HPTE

Synonyms: "2,2-bis(4-hydroxyphenyl)-1,1,1-trichloroethane", "hydroxychlor", "HPTE", "p,p'-hydroxy-DDT", "p,p'-HO-DDT", "1,1,1-trichloro-2,2-bis(4-hydroxyphenyl)ethane"

Source: HPTE is a metabolite of the organochlorine pesticide methoxychlor.

Identifiers:

IUPAC Name: 4-[2,2,2-trichloro-1-(4-hydroxyphenyl)ethyl]phenol
CAS Number: 2971-36-0
PubChem ID: 76302
InChiKey: IUGDILGOLSSKNE-UHFFFAOYSA-N
Canonical SMILES: C1=CC(=CC=C1C(C2=CC=C(C=C2)O)C(Cl)(Cl)Cl)O

Structural Properties:

Molecular Formula: C₁₄H₁₁Cl₃O₂
Molecular Weight: 317.595

Pharmacophore Features:

Number of bond donors: 2
Number of bond acceptors: 2
Number of atoms different from hydrogen: 19

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2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

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Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors

Blair RM, Fang H, Branham WS, Hass BS, Dial SL, Moland CL, Tong W, Shi L, Perkins R, Sheehan DM. 2000. The estrogen receptor relative binding affinities of 188 natural and xenochemicals: structural diversity of ligands. Toxicol Sci 54(1):138-153.

Gaido KW, Maness SC, McDonnell DP, Dehal SS, Kupfer D, Safe S. 2000. Interaction of methoxychlor and related compounds with estrogen receptor [alpha] and [beta], and androgen receptor: structure-activity studies. Mol Pharmacol 58(4):852-858.

Maness SC, McDonnell DP, Gaido KW. 1998. Inhibition of androgen receptor-dependent transcriptional activity by DDT isomers and methoxychlor in HEPG2 human hepatoma cells. Toxicol Appl Pharmacol 151(1):135-142.