4tBPDPP
IC50 hCES1 22.3 +/- 6.9 nM
General
Type : Organophosphorus flame retardant plasticizer, Organophosphate
Chemical_Nomenclature : (4-tert-butylphenyl) diphenyl phosphate
Canonical SMILES : CC(C)(C)C1=CC=C(C=C1)OP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3
InChI : InChI=1S\/C22H23O4P\/c1-22(2,3)18-14-16-21(17-15-18)26-27(23,24-19-10-6-4-7-11-19)25-20-12-8-5-9-13-20\/h4-17H,1-3H3
InChIKey : ULGAVXUJJBOWOD-UHFFFAOYSA-N
Other name(s) : p-tert-Butylphenyl diphenyl phosphate || 4-tert-butylphenyl diphenyl phosphate || (4-tert-butylphenyl) diphenyl phosphate || p-t-butylphenyl diphenyl phosphate || SCHEMBL317541 || CHEMBL3183261 || MonoTbuPP
MW : 382.4
Formula : C22H23O4P
CAS_number : 981-40-8
PubChem : 70425
UniChem : ULGAVXUJJBOWOD-UHFFFAOYSA-N
Target
Families : 4tBPDPP ligand of proteins in family
Carb_B_Chordata
Protein :
human-CES1
References (3)
| Title : Organophosphate toxicity patterns: A new approach for assessing organophosphate neurotoxicity - Karaboga_2024_J.Hazard.Mater_470_134236 |
| Author(s) : Karaboga S , Severac F , Collins ES , Stab A , Davis A , Souchet M , Herve G |
| Ref : J Hazard Mater , 470 :134236 , 2024 |
| Abstract : |
| PubMedSearch : Karaboga_2024_J.Hazard.Mater_470_134236 |
| PubMedID: 38613959 |
| 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 |
| Abstract : |
| PubMedSearch : Phillips_2020_Chem.Res.Toxicol_33_1428 |
| 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 |
| Abstract : |
| PubMedSearch : Phillips_2019_Toxicol.Sci_171_396 |
| PubMedID: 31268531 |