Chemical Research Letters, April 2021. Catalysts allow a reaction to proceed via a pathway that has a lower activation energy than the uncatalyzed reaction. 4397-53-9, Name is 4-Benzyloxybenzaldehyde, molecular formula is C14H12O2, Computed Properties of https://www.ambeed.com/products/4397-53-9.html, belongs to isothiazole compound, is a common compound. In a patnet, author is Luyten, I, once mentioned the new application about 4397-53-9.
2′-Deoxy-5-(isothiazol-5-yl)uridine (12) was synthesized starting from 2′-deoxy-5-iodouridine using a Pd-catalysed cross-coupling reaction with propiolaldehyde diethyl acetal followed by deprotection and ring closure using thiosulfate. 2′-Deoxyuridine 12 has a particular place among the 5-heteroaryl-substituted 2′-deoxyuridines in that it has a high affinity for herpes simplex virus type 1(HSV-1)-encoded thymidine kinase (TK) without antiviral activity. Biochemical studies revealed that 12 is a substrate for viral TK. We further investigated the interaction of 12 with the HSV-1 thymidine kinase. The conformation of 12 in solution was established by NMR spectroscopy. The most stable conformer 12A has the S-atom of the isothiazole ring placed in the neighbourhood of the C(4)=O group of the pyrimidine moiety. The compound was docked in its most stable conformation in the active site of HSV-1 TK and subjected to energy minimization. This demonstrated that the isothiazole moiety binds in a cavity lined by the side chains of Tyr-132, Arg-163, Ala-167, and Ala-168 and that the C(3) atom of the isothiazole moiety is located in close proximity of the phenolic O-atom of Tyr-132 and the aliphatic part of the Arg-163 side chain.
Each elementary reaction can be described in terms of its molecularity, the number of molecules that collide in that step. If you are hungry for even more, make sure to check my other article about 4397-53-9, Computed Properties of https://www.ambeed.com/products/4397-53-9.html.
Reference:
Isothiazole – Wikipedia,
,Isothiazole – ScienceDirect.com