LK-44
hCES2A-IN-2 (Compound 44) is an orally active human carboxylesterase 2 (hCES2A) inhibitor (IC50: 5.02 M). hCES2A-IN-2 improves Irinotecan (HY-16562)-induced delayed diarrhea
General
Type : Benzofuran
Chemical_Nomenclature : 2-[2-chloro-4-[(Z)-(3-oxo-6-propoxy-1-benzofuran-2-ylidene)methyl]phenoxy]-2-methylpropanoic acid
Canonical SMILES : CCCOC1=CC2=C(C=C1)C(=O)C(=CC3=CC(=C(C=C3)OC(C)(C)C(=O)O)Cl)O2
InChI : InChI=1S\/C22H21ClO6\/c1-4-9-27-14-6-7-15-18(12-14)28-19(20(15)24)11-13-5-8-17(16(23)10-13)29-22(2,3)21(25)26\/h5-8,10-12H,4,9H2,1-3H3,(H,25,26)\/b19-11-
InChIKey : SSMSROJDFCTALP-ODLFYWEKSA-N
Other name(s) : HY-155228, CS-0892092
MW : 416.8
Formula : C22H21ClO6
CAS_number :
PubChem : 168510358
UniChem : SSMSROJDFCTALP-ODLFYWEKSA-N
Target
Families : LK-44 ligand of proteins in family
Carb_B_Chordata
Carboxylesterase
Protein :
human-CES2
References (1)
| Title : Design, synthesis, and biological evaluation studies of novel carboxylesterase 2 inhibitors for the treatment of irinotecan-induced delayed diarrhea - Yang_2023_Bioorg.Chem_138_106625 |
| Author(s) : Yang Z , Cao Z , Wang W , Chen Y , Huang W , Jiao S , Chen S , Chen L , Liu Y , Mao J , Zhang L , Li Z |
| Ref : Bioorg Chem , 138 :106625 , 2023 |
| PubMedID: 37300962 |
| Gene_locus related to this paper: human-CES2 |