| Identification | Back Directory | [Name]
4-PHENYL-1,2,3-THIADIAZOLE | [CAS]
25445-77-6 | [Synonyms]
BUTTPARK 91\16-70
4-phenylthiadiazole
4-PHENYL-1,2,3-THIADIAZOLE
1,2,3-Thiadiazole, 4-phenyl-
4-Phenyl-1,2,3-thiadiazole ,98% | [EINECS(EC#)]
636-735-4 | [Molecular Formula]
C8H6N2S | [MDL Number]
MFCD00087232 | [MOL File]
25445-77-6.mol | [Molecular Weight]
162.21 |
| Chemical Properties | Back Directory | [Melting point ]
78°C | [Boiling point ]
100°C 1,5mm | [density ]
1.241±0.06 g/cm3(Predicted) | [Fp ]
100°C/1.5mm | [storage temp. ]
Store at -20°C | [solubility ]
DMF: 3 mg/ml; DMSO: 30 mg/ml; DMSO:PBS (pH 7.2) (1:1): 0.5 mg/ml; Ethanol: 10 mg/ml | [form ]
A crystalline solid | [pka]
-4.23±0.22(Predicted) | [BRN ]
119480 |
| Hazard Information | Back Directory | [Description]
Cytochrome P450 (CYP450) enzymes are a superfamily of oxidative catalysts important in the biosynthesis and metabolism of a wide range of endogenous molecules as well as the metabolism of xenobiotics. For example, CYP2B4 metabolizes substituted amines, CYP2E1 metabolizes various alcohols and halogenated alkenes, and CYP1A2 catalyzes the oxygenation of aromatic compounds and polycyclic hydrocarbons. 4-phenyl-1,2,3-Thiadiazole is, at 100 μM, a selective inhibitor of certain CYP450 enzymes (CYP2B4, CYP2E1), but not others (CYP1A2), with inactivation occurring in a mechanism-based manner. 1,2,3-Thiadiazole compounds and their derivatives, including 4-phenyl-1,2,3-thiadiazole, are also commonly used as fungicides, herbicides, and plant growth regulators. | [Chemical Properties]
Off-white to light brown solid | [Uses]
4-Phenyl-1,2,3-thiadiazole is an CYP2B4 and CYP2E1 inhibitor. 4-Phenyl-1,2,3-thiadiazole inhibits the oxidation of 1-phenylethanol to acetophenone by CYP2B4 and CYP2E1[1]. | [Synthesis Reference(s)]
Journal of Medicinal Chemistry, 28, p. 442, 1985 DOI: 10.1021/jm00382a009 | [References]
[1] Babu BR, et al. 1,2,3-Thiadiazole: a novel heterocyclic heme ligand for the design of cytochrome P450 inhibitors. Biochemistry. 1997 Jun 10;36(23):7209-16. DOI:10.1021/bi9623183 |
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