sEH-HDAC6-IN-M9
sEH and histone deacetylase 6 (HDAC6) sEH/HDAC6 dual inhibitor with in vivo antineuropathic pain and anti-inflammation
General
Type : Multitarget, Adamantyl, Urea derivative
Chemical_Nomenclature : 4-[(3,5-dimethyl-1-adamantyl)carbamoylamino]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide
Canonical SMILES : O=C(NC1=CC=C(C(NCCCCCCC(NO)=O)=O)C=C1)N[C@]2(C3)C[C@]4(C)C[C@](C[C@H]3C4)(C)C2
InChI : InChI=1S\/C27H40N4O4\/c1-25-13-19-14-26(2,16-25)18-27(15-19,17-25)30-24(34)29-21-10-8-20(9-11-21)23(33)28-12-6-4-3-5-7-22(32)31-35\/h8-11,19,35H,3-7,12-18H2,1-2H3,(H,28,33)(H,31,32)(H2,29,30,34)\/t19-,25+,26-,27-
InChIKey : LICDGBVIDDVNJZ-IIEILYMYSA-N
Other name(s) : Compound M9, sEH\/HDAC6-IN-1, HY-163207, CS-0979310
MW : 484.63
Formula : C27H40N4O4
CAS_number :
PubChem : 166062777
UniChem : LICDGBVIDDVNJZ-IIEILYMYSA-N
Target
Families : sEH-HDAC6-IN-M9 ligand of proteins in family
Epoxide_hydrolase
Protein :
human-EPHX2
References (1)
| Title : Design and Synthesis of Dual-Targeting Inhibitors of sEH and HDAC6 for the Treatment of Neuropathic Pain and Lipopolysaccharide-Induced Mortality - Chen_2024_J.Med.Chem__ |
| Author(s) : Chen Y , Sun J , Tong H , Wang J , Cao R , Xu H , Chen L , Morisseau C , Zhang M , Shi Y , Han C , Zhuang J , Jing Y , Liu Z , Hammock BD , Chen G |
| Ref : Journal of Medicinal Chemistry , : , 2024 |
| PubMedID: 38236416 |