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Literature DB >> 17723240

The three-dimensional structure of 3,3',4,4'-tetrachlorobiphenyl, a dioxin-like polychlorinated biphenyl (PCB).

Nadim S Shaikh¹, Sean Parkin, Gregor Luthe, Hans-Joachim Lehmler.

Abstract

The crystal structure of PCB 77 (3,3',4,4'-tetrachlorobiphenyl, C(12)H(6)Cl(4)), a dioxin-like PCB congener, is described. The dihedral angle of PCB 77 is 43.94(6) degrees, which is slightly larger than calculated or experimental dihedral angles of biphenyl derivatives in solution but smaller than experimental dihedral angles in the gas phase.

Entities: Chemical

Mesh：

Substances：

Year: 2007 PMID： 17723240 PMCID： PMC2430941 DOI： 10.1016/j.chemosphere.2007.07.017

Source DB: PubMed Journal: Chemosphere ISSN： 0045-6535 Impact factor: 7.086

11 in total

1. The three-dimensional structure of 3, 3', 5'-trichloro-4-methoxybiphenyl, a "coplanar" polychlorinated biphenyl (PCB) derivative.

Authors: Hans-Joachim Lehmler; Sean Parkin; Larry W Robertson
Journal: Chemosphere Date: 2002-01 Impact factor: 7.086

2. Intestinal bioavailability and biotransformation of 3,3',4,4'-tetrachlorobiphenyl (CB 77) in in situ preparations of channel catfish following dietary induction of CYP1A.

Authors: Adriana M Doi; Zhen Lou; Earnestine Holmes; Changaram S Venugopal; Beatrice Nyagode; Margaret O James; Kevin M Kleinow
Journal: Aquat Toxicol Date: 2005-12-20 Impact factor: 4.964

3. 2,3,7,8-Tetrachlorodibenzofuran in a commercially available 99% pure polychlorinated biphenyl isomer identified as the inducer of hepatic cytochrome P-448 and aryl hydrocarbon hydroxylase in the rat.

Authors: J A Goldstein; J R Hass; P Linko; D J Harvan
Journal: Drug Metab Dispos Date: 1978 May-Jun Impact factor: 3.922

4. Influence of fluoro-substitution on the planarity of 4-chlorobiphenyl (PCB 3).

Authors: G Luthe; D C Swenson; L W Robertson
Journal: Acta Crystallogr B Date: 2007-03-16

5. Immunochemical quantitation of cytochrome P-450 isozymes and epoxide hydrolase in liver microsomes from polychlorinated or polybrominated biphenyl-treated rats. A study of structure-activity relationships.

Authors: A Parkinson; S H Safe; L W Robertson; P E Thomas; D E Ryan; L M Reik; W Levin
Journal: J Biol Chem Date: 1983-05-10 Impact factor: 5.157

6. Further studies on metabolism in vivo of 3,4,3',4'-tetrachlorobiphenyl in rats: identification of minor metabolites in rat faeces.

Authors: N Koga; M Beppu; C Ishida; H Yoshimura
Journal: Xenobiotica Date: 1989-11 Impact factor: 1.908

Review 7. Polychlorinated biphenyls (PCBs): environmental impact, biochemical and toxic responses, and implications for risk assessment.

Authors: S H Safe
Journal: Crit Rev Toxicol Date: 1994 Impact factor: 5.635

8. Polychlorinated biphenyls as phenobarbitone-type inducers of microsomal enzymes. Structure-activity relationships for a series of 2,4-dichloro-substituted congeners.

Authors: M A Denomme; S Bandiera; I Lambert; L Copp; L Safe; S Safe
Journal: Biochem Pharmacol Date: 1983-10-01 Impact factor: 5.858

9. Environmental xenobiotics and the antihormones cyproterone acetate and spironolactone use the nuclear hormone pregnenolone X receptor to activate the CYP3A23 hormone response element.

Authors: E G Schuetz; C Brimer; J D Schuetz
Journal: Mol Pharmacol Date: 1998-12 Impact factor: 4.436

10. Crystallographic analysis of a hydroxylated polychlorinated biphenyl (OH-PCB) bound to the catalytic estrogen binding site of human estrogen sulfotransferase.

Authors: Sergei Shevtsov; Evgeniy V Petrotchenko; Lars C Pedersen; Masahiko Negishi
Journal: Environ Health Perspect Date: 2003-06 Impact factor: 9.031

13 in total

1. Development of a synthetic PCB mixture resembling the average polychlorinated biphenyl profile in Chicago air.

Authors: H X Zhao; A Adamcakova-Dodd; D Hu; K C Hornbuckle; C L Just; L W Robertson; P S Thorne; H-J Lehmler
Journal: Environ Int Date: 2009-04-17 Impact factor: 9.621

2. Improved syntheses of non-dioxin-like polychlorinated biphenyls (PCBs) and some of their sulfur-containing metabolites.

Authors: Sanjay Telu; Sean Parkin; Larry W Robertson; Hans-Joachim Lehmler
Journal: Environ Int Date: 2009-03-03 Impact factor: 9.621

The three-dimensional structure of 3,3',4,4'-tetrachlorobiphenyl, a dioxin-like polychlorinated biphenyl (PCB).

1. The three-dimensional structure of 3, 3', 5'-trichloro-4-methoxybiphenyl, a "coplanar" polychlorinated biphenyl (PCB) derivative.

2. Intestinal bioavailability and biotransformation of 3,3',4,4'-tetrachlorobiphenyl (CB 77) in in situ preparations of channel catfish following dietary induction of CYP1A.

3. 2,3,7,8-Tetrachlorodibenzofuran in a commercially available 99% pure polychlorinated biphenyl isomer identified as the inducer of hepatic cytochrome P-448 and aryl hydrocarbon hydroxylase in the rat.

4. Influence of fluoro-substitution on the planarity of 4-chlorobiphenyl (PCB 3).

5. Immunochemical quantitation of cytochrome P-450 isozymes and epoxide hydrolase in liver microsomes from polychlorinated or polybrominated biphenyl-treated rats. A study of structure-activity relationships.

6. Further studies on metabolism in vivo of 3,4,3',4'-tetrachlorobiphenyl in rats: identification of minor metabolites in rat faeces.

Review 7. Polychlorinated biphenyls (PCBs): environmental impact, biochemical and toxic responses, and implications for risk assessment.

8. Polychlorinated biphenyls as phenobarbitone-type inducers of microsomal enzymes. Structure-activity relationships for a series of 2,4-dichloro-substituted congeners.

9. Environmental xenobiotics and the antihormones cyproterone acetate and spironolactone use the nuclear hormone pregnenolone X receptor to activate the CYP3A23 hormone response element.

10. Crystallographic analysis of a hydroxylated polychlorinated biphenyl (OH-PCB) bound to the catalytic estrogen binding site of human estrogen sulfotransferase.

1. Development of a synthetic PCB mixture resembling the average polychlorinated biphenyl profile in Chicago air.

2. Improved syntheses of non-dioxin-like polychlorinated biphenyls (PCBs) and some of their sulfur-containing metabolites.

3. Crystal structure and density functional theory studies of toxic quinone metabolites of polychlorinated biphenyls.

4. 3,5-Dichloro-3',4'-dimethoxybiphenyl.

5. Synthesis and Solid State Structure of Fluorous Probe Molecules for Fluorous Separation Applications.

6. Biphenyl-4-yl 2,2,2-trichloro-ethyl sulfate.

7. 2,2',5',6-Tetra-chloro-4-[(1S)-1-methyl-prop-oxy]biphen-yl.

8. 4'-Chloro-biphenyl-4-yl 2,2,2-trichloro-ethyl sulfate.

9. 4'-Chloro-biphenyl-3-yl 2,2,2-trichloro-ethyl sulfate.

10. 3',4'-Dichloro-biphenyl-4-yl 2,2,2-trichloro-ethyl sulfate.