912627-98-6

912627-98-6 structure
912627-98-6 structure
  • Name: 2-Phenylethyl isothiocyanate-d5
  • Chemical Name: [phenyl-2H5]phenethyl isothiocyanate
  • CAS Number: 912627-98-6
  • Molecular Formula: C9H4D5NS
  • Molecular Weight: 168.27000
  • Catalog: Signaling Pathways Anti-infection Fungal
  • Create Date: 2017-04-16 15:11:59
  • Modify Date: 2024-01-22 18:46:45
  • 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].

Name [phenyl-2H5]phenethyl isothiocyanate
Description 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].
Related Catalog
In Vitro 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].
References

[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.  

Molecular Formula C9H4D5NS
Molecular Weight 168.27000
Exact Mass 168.07700
PSA 44.45000
LogP 2.33190