sEH-HDAC6-Cpd28g
0.9,46.8,73.2,71.1,99.78,1.151,0.492,1.276,0.008,0.062,0.464
General
Type : Urea derivative, Multitarget, HDAC inhibitor, Piperidine, Carboxamide
Chemical_Nomenclature : (3S)-1-[4-[(4-chloro-3-fluorophenyl)carbamoylamino]-3-fluorobenzoyl]-N-[7-(hydroxyamino)-7-oxoheptyl]piperidine-3-carboxamide
Canonical SMILES : C1C[C@@H](CN(C1)C(=O)C2=CC(=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)F)F)C(=O)NCCCCCCC(=O)NO || O=C(N1CCC[C@H](C(NCCCCCCC(NO)=O)=O)C1)C2=CC=C(NC(NC3=CC=C(Cl)C(F)=C3)=O)C(F)=C2
InChI : InChI=1S\/C27H32ClF2N5O5\/c28-20-10-9-19(15-21(20)29)32-27(39)33-23-11-8-17(14-22(23)30)26(38)35-13-5-6-18(16-35)25(37)31-12-4-2-1-3-7-24(36)34-40\/h8-11,14-15,18,40H,1-7,12-13,16H2,(H,31,37)(H,34,36)(H2,32,33,39)\/t18-\/m0\/s1
InChIKey : HBFPWUNFDONPPC-SFHVURJKSA-N
Other name(s) : Compound 28g
MW : 580
Formula : C27H32ClF2N5O5
CAS_number :
PubChem : 170552825
UniChem : HBFPWUNFDONPPC-SFHVURJKSA-N
Target
Families : sEH-HDAC6-Cpd28g ligand of proteins in family
Epoxide_hydrolase
Protein :
human-EPHX2
References (1)
| Title : Design and Synthesis of sEH\/HDAC6 Dual-Targeting Inhibitors for the Treatment of Inflammatory Pain - Xu_2024_J.Med.Chem__ |
| Author(s) : Xu H , Chen Y , Tong H , Chen L , Morisseau C , Zhou Z , Zhuang J , Song C , Cai P , Liu Z , Hammock BD , Chen G |
| Ref : Journal of Medicinal Chemistry , : , 2024 |
| Abstract : |
| PubMedSearch : Xu_2024_J.Med.Chem__ |
| PubMedID: 39033411 |