PMID- 37937664
OWN - NLM
STAT- MEDLINE
DCOM- 20231216
LR  - 20231216
IS  - 1600-0536 (Electronic)
IS  - 0105-1873 (Linking)
VI  - 90
IP  - 1
DP  - 2024 Jan
TI  - Skin sensitization data for methyl esters of sulphonic acids-Corrections to 
      published databases required.
PG  - 84-88
LID - 10.1111/cod.14455 [doi]
AB  - BACKGROUND: Several methyl esters of sulphonic acids are listed in murine local 
      lymph node assay (LLNA) databases, with dose-response data and EC3 values. 
      However, some of these entries are questionable-in one case the chemical tested 
      is not the chemical named in the databases and in others the EC3 value has been 
      derived by extrapolation from data that do not meet the applicability criteria 
      for the approved extrapolation method. OBJECTIVES: To consider how LLNA data came 
      to be attributed to the wrong chemical and to address the inappropriate 
      extrapolated EC3 values. METHODS: Dose-response data for methyl 
      hexadec-3-enesulphonate (wrongly named as methyl hexadec-1-enesulphonate), two 
      other methyl sulphonates and hexadec-1-ene-1,3-sultone are re-evaluated using the 
      single dose probit extrapolation method (SDPEM). The different reaction chemistry 
      profiles of methyl hexadec-3-enesulphonate and methyl hexadec-1-enesulphonate are 
      discussed. RESULTS: Extrapolated EC3 values for hexadec-1-ene-1,3-sultone are the 
      same by both methods but for the methyl sulphonates the differences are 
      substantial. CONCLUSIONS: Current databases should be corrected and further 
      analysed to identify other cases where EC3 values are likely to be unreliable due 
      to inappropriate estimation by extrapolation.
CI  - (c) 2023 The Authors. Contact Dermatitis published by John Wiley & Sons Ltd.
FAU - Roberts, David W
AU  - Roberts DW
AUID- ORCID: 0000-0001-6112-5868
AD  - School of Pharmacy and Biomolecular Sciences, Liverpool John Moores University, 
      Liverpool, UK.
LA  - eng
PT  - Journal Article
DEP - 20231108
PL  - England
TA  - Contact Dermatitis
JT  - Contact dermatitis
JID - 7604950
RN  - 0 (Allergens)
RN  - 0 (Esters)
RN  - 83-31-8 (naphthosultone)
SB  - IM
MH  - Animals
MH  - Mice
MH  - Humans
MH  - *Dermatitis, Allergic Contact/etiology/pathology
MH  - Allergens
MH  - Esters
MH  - Lymph Nodes
MH  - Skin
MH  - Local Lymph Node Assay
OTO - NOTNLM
OT  - methyl sulphonates
OT  - misattribution of LLNA data
OT  - potency by extrapolation
EDAT- 2023/11/08 12:44
MHDA- 2023/12/17 09:44
CRDT- 2023/11/08 06:43
PHST- 2023/10/15 00:00 [revised]
PHST- 2023/09/20 00:00 [received]
PHST- 2023/10/23 00:00 [accepted]
PHST- 2023/12/17 09:44 [medline]
PHST- 2023/11/08 12:44 [pubmed]
PHST- 2023/11/08 06:43 [entrez]
AID - 10.1111/cod.14455 [doi]
PST - ppublish
SO  - Contact Dermatitis. 2024 Jan;90(1):84-88. doi: 10.1111/cod.14455. Epub 2023 Nov 
      8.