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Chemical structure of PPT

GC14370

PPT

Also known as 4-[1,3-bis(4-hydroxyphenyl)-4-propylpyrazol-5-yl]phenol

PPT (PPT) is a selective estrogen receptor alpha (ERα) agonist· The relative binding affinity of PPT for ERα (ERα: 49%) around 410 times higher compared with estrogen receptor beta (ERβ: 0·12%)

ChemicalCAS263717-53-9MW386.45FormulaC24H22N2O3
CAS number
263717-53-9
Molecular weight
386.45
Formula
C24H22N2O3
Solubility
≤10mg/ml in ethanol;20mg/ml in DMSO
InChIKey
IOTXSIGGFRQYKW-UHFFFAOYSA-N
Catalogue number
GC14370
Brand
GLPBIO
Computed properties PubChem CID 5040063 · XLogP 5.5 · TPSA 78.5 Ų · H-bond donors 3
XLogP
5.5
TPSA
78.5 Ų
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
29

SMILES CCCC1=C(N(N=C1C2=CC=C(C=C2)O)C3=CC=C(C=C3)O)C4=CC=C(C=C4)O

Computed descriptors from PubChem (CID 5040063), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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