4IPPDPP
IC50 hCES1 49.9 +/- 21.9 nM 2IPPDPP (isomer with isopropyl in positio 2) is not inhibitor
General
Type : Organophosphorus flame retardant plasticizer, Organophosphate
Chemical_Nomenclature : diphenyl (4-propan-2-ylphenyl) phosphate
Canonical SMILES : CC(C)C1=CC=C(C=C1)OP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3
InChI : InChI=1S\/C21H21O4P\/c1-17(2)18-13-15-21(16-14-18)25-26(22,23-19-9-5-3-6-10-19)24-20-11-7-4-8-12-20\/h3-17H,1-2H3
InChIKey : JUHFQCKQQLMGAB-UHFFFAOYSA-N
Other name(s) : Diphenyl p-isopropylphenyl phosphate, 4-isopropylphenyl diphenyl phosphate, diphenyl (4-propan-2-ylphenyl) phosphate, (4-isopropylphenyl) diphenyl phosphate, SCHEMBL222392
MW : 368.4
Formula : C21H21O4P
CAS_number : 55864-04-5
PubChem : 91908
UniChem : JUHFQCKQQLMGAB-UHFFFAOYSA-N
Target
Families : 4IPPDPP ligand of proteins in family
Carb_B_Chordata
References (2)
| Title : In Vitro Metabolism of Isopropylated and tert-Butylated Triarylphosphate Esters Using Human Liver Subcellular Fractions - Phillips_2020_Chem.Res.Toxicol_33_1428 |
| Author(s) : Phillips AL , Herkert NJ , Ulrich JC , Hartman JH , Ruis MT , Cooper EM , Ferguson PL , Stapleton HM |
| Ref : Chemical Research in Toxicology , 33 :1428 , 2020 |
| PubMedID: 32129605 |
| Title : Inhibition of Human Liver Carboxylesterase (hCE1) by Organophosphate Ester Flame Retardants and Plasticizers: Implications for Pharmacotherapy - Phillips_2019_Toxicol.Sci_171_396 |
| Author(s) : Phillips AL , Stapleton HM |
| Ref : Toxicol Sci , 171 :396 , 2019 |
| PubMedID: 31268531 |