:04 GMT 2023
PRIMARY
CAS
186495-49-8
Created by admin on Sat Dec 16 16:05:04 GMT 2023 , Edited by admin on Sat Dec 16 16:05:04 GMT 2023
PRIMARY
INN
8173
Created by admin on Sat Dec 16 16:05:04 GMT 2023 , Edited by admin on Sat Dec 16 16:05:04 GMT 2023
PRIMARY
FDA UNII
124LSR3H2X
Created by admin on Sat Dec 16 16:05:04 GMT 2023 , Edited by admin on Sat Dec 16 16:05:04 GMT 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
SALT/SOLVATE -> PARENT
Related Record Type Details
ACTIVE MOIETY