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Forty-two new disubstituted phenylsulfamates have been synthesized, and 30 of these have been combined with 40 already available from earlier work to create a training database of 70 compounds. On the basis of panel taste data these were divided into three categories, N (nonsweet), N/S (nonsweet/sweet), and (S) sweet, and a “sweetness value” or weighting was also calculated for each compound. Using these 70 compounds as a training set and a series of nine predictors derived from Corey-Pauling-Koltun (CPK) models, calculated from the PC SPARTAN PRO program and Hammett sigma values taken from the literature, a classification and regression tree analysis (CART) was carried out leading to a regression tree that correctly classified 62 of the 70 compounds (89% overall correct classification). The tree’s predictive ability varies for the different taste categories, and for nonsweet compounds it is virtually 100%; for nonsweet/sweet compounds it is 66%, and for sweet compounds it is ?75%. This tree correctly predicted taste categories for 10 compounds from a test set of 12 randomly selected from among the 42 new compounds (83% correct classification). Therefore, it can be used with a good degree of confidence to predict the tastes of disubstituted phenylsulfamates. For the design of new sweeteners, appropriate values or ranges of the descriptors are derived.

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Benzodioxan,
1,4-Benzodioxane | C8H8O2 – PubChem

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A transition-metal-free method for the synthesis of C6 phenanthridine derivatives by arylative cyclization of 2-isocyanobiphenyls with arylamines in one pot was developed. Mechanistic studies suggest that electrophilic aromatic substitution (SEAr) of a nitrilium intermediate and homolytic aromatic substitution (HAS) of an imidoyl radical intermediate are two competitive reaction pathways involved in the annulation step.

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Benzodioxan,
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The present invention provides 4-pyrimidineamine compounds having antiproliferative activity, compositions comprising the compounds and methods of using the compounds to inhibit cellular proliferation and to treat proliferative diseases such as tumorigenic cancers.

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Benzodioxan,
1,4-Benzodioxane | C8H8O2 – PubChem

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Seven new quinoline-based bioorganic compounds were prepared by solvent-free synthesis and characterized using spectral techniques. The binding of these compounds with human serum albumin (HSA) was investigated by multi-spectroscopic methods. The quenching of Trp fluorescence upon addition of these compounds to HSA confirmed their significant binding. The quenching analysis at three different temperatures revealed that the complex formation is static and the reaction is entropy driven, spontaneous, and exothermic. Hydrogen bonds and van der Waals forces mainly contributed in the interactions as confirmed by the negative DeltaH and DeltaS values as well as molecular docking. The results from the circular dichroism (CD) spectroscopy indicated the minimal conformational changes of the protein upon binding with these quinoline compounds. The specific binding site and mode of interactions with HSA were also modeled using induced fit molecular docking procedure and their binding site was found to be in the interface of domains II and III, which is similar to the binding of the drug iodipamide with serum albumin. Communicated by Ramaswamy H. Sarma.

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Benzodioxan,
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Compounds, pharmaceutical compositions containing them and their use treatment of conditions mediated by the TRPC3 and/or TRPC6 ion channels.

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Benzodioxan,
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The invention relates to triazines and the use thereof to inhibit lysophosphatidic acid acyltransferase beta (LPAAT-beta) activity. The invention further relates to methods of treating cancer using said triazines. The invention also relates to methods for screening for LPAAT-beta activity

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Benzodioxan,
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A new and efficient indium-mediated one-pot three-component reaction for the synthesis of N-aryl-substituted homoallylamines from aromatic amines, enol ethers, and allylic bromides in THF at room temperature is described.

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Benzodioxan,
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A series of 5-substituted 3-phosphonylated isoxazolidines have been obtained via cycloaddition of N-methyl-C-(diethoxyphosphoryl)nitrone with N-heteroaromatic acrylamides. Good trans/cis diastereoselectivities (d.e. 58-76%) of isomeric (3-diethoxyphosphoryl)isoxazolidines were observed. cis-and trans-Isoxazolidine phosphonates were evaluated for their antiviral activity against a broad range of DNA and RNA viruses but were found inactive. Their cytostatic activity toward L1210, CEM, and HeLa cells was also established, and compounds cis-12r and trans-11r having a 2,2-difluorobenzo[d][1,3]dioxole moiety slightly inhibited proliferation of HeLa cells at IC50 values of 186 and 179 M, respectively.

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Benzodioxan,
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A series of C(7)-N-alkylaminoethyl-C(10), C(11)-methylenedioxy- and ethylenedioxy-camptothecin (3a-g, 4a-h) were prepared. Their syntheses and in vitro cytotoxicity were reported. Among 15 derivatives, 3a and 3b showed more potent cytotoxicity than Camptothecin, especially in CAOV-3 cell line.

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Benzodioxan,
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A preliminary communication reported on the pharmacology of the potent partial alpha2-agonist (2-(1,4-benzodioxan-6-ylamino)-2-imidazoline, a 1,4-dioxan derivative of clonidine.Its degree of agonism/antagonism depended upon the peripheral or central alpha2-adrenoreceptor system studied.It was of interest to discover whether a similar substitution of the 1,4-dioxan moiety in other standard alpha-adrenergic agents would similary produce high affinity compounds of complex pharmacological profile.The same substitution when introduced into guanfacine, fenmetazole and tolazoline resulted in unpredictable changes in profile with a reduction in alpha-affinity. – alpha2-adrenoreceptors/antagonism/agonism/clonidine derivatives/1,4-dioxan derivatives

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