4-methyl-3-nitrobenzamido-pentyl-1a

General

Type :

Chemical_Nomenclature : N-[3-(diethylamino)propyl]-4-methyl-3-nitrobenzamide

Canonical SMILES : CCN(CC)CCCNC(=O)C1=CC(=C(C=C1)C)[N+](=O)[O-]

InChI : InChI=1S\/C15H23N3O3\/c1-4-17(5-2)10-6-9-16-15(19)13-8-7-12(3)14(11-13)18(20)21\/h7-8,11H,4-6,9-10H2,1-3H3,(H,16,19)

InChIKey : ILLRGFMPSJAJDG-UHFFFAOYSA-N

Other name(s) : ZINC2744839  ||  AKOS003276276  ||  MCULE-6666634760


MW : 293.36

Formula : C15H23N3O3

CAS_number :

PubChem : 3268779

UniChem : ILLRGFMPSJAJDG-UHFFFAOYSA-N

Target

Families : 4-methyl-3-nitrobenzamido-pentyl-1a ligand of proteins in family
ACHE

Structure :
7R02

Protein :
mouse-ACHE

References (1)

Title : Broad-spectrum antidote discovery by untangling the reactivation mechanism of nerve agent inhibited acetylcholinesterase - Lindgren_2022_Chemistry_28_e202200678
Author(s) : Lindgren C , Forsgren N , Hoster N , Akfur C , Artursson E , Edvinsson L , Svensson R , Worek F , Ekstrom , Linusson A
Ref : Chemistry , 28 :e202200678 , 2022
Abstract :
PubMedSearch : Lindgren_2022_Chemistry_28_e202200678
PubMedID: 35420233
Gene_locus related to this paper: mouse-ACHE