34N
derivative of 33N
General
Type : Cyanide, Sulfur Compound, Sulfonyl
Chemical_Nomenclature : 4-cyano-N-[(3S)-3-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)propyl]benzamide
Canonical SMILES : CS(=O)(=O)C1=CC=C(C=C1)C(CCNC(=O)C2=CC=C(C=C2)C#N)C3=CC=C(C=C3)F
InChI : InChI=1S\/C24H21FN2O3S\/c1-31(29,30)22-12-8-19(9-13-22)23(18-6-10-21(25)11-7-18)14-15-27-24(28)20-4-2-17(16-26)3-5-20\/h2-13,23H,14-15H2,1H3,(H,27,28)\/t23-\/m0\/s1
InChIKey : OXJGQTIVCHEXQS-QHCPKHFHSA-N || OXJGQTIVCHEXQS-UHFFFAOYSA-N || OXJGQTIVCHEXQS-HSZRJFAPSA-N
Other name(s) : CHEMBL556717 || 4-Cyano-N-{(3s)-3-(4-Fluorophenyl)-3-[4-(Methylsulfonyl)phenyl]propyl}benzamide || 3i28 || BDBM50297400 || (S)-4-Cyano-N-[3-(4-fluorophenyl)-3-(4-methanesulfonyl-phenyl)-propyl]-benzamide || CHEMBL556716 || SCHEMBL5947944 || CHEMBL564227 || BDBM50297403 || (R)-4-Cyano-N-[3-(4-fluorophenyl)-3-(4-methanesulfonyl-phenyl)-propyl]-benzamide
MW : 436.50
Formula : C24H21FN2O3S
CAS_number :
PubChem : 16725330, 44475367, 44475203
UniChem : OXJGQTIVCHEXQS-QHCPKHFHSA-N, OXJGQTIVCHEXQS-UHFFFAOYSA-N, OXJGQTIVCHEXQS-HSZRJFAPSA-N
Target
Families : 34N ligand of proteins in family
Epoxide_hydrolase
Structure :
3I28
Protein :
human-EPHX2
References (1)
| Title : Structure-based optimization of arylamides as inhibitors of soluble epoxide hydrolase - Eldrup_2009_J.Med.Chem_52_5880 |
| Author(s) : Eldrup AB , Soleymanzadeh F , Taylor SJ , Muegge I , Farrow NA , Joseph D , McKellop K , Man CC , Kukulka A , De Lombaert S |
| Ref : Journal of Medicinal Chemistry , 52 :5880 , 2009 |
| Abstract : |
| PubMedSearch : Eldrup_2009_J.Med.Chem_52_5880 |
| PubMedID: 19746975 |
| Gene_locus related to this paper: human-EPHX2 |