TABLE 1.
In vitro activity concentrations derived from the devTOX qP assay
| CASRN | Chemical name a | Abbreviation | Structure similarity | dTP (μM) | TP (μM) | dTPanalogue/dTPVPA | In vivo potency b | References | |
|---|---|---|---|---|---|---|---|---|---|
| 99‐66‐1 | Valproic acid | VPA | 1 | 236 | 318 | 1.0 |
|
Eikel, Lampen, and Nau (2006), Nau, Hauck, and Ehlers (1991), Nau and Löscher (1986) | |
| 149‐57‐5 | 2‐Ethylhexanoic acid | EHA | 0.77 | 399 | 390 | 1.7 |
|
Hauck, Wegner, Blumtritt, Fuhrhop, and Nau (1990) | |
| 31080‐39‐4 | 2‐Propylheptanoic acid | PHA | 0.58 | 546 | 425 | 2.3 |
|
Eikel et al. (2006) | |
| 1575‐72‐0 | 2‐Propyl‐4‐pentenoic acid | 4‐ene‐VPA | 0.64 | 611 | 636 | 2.6 |
|
Eikel et al. (2006), Nau et al. (1991), Nau and Löscher (1986) | |
| 1185‐39‐3 | 2,2‐Dimethylpentanoic acid c | DMPA | 0.35 | 784 | 1,745 | 3.3 |
|
Nau et al. (1991), Nau and Löscher (1986) | |
| 142‐62‐1 | Hexanoic acid | HA | 0.36 | 838 | 1,022 | 3.6 | ND | ||
| 591‐80‐0 | 4‐Pentenoic acid | PA | 0.48 | 913 | 719 | 3.9 |
|
Nau et al. (1991), Nau and Löscher (1986) | |
| 4536‐23‐6 | 2‐Methylhexanoic acid | MHA | 0.21 | 976 | 1,631 | 4.1 |
|
||
| 88‐09‐5 | 2‐Ethylbutyric acid | EBA | 0.6 | 1,071 | NE | 4.5 |
|
Nau et al. (1991), Nau and Löscher (1986) | |
| 97‐61‐0 | 2‐Methylpentanoic acid | MPA | 0.59 | 1,248 | NE | 5.3 | ND |
Abbreviations: NE, no effect detected within the exposure range tested; ND, not determined.
Note: The “+” and “−” signs indicate positive and negative results in the in vivo studies, respectively: +, slightly positive; ++, positive; +++, very positive.
a
The chemicals are sorted from the lowest to highest dTP values.
b
Potency relative to VPA based on results in the NMRI exencephaly‐mouse model using decision criteria in Eikel et al. (2006).
c
2,2‐Dimethylpentanoic acid and 2,2‐Dimethylvaleric acid are synonyms.