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Chemistry involves the study of all things chemical – chemical processes, chemical compositions and chemical manipulation – in order to better understand the way in which materials are structured, how they change and how they react in certain situations. 18621-17-5, Name is 1-Benzhydrylazetidin-3-ol, molecular formula is C16H17NO, belongs to isothiazole compound. In a document, author is Yan, Shunqi, introduce the new discover, Reference of 18621-17-5.

Isothiazole analogs were discovered as a novel class of active-site inhibitors of HCV NS5B polyrnerase. The best compound has an IC50 of 200 nM and EC50 of 100 nM, which is a significant improvement over the starting inhibitor (1). The X-ray complex structure of I with HCV NS5B was obtained at a resolution of 2.2 angstrom, revealing that the inhibitor is covalently linked with Cys 366 of the ‘primer-grip’. Furthermore, it makes considerable contacts with the C-terminus, P-loop, and more importantly, to the active-site of the enzyme. The uniqueness of this binding mode offers a new insight for the rational design of novel inhibitors for HCV NS5B polymerase. (c) 2006 Elsevier Ltd. All rights reserved.

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Isothiazole – Wikipedia,
,Isothiazole – ScienceDirect.com

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Safety of 1-Benzhydrylazetidin-3-ol, Modeling chemical reactions helps engineers virtually understand the chemistry, optimal size and design of the system, and how it interacts with other physics that may come into play. 18621-17-5, Name is 1-Benzhydrylazetidin-3-ol, SMILES is C3=C(C(N1CC(O)C1)C2=CC=CC=C2)C=CC=C3, belongs to isothiazole compound. In a article, author is Clerici, F, introduce new discover of the category.

A series of isothiazole dioxides was synthesized and evaluated as inhibitors of protein farnesyltransferase from the parasite that causes African sleeping sickness (Trypanosoma brucei). The most potent compound in the series inhibited the parasite enzyme with an IC50 of 2 muM and blocked the growth of the bloodstream parasite in vitro with an ED50 of 10 muM. The same compound inhibited rat protein farnesyltransferase and protein geranylgeranyltransferase type I only at much higher concentration. (C) 2002 Elsevier Science Ltd. All rights reserved.

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Isothiazole – Wikipedia,
,Isothiazole – ScienceDirect.com

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Computed Properties of https://www.ambeed.com/products/18621-17-5.html, When developing chemical systems it’s of course important to gain a deep understanding of the chemical reaction process. 18621-17-5, Name is 1-Benzhydrylazetidin-3-ol, SMILES is C3=C(C(N1CC(O)C1)C2=CC=CC=C2)C=CC=C3, belongs to isothiazole compound. In a article, author is Hegelund, F, introduce new discover of the category.

The gas-phase high-resolution infrared spectrum of isothiazole in the range 600-1500 cm(-1) has been recorded, and revised band centres obtained for a number of vibrations. An analysis of the nu(11)(A’) band at 818 cm(-1) and the nu(16)(A) band at 727cm(-1) has been performed, using the Watson Hamiltonian, A-reduction, IIIr representation. These were combined with previous microwave spectral data to provide combined analyses for rotational constants and quartic centrifugal distortion constants Delta(J), Delta(JK), Delta(K), delta(J) and delta(K). These extend the knowledge derived from previous microwave and IR spectral studies. The equilibrium structures and the derived harmonic frequencies were calculated by ab initio methods, using a variety of basis sets with MP2, MP4 and CCSD(T) methods, and a comparison of these with experimental data is discussed. At a pragmatic level, the closest correlation of the rotational constants with experiment is not obtained with the most sophisticated methodology. Similarly, the vibration frequencies and intensities also vary strongly with the procedure. In particular, we found that the cc-pVTZ + MP2 results probably provide the best numerical comparison with experimental IR data for this molecule.

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Isothiazole – Wikipedia,
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Recommanded Product: 1-Benzhydrylazetidin-3-ol, Modeling chemical reactions helps engineers virtually understand the chemistry, optimal size and design of the system, and how it interacts with other physics that may come into play. 18621-17-5, Name is 1-Benzhydrylazetidin-3-ol, SMILES is C3=C(C(N1CC(O)C1)C2=CC=CC=C2)C=CC=C3, belongs to isothiazole compound. In a article, author is Liu, Bei-Bei, introduce new discover of the category.

Trisulfur radical anion (S-3(center dot-)) mediated reactions with in situ formed azoalkenes and alpha,beta-usaturated N-sulfonylimines for the construction of 1,2,3-thiadiazoles and isothiazoles has been developed. S-3(center dot-) is in situ generated from potassium sulfide in DMF. These two approaches provide a new, safe, and simple way to construct 4-subsituted 1,2,3-thiadiazoles, 5-subsituted 1,2,3-thiadiazoles, and isothiazole in good yields. The reactions include the formation of the new C-S and N-S bonds via S-3(center dot-) addition and electron detosylation under mild conditions.

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Isothiazole – Wikipedia,
,Isothiazole – ScienceDirect.com

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Product Details of 18621-17-5, Career opportunities within science and technology are seeing unprecedented growth across the world, and those who study chemistry or another natural science at university now have increasingly better career prospects. 18621-17-5, Name is 1-Benzhydrylazetidin-3-ol, SMILES is C3=C(C(N1CC(O)C1)C2=CC=CC=C2)C=CC=C3, belongs to isothiazole compound. In a article, author is de Vicente, Javier, introduce new discover of the category.

A series of benzo[d]isothiazole-1,1-dioxides were designed and evaluated as inhibitors of HCV polymerase NS5B. Structure-based design led to the incorporation of a high affinity methyl sulfonamide group. Structure-activity relationship (SAR) studies of this series revealed analogues with submicromolar potencies in the HCV replicon assay and moderate pharmacokinetic properties. SAR studies combined with structure based drug design focused on the sulfonamide region led to a novel and potent cyclic analogue. (C) 2009 Elsevier Ltd. All rights reserved.

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Isothiazole – Wikipedia,
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It was found that the reaction of 5-arylfurfurilamines with maleic anhydride leads to the formation of 6-aryl-3a,6-epoxyisoindole-7-carboxylic acids (the cyclic form), which in solution are in dynamic equilibrium with N-furfurylmaleinamides (the open form). During the esterification of these tautomeric mixtures with methanol in the presence of a catalytic amount of sulfuric acid, methyl esters of 5-aryl-7a-hydroxy-7-methoxy-3-oxo-2,3,3a,4,7,7a-hexahydro-1H-isoindole-4-carboxylic acids, unexpected cleavage products of the 3a,6-oxo bridge of the cyclic form, are formed diastereospecifically. The structure of the obtained products was confirmed by X-ray structural analysis.

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Isothiazole – Wikipedia,
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Trisulfur radical anion (S-3(center dot-)) mediated reactions with in situ formed azoalkenes and alpha,beta-usaturated N-sulfonylimines for the construction of 1,2,3-thiadiazoles and isothiazoles has been developed. S-3(center dot-) is in situ generated from potassium sulfide in DMF. These two approaches provide a new, safe, and simple way to construct 4-subsituted 1,2,3-thiadiazoles, 5-subsituted 1,2,3-thiadiazoles, and isothiazole in good yields. The reactions include the formation of the new C-S and N-S bonds via S-3(center dot-) addition and electron detosylation under mild conditions.

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Isothiazole – Wikipedia,
,Isothiazole – ScienceDirect.com

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Chemical engineers work across a number of sectors, processes differ within each of these areas, but chemistry and chemical engineering roles are found throughout, creation and manufacturing process of chemical products and materials. 18621-17-5, Name is 1-Benzhydrylazetidin-3-ol, molecular formula is C16H17NO, belongs to isothiazole compound. In a document, author is Clerici, F, introduce the new discover, Recommanded Product: 18621-17-5.

A series of isothiazole dioxides was synthesized and evaluated as inhibitors of protein farnesyltransferase from the parasite that causes African sleeping sickness (Trypanosoma brucei). The most potent compound in the series inhibited the parasite enzyme with an IC50 of 2 muM and blocked the growth of the bloodstream parasite in vitro with an ED50 of 10 muM. The same compound inhibited rat protein farnesyltransferase and protein geranylgeranyltransferase type I only at much higher concentration. (C) 2002 Elsevier Science Ltd. All rights reserved.

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Isothiazole analogs were discovered as a novel class of active-site inhibitors of HCV NS5B polyrnerase. The best compound has an IC50 of 200 nM and EC50 of 100 nM, which is a significant improvement over the starting inhibitor (1). The X-ray complex structure of I with HCV NS5B was obtained at a resolution of 2.2 angstrom, revealing that the inhibitor is covalently linked with Cys 366 of the ‘primer-grip’. Furthermore, it makes considerable contacts with the C-terminus, P-loop, and more importantly, to the active-site of the enzyme. The uniqueness of this binding mode offers a new insight for the rational design of novel inhibitors for HCV NS5B polymerase. (c) 2006 Elsevier Ltd. All rights reserved.

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Isothiazole – Wikipedia,
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The isothiazole derivative 3-methylthio-5-(4-OBn-phenyl)-4-isothiazolecarbonitrile, coded IS-50, which in previous studies had exhibited a broad antipicornavirus spectrum of action, was selected as the model for the synthesis of a new series of 3-methylthio-5-aryl-4-isothiazolecarbonitriles. These compounds were prepared in good yield (from 66 to 82%) by alkylation of 3-methylthio-5-(4-hydroxyphenyl)-4-isothiazolecarbonitrile with suitable bromides in the presence of acetone; only the 4-cyanophenoxy derivatives were obtained in a yield of less than 30%. All the compounds were screened against a panel of 17 representative human rhinovirus (HRV) serotypes belonging to both A and B groups, enteroviruses polio 1, ECHO 9 and Coxsackie B1, cardiovirus EMC, measles virus, and herpes simplex virus type I (HSV-1). Our results demonstrate that HRV 86 (group A) and HRVs 39 and 89 (group B) are the rhinovirus serotypes more susceptible to the action of these compounds. Isothiazole derivatives with a longer intermediate alkyl chain exhibited good activity against polio 1 and ECHO 9. The compound bearing a butyl group between the two phenoxy rings showed the lowest IC50 against Coxsackie B1 and measles viruses. No activity against HSV-1 was detected with any of the compounds screened. (C) 2002 Published by Elsevier Science B.V.

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Isothiazole – Wikipedia,
,Isothiazole – ScienceDirect.com