For research use only. Not for therapeutic Use.
2-Phenylethyl isothiocyanate-d5 isothiocyanate-d5 is the deuterium labeled 2-Phenylethyl isothiocyanate[1]. 2-Phenylethyl isothiocyanate is a potent antifungal agent. 2-Phenylethyl isothiocyanate significantly inhibited spore germination and mycelial growth of Alternaria alternata, with a MIC (minimum inhibitory concentration) of 1.22 mM. The antifungal effect of 2-Phenylethyl isothiocyanate against Alternaria alternata might be via reduction in toxin content and breakdown of cell membrane integrity[2][3].
Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and metabolic profiles of drugs[1].
| Catalog Number | I041682 |
| CAS Number | 912627-98-6 |
| Synonyms | 1,2,3,4,5-pentadeuterio-6-(2-isothiocyanatoethyl)benzene |
| Molecular Formula | C9H4D5NS |
| Purity | ≥95% |
| InChI | InChI=1S/C9H9NS/c11-8-10-7-6-9-4-2-1-3-5-9/h1-5H,6-7H2/i1D,2D,3D,4D,5D |
| InChIKey | IZJDOKYDEWTZSO-RALIUCGRSA-N |
| SMILES | C1=CC=C(C=C1)CCN=C=S |
| Reference | [1]. Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53(2):211-216. [2]. B. J. Smith, et al. In vitro inhibition of soil microorganisms by 2-phenylethyl isothiocyanate. Plant Pathology. 4 October 2002;51(5):585-593. [3]. Zhang M, et al. 2-Phenylethyl Isothiocyanate Exerts Antifungal Activity against Alternaria alternata by Affecting Membrane Integrity and Mycotoxin Production. Toxins (Basel). 2020 Feb 1512(2):124. |
