Structure-Activity Relationships for Contact Allergenic Potential of .gamma.,.gamma.-Dimethyl-.gamma.-butyrolactone Derivatives. 1. Synthesis and Electrophilic Reactivity Studies of .alpha.-(.omega.-Substituted-alkyl)-.gamma.,.gamma.-dimethyl-.gamma.-butyrolactones and Correlation of Skin Sensitization Potential and Cross-Sensitization Patterns with Structure

Christelle Franot; David W. Roberts; Richard G. Smith; David A. Basketter; Claude Benezra; Jean-Pierre Lepoittevin

doi:10.1021/tx00039a005

Structure-Activity Relationships for Contact Allergenic Potential of .gamma.,.gamma.-Dimethyl-.gamma.-butyrolactone Derivatives. 1. Synthesis and Electrophilic Reactivity Studies of .alpha.-(.omega.-Substituted-alkyl)-.gamma.,.gamma.-dimethyl-.gamma.-butyrolactones and Correlation of Skin Sensitization Potential and Cross-Sensitization Patterns with Structure

Chemical Research in Toxicology ◽

10.1021/tx00039a005 ◽

1994 ◽

Vol 7 (3) ◽

pp. 297-306 ◽

Cited By ~ 21

Author(s):

Christelle Franot ◽

David W. Roberts ◽

Richard G. Smith ◽

David A. Basketter ◽

Claude Benezra ◽

...

Keyword(s):

Skin Sensitization ◽

Structure Activity Relationships ◽

Structure Activity ◽

Allergenic Potential ◽

Alpha Omega ◽

Electrophilic Reactivity ◽

Gamma Butyrolactone

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Structure-Activity Relationships for Contact Allergenic Potential of .gamma.,.gamma.-Dimethyl-.gamma.-butyrolactone Derivatives. 2. Quantitative Structure-Skin Sensitization Relationships for .alpha.-Substituted-.alpha.-methyl-.gamma.,.gamma.-dimethyl-.gamma.-butyrolactones

Chemical Research in Toxicology ◽

10.1021/tx00039a006 ◽

1994 ◽

Vol 7 (3) ◽

pp. 307-312 ◽

Cited By ~ 27

Author(s):

Christelle Franot ◽

David W. Roberts ◽

David A. Basketter ◽

Claude Benezra ◽

Jean-Pierre Lepoittevin

Keyword(s):

Skin Sensitization ◽

Quantitative Structure ◽

Structure Activity Relationships ◽

Structure Activity ◽

Allergenic Potential ◽

Gamma Butyrolactone

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Structure activity relationships in skin sensitization using the murine local lymph node assay

Toxicology ◽

10.1016/0300-483x(95)03132-y ◽

1995 ◽

Vol 103 (3) ◽

pp. 177-194 ◽

Cited By ~ 91

Author(s):

J Ashby

Keyword(s):

Lymph Node ◽

Skin Sensitization ◽

Local Lymph Node Assay ◽

Structure Activity Relationships ◽

Structure Activity ◽

Local Lymph Node

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Skin-sensitization structure-activity relationships for aldehydes

Contact Dermatitis ◽

10.1034/j.1600-0536.2001.044006331.x ◽

2001 ◽

Vol 44 (6) ◽

pp. 331-336 ◽

Cited By ~ 68

Author(s):

Grace Patlewicz ◽

David A. Basketter ◽

Camilla K. Smith ◽

Sharon A. M. Hotchkiss ◽

David W. Roberts

Keyword(s):

Skin Sensitization ◽

Structure Activity Relationships ◽

Structure Activity

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ChemInform Abstract: NEW AROMATIC DIAMIDINES WITH CENTRAL ALPHA-OXYALKANE OR ALPHA,OMEGA-DIOXYALKANE CHAINS, STRUCTURE-ACTIVITY RELATIONSHIPS FOR THE INHIBITION OF TRYPSIN, PANCREATIC KALLIKREIN, AND THROMBIN AND FOR THE INHIBITION OF THE OVERALL COAGULAT

Chemischer Informationsdienst ◽

10.1002/chin.197535151 ◽

1975 ◽

Vol 6 (35) ◽

pp. no-no

Author(s):

J. D. GERATZ ◽

M. C. F. CHENG ◽

R. R. TIDWELL

Keyword(s):

Structure Activity Relationships ◽

Structure Activity ◽

Alpha Omega

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Structure-activity relationships in the murine local lymph node assay for skin sensitization: ?,?-diketones

Contact Dermatitis ◽

10.1111/j.1600-0536.1999.tb06201.x ◽

1999 ◽

Vol 41 (1) ◽

pp. 14-17 ◽

Cited By ~ 31

Author(s):

D. W. Roberts ◽

M. York ◽

D. A. Basketter

Keyword(s):

Lymph Node ◽

Skin Sensitization ◽

Local Lymph Node Assay ◽

Structure Activity Relationships ◽

Structure Activity ◽

Local Lymph Node

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Structure-activity relationships for skin sensitization potential: Development of structural alerts for use in knowledge-based toxicity prediction systems

Journal of Chemical Information and Modeling ◽

10.1021/ci00017a019 ◽

1994 ◽

Vol 34 (1) ◽

pp. 154-161 ◽

Cited By ~ 41

Author(s):

M. P. Payne ◽

P. T. Walsh

Keyword(s):

Skin Sensitization ◽

Toxicity Prediction ◽

Structure Activity Relationships ◽

Knowledge Based ◽

Structure Activity ◽

Potential Development ◽

Structural Alerts ◽

Prediction Systems

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Probabilistic hazard assessment for skin sensitization potency by dose-response modeling using feature elimination instead of quantitative structure-activity relationships

Journal of Applied Toxicology ◽

10.1002/jat.3172 ◽

2015 ◽

Vol 35 (11) ◽

pp. 1361-1371 ◽

Cited By ~ 21

Author(s):

Thomas Luechtefeld ◽

Alexandra Maertens ◽

James M. McKim ◽

Thomas Hartung ◽

Andre Kleensang ◽

...

Keyword(s):

Hazard Assessment ◽

Dose Response ◽

Skin Sensitization ◽

Quantitative Structure ◽

Probabilistic Hazard Assessment ◽

Structure Activity Relationships ◽

Structure Activity ◽

Quantitative Structure Activity Relationships ◽

Response Modeling

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Application of structure–activity relationships to investigate the molecular mechanisms of hepatocyte toxicity and electrophilic reactivity ofα,β‐unsaturated aldehydes

Journal of Applied Toxicology ◽

10.1002/jat.1369 ◽

2008 ◽

pp. n/a-n/a ◽

Cited By ~ 4

Author(s):

Katie Chan ◽

Raymond Poon ◽

Peter J. O'Brien

Keyword(s):

Molecular Mechanisms ◽

Structure Activity Relationships ◽

Unsaturated Aldehydes ◽

Structure Activity ◽

Electrophilic Reactivity ◽

Hepatocyte Toxicity

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Structure−Activity Relationships for Degradation Reaction of 1-β-O-Acyl Glucuronides: Kinetic Description and Prediction of Intrinsic Electrophilic Reactivity under Physiological Conditions

Chemical Research in Toxicology ◽

10.1021/tx800292m ◽

2009 ◽

Vol 22 (1) ◽

pp. 158-172 ◽

Cited By ~ 28

Author(s):

Akiko Baba ◽

Tadao Yoshioka

Keyword(s):

Kinetic Description ◽

Physiological Conditions ◽

Structure Activity Relationships ◽

Structure Activity ◽

Acyl Glucuronides ◽

Degradation Reaction ◽

Electrophilic Reactivity

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Quantitative structure-activity relationships for skin sensitization potential of urushiol analogues

Contact Dermatitis ◽

10.1111/j.1600-0536.1993.tb03487.x ◽

1993 ◽

Vol 29 (2) ◽

pp. 78-83 ◽

Cited By ~ 9

Author(s):

David W. Roberts ◽

Claude Benezra

Keyword(s):

Skin Sensitization ◽

Quantitative Structure ◽

Structure Activity Relationships ◽

Structure Activity ◽

Quantitative Structure Activity Relationships

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