Compound: 263717-53-9
SMILES: O=C1C=CC(=C2NN(c3ccc(O)cc3)C(=C2CCC)c4ccc(O)cc4)C=C1
InChIKey: UOSWGERPQQOSHS-UHFFFAOYSA-N
Synonyms: 263717-53-9, propyl pyrazole triol, PROPYLPYRAZOLETRIOL, DTXSID9040392, RefChem:1097032, DTXCID7020392, PPT, 4,4',4''-(4-propyl-1H-pyrazole-1,3,5-triyl)triphenol, 1,3,5-Tris(4-hydroxyphenyl)-4-propyl-1H-pyrazole, Phenol, 4,4',4''-(4-propyl-1H-pyrazole-1,3,5-triyl)tris-, 0T83Y6JZPF, 4,4',4''-(4-propyl-(1H)-pyrazole-1,3,5-triyl)trisphenol, 1,3,5-tris(4-hydroxyphenyl)-4-propylpyrazole, MFCD03453628, 4,4',4''-(4-propylpyrazole-1,3,5-triyl)trisphenol, 4,4',4''-(4-Propyl-[1H]-pyrazole-1,3,5-triyl)trisphenol, 4-(1,5-bis(4-hydroxyphenyl)-4-propyl-1,2-dihydro-3H-pyrazol-3-ylidene)cyclohexa-2,5-dien-1-one, PPT trisphenol compound, SR-01000075913, NCGC00015511-01, Tocris-1426, 4-[2,5-BIS(4-HYDROXYPHENYL)-4-PROPYLPYRAZOL-3-YL]PHENOL, Lopac-H-6036, UNII-0T83Y6JZPF, 4-Propyl-1,3,5-tri((4-hydroxy)phenyl)pyrazole, Lopac0_000575, MLS001056593, SCHEMBL426190, CHEMBL441282, GTPL2819, orb1307858, CHEBI:64110, CHEBI:92007, HMS2233O06, HMS3261D12, HMS3267J14, HMS3412O22, HMS3650I12, HMS3676O22, Tox21_500575, BDBM50398935, HB2499, AKOS024456590, CCG-204664, LP00575, SDCCGSBI-0050557.P002, NCGC00015511-02, NCGC00015511-03, NCGC00015511-04, NCGC00015511-05, NCGC00015511-06, NCGC00015511-12, NCGC00025159-01, NCGC00025159-02, NCGC00025159-03, NCGC00025159-04, NCGC00261260-01, BP162642, BS-50587, SMR000326968, DB-014970, HY-100689, CS-0019976, EU-0100575, NS00134116, E73988, H 6036, SR-01000075913-1, SR-01000075913-3, SR-01000075913-6, SR-01000075913-9, 1,3,5-Tri-(4'-hydroxyphenyl)-4-propyl-1H-pyrazole, BRD-K00312224-001-03-8, BRD-K00312224-001-09-5, Q27088459, Q27163803, 4-[2,5-bis(4-hydroxyphenyl)-4-propyl-pyrazol-3-yl]phenol, 4,4',4"-(4-Propyl-[1H]-pyrazole-1,3,5-triyl)trisphenol, 1,3,5-Tris(4-hydroxyphenyl)-4-propyl-1H-pyrazole, powder, >=98% (HPLC), 4-[2,3-bis(4-hydroxyphenyl)-4-propyl-1H-pyrazol-5-ylidene]-1-cyclohexa-2,5-dienone, 4-[2,3-bis(4-hydroxyphenyl)-4-propyl-1H-pyrazol-5-ylidene]cyclohexa-2,5-dien-1-one;
Theoretical properties:
molecular_formula: C24H22N2O3
molecular_weight: 386.4 g/mol
exact_mass: 386.16304257 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 3
hydrogen_bond_acceptor_count: 4
rotatable_bond_count: 5
heavy_atom_count: 29
topological_polar_surface_area: 78.5 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: 4,4',4''-(4-propylpyrazole-1,3,5-triyl)trisphenol is a pyrazole that is 1H-pyrazole bearing three 4-hydroxyphenyl substituents at positions 1, 3 and 5 as well as a propyl substituent at position 4. Potent, subtype-selective estrogen receptor agonist (EC50 ~ 200 pM); displays 410-fold selectivity for ERalpha over ERbeta. Prevents ovariectomy-induced weight gain and loss of bone mineral density, and induces gene expression in the hypothalamus following systemic administration in vivo. It has a role as an estrogen receptor agonist. It is a member of pyrazoles and a member of phenols.
wikipedia: Propylpyrazoletriol (PPT) is a synthetic, nonsteroidal agonist of ERα with 400-fold selectivity over ERβ that is used widely in scientific research to study the function of ERα. Though originally thought to be highly selective for ERα, PPT has subsequently been found to also act as an agonist of the GPER (GPR30).