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Inhibitor Report for: 34N

derivative of 33N


General
Type Cyanide, Sulfur Compound
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
IUPHAR|
Wikipedia|

Target
Families | 34N ligand of proteins in family: Epoxide_hydrolase
Stucture | 1 structure: 3I28: Crystal Structure of human soluble epoxide Hydrolase with inhibitor 34N
Protein | human-EPHX2

References:
Search PubMed for references concerning: 34N
    Title: Structure-based optimization of arylamides as inhibitors of soluble epoxide hydrolase
    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 : PubMed