Tag: M.W=400-500

One of the major reasons for studying chemical kinetics is to use measurements of the macroscopic properties of a system, such as the rate of change in the concentration of reactants or products with time. 564-25-0, Name is (4S,4aR,5S,5aR,6R,12aS)-4-(Dimethylamino)-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide, formurla is C22H24N2O8. In a document, author is ADAMS, GW, introducing its new discovery. Category: isothiazole.

NEGATIVE-ION FRAGMENTATIONS OF DEPROTONATED HETEROCYCLES – THE ISOTHIAZOLE, THIAZOLE, ISOXAZOLE, AND OXAZOLE RING-SYSTEMS

The major collision-induced dissociations of deprotonated isothiazole occur from the 5-anion, while deprotonated thiazole fragments almost equally through the 2- and 5-anions. Both 5-anions fragment by a simple retro cleavage yielding HC2S- and HCN. The 5-anion of isothiazole and the 2-anion of thiazole also rearrange to the common intermediate -SCH = CHCN which decomposes by losses of H-2, HCN and H2S, There is no evidence for direct interconversion of isothiazole and thiazole anions. The spectra of deprotonated methylisothiazoles and methylthiazoles are complex, but the major fragmentations are of ring deprotonated ions and are generally analogous to the parent systems. The fragmentation behaviour of deprotonated isoxazole and oxazole is analogous to that of the isothiazole and thiazole systems.

I hope this article can help some friends in scientific research. I am very proud of our efforts over the past few months and hope to 564-25-0 help many people in the next few years. Category: isothiazole.

Reference:
Isothiazole – Wikipedia,
,Isothiazole – ScienceDirect.com

 

Chemistry is the experimental science by definition. We want to make observations to prove hypothesis. For this purpose, we perform experiments in the lab. , Formula: C22H24N2O8, 564-25-0, Name is (4S,4aR,5S,5aR,6R,12aS)-4-(Dimethylamino)-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide, molecular formula is C22H24N2O8, belongs to isothiazole compound. In a document, author is Pasha, Fahran Ahmad, introduce the new discover.

Molecular Docking and 3D QSAR Studies of Chk2 Inhibitors

Isothiazole-carboxamidines are potent ATP competitive checkpoint kinases (Chk2) inhibitors. Three-dimensional quantitative structure-activity relationship models were developed using comparative molecular field analysis and comparative molecular similarity indices analysis. The study was performed using three different geometrical methods. In geometrical method-1, molecules were fully optimized by PM3 Hamiltonian and aligned using common substructure. This alignment was subsequently used for Ligand-based comparative molecular field analysis and comparative molecular similarity indices analysis. In receptor-guided analyses, the receptor coordinates were obtained from public domine (PDB 2cn8). The molecule-7 was docked into receptor protein using FlexX and two plausible binding modes were identified. These modes were used as templates for geometrical method-2 and 3. These methods were used for 3D QSAR. The geometrical method-3-based comparative molecular field analysis (q (2) = 0.75, r (2) = 0.87 and r (2)(predict) = 0.81) and comparative molecular similarity indices analysis (q (2) = 0.90, r (2) = 0.96 and r (2)(predict) = 0.75) gave better result. The steric, hydrophobic and hydrogen bond donor fields effects significantly contribute to activity. In this way, the receptor-guided study presents a more detailed understanding about chk2 active site interactions. The study indicated some modifications to the active molecule which might be valuable to improve the activity.

A reaction mechanism is the microscopic path by which reactants are transformed into products. Each step is an elementary reaction. In my other articles, you can also check out more blogs about 564-25-0. Formula: C22H24N2O8.

Reference:
Isothiazole – Wikipedia,
,Isothiazole – ScienceDirect.com

 

In an article, author is CLERICI, F, once mentioned the application of 564-25-0, Name is (4S,4aR,5S,5aR,6R,12aS)-4-(Dimethylamino)-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide, molecular formula is C22H24N2O8, molecular weight is 444.4346, MDL number is MFCD00800994, category is isothiazole. Now introduce a scientific discovery about this category, Recommanded Product: 564-25-0.

N-SULFONYLAMIDINES .4. INTRAMOLECULAR CYCLIZATION OF N-SULFONYLAMIDINES OF 2-OXOACIDS – A NEW SYNTHESIS OF 3-AMINOISOTHIAZOLE S,S-DIOXIDES

N-alkylsulfonylamidines of alpha-ketoacids 3 bearing both a carbonyl group and at least one H-atom near to the SO2 group give easily an intramolecular ring-closure reaction by action of potassium t-butoxide producing the 3-amino-4,5-dihydro-4-hydroxy-isothiazole S,S-dioxides 4. Compounds 4 are transformed by thionyl chloride into the corresponding chloro-derivatives 5 which in turn are dehydrochlorinated by potassium carbonate to substituted 3-amino-isothiazole S,S-dioxides 6.

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Reference:
Isothiazole – Wikipedia,
,Isothiazole – ScienceDirect.com

 

Reference of 564-25-0, The transformation of simple hydrocarbons into more complex and valuable products via catalytic C¨CH bond functionalisation has revolutionised modern synthetic chemistry. 564-25-0, Name is (4S,4aR,5S,5aR,6R,12aS)-4-(Dimethylamino)-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide, SMILES is O=C(C1=C(O)[C@@H](N(C)C)[C@@]([C@@H](O)[C@@]2([H])C(C(C3=C(O)C=CC=C3[C@@H]2C)=O)=C4O)([H])[C@@]4(O)C1=O)N, belongs to isothiazole compound. In a article, author is Rovira, Alexander R., introduce new discover of the category.

Expanding a fluorescent RNA alphabet: synthesis, photophysics and utility of isothiazole-derived purine nucleoside surrogates

A series of emissive ribonucleoside purine mimics, all comprised of an isothiazolo[4,3-d]pyrimidine core, was prepared using a divergent pathway involving a key Thorpe-Ziegler cyclization. In addition to an adenosine and a guanosine mimic, analogues of the noncanonical xanthosine, isoguanosine, and 2-aminoadenosine were also synthesized and found to be emissive. Isothiazolo 2-aminoadenosine, an adenosine surrogate, was found to be particularly emissive and effectively deaminated by adenosine deaminase. Competitive studies with adenosine deaminase with each analogue in combination with native adenosine showed preference for the native substrate while still deaminating the isothiazolo analogues.

Reference of 564-25-0, One of the oldest and most widely used commercial enzyme inhibitors is aspirin, which selectively inhibits one of the enzymes involved in the synthesis of molecules that trigger inflammation. you can also check out more blogs about 564-25-0.

Reference:
Isothiazole – Wikipedia,
,Isothiazole – ScienceDirect.com

 

Related Products of 564-25-0, As an important bridge between the micro and macro material world, chemistry is one of the main methods and means for humans to understand and transform the material world. 564-25-0, Name is (4S,4aR,5S,5aR,6R,12aS)-4-(Dimethylamino)-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide, SMILES is O=C(C1=C(O)[C@@H](N(C)C)[C@@]([C@@H](O)[C@@]2([H])C(C(C3=C(O)C=CC=C3[C@@H]2C)=O)=C4O)([H])[C@@]4(O)C1=O)N, belongs to isothiazole compound. In a article, author is Li, Min, introduce new discover of the category.

Crystallographic study of two monoazo disperse dyes with a D-pi-A system

Two azo disperse dyes, 2,6-dichoro-4-nitro-4,4-N-cyanoethyl-N-benzyl-azobenzene (D1) and 3-(3-methyl-4-N-ethyl-N-benzyl-phenyldiazenyl)-5-nitro-2,1-benzisothiazole (D2), were synthesised and characterised. The crystal morphologies and single crystal structures were measured. The various packing and supramolecular interactions were described. D1 formed stellate crystals. The two benzene rings bilateral to the azo unit were not coplanar. Their dihedral angle was 75.72 degrees. They were linked by the azo unit and were twisted. The coupling-component N-substituted benzyl and benzene rings were not coplanar. The chemical structure was not the typical azo structure. A dimeric packing mode was formed between adjacent molecules in a head-to-head and tail-to-tail manner. One molecule was inserted between two dimeric molecules in a head-to-tail manner. D2 formed globe crystals. The isothiazole and benzene rings of the azo unit were coplanar, with the typical – conjugated structure. The benzene rings of the azo unit and the coupling-component N-substituted benzyl were vertical. Their torsion angle was 179.9 degrees.

Related Products of 564-25-0, The reactant in an enzyme-catalyzed reaction is called a substrate. Enzyme inhibitors cause a decrease in the reaction rate of an enzyme-catalyzed reaction.I hope my blog about 564-25-0 is helpful to your research.

Reference:
Isothiazole – Wikipedia,
,Isothiazole – ScienceDirect.com

 

Application of 564-25-0, The transformation of simple hydrocarbons into more complex and valuable products via catalytic C¨CH bond functionalisation has revolutionised modern synthetic chemistry. 564-25-0, Name is (4S,4aR,5S,5aR,6R,12aS)-4-(Dimethylamino)-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide, SMILES is O=C(C1=C(O)[C@@H](N(C)C)[C@@]([C@@H](O)[C@@]2([H])C(C(C3=C(O)C=CC=C3[C@@H]2C)=O)=C4O)([H])[C@@]4(O)C1=O)N, belongs to isothiazole compound. In a article, author is Kiselyov, Alex S., introduce new discover of the category.

Novel derivatives of 1,3,4-oxadiazoles are potent mitostatic agents featuring strong microtubule depolymerizing activity in the sea urchin embryo and cell culture assays

A series of novel 1,3,4-oxadiazole derivatives based on structural and electronic overlap with combretastatins have been designed and synthesized. Initially, we tested all new compounds in vivo using the phenotypic sea urchin embryo assay to yield a number of agents with anti-proliferative, anti-mitotic, and microtubule destabilizing activities. The experimental data led to identification of 1,3,4-oxadiazole derivatives with isothiazole (5-8) and phenyl (9-12) pharmacophores featuring activity profiles comparable to that of combretastatins, podophyllotoxin and nocodazole. Cytotoxic effects of the two lead molecules, namely 6 and 12, were further confirmed and evaluated by conventional assays with the A549 human cancer cell line including cell proliferation, cell cycle arrest at the G2/M phase, cellular microtubule distribution, and finally in vitro microtubule assembly with purified tubulin. The modeling results using 3D similarity (ROCS) and docking (FRED) correlated well with the observed activity of the molecules. Docking data suggested that the most potent molecules are likely to target the colchicine binding site. (C) 2010 Elsevier Masson SAS. All rights reserved.

Application of 564-25-0, The reactant in an enzyme-catalyzed reaction is called a substrate. Enzyme inhibitors cause a decrease in the reaction rate of an enzyme-catalyzed reaction.I hope my blog about 564-25-0 is helpful to your research.

Reference:
Isothiazole – Wikipedia,
,Isothiazole – ScienceDirect.com

 

Chemistry, like all the natural sciences, Recommanded Product: (4S,4aR,5S,5aR,6R,12aS)-4-(Dimethylamino)-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide, begins with the direct observation of nature¡ª in this case, of matter.564-25-0, Name is (4S,4aR,5S,5aR,6R,12aS)-4-(Dimethylamino)-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide, SMILES is O=C(C1=C(O)[C@@H](N(C)C)[C@@]([C@@H](O)[C@@]2([H])C(C(C3=C(O)C=CC=C3[C@@H]2C)=O)=C4O)([H])[C@@]4(O)C1=O)N, belongs to isothiazole compound. In a document, author is Que, Chuqiang, introduce the new discover.

Intramolecular Carbene C-H Insertion Reactions of 2-Diazo-2-sulfamoylacetamides

The intramolecular C-H insertions of carbenes derived from 2-diazo-2-sulfamoylacetamides were studied. 2-Diazo-2-sulfamoylacetamides were first prepared from chloroacetyl chloride and secondary amines through acylation followed by sequential treatments with sodium sulfite, phosphorus oxychloride, secondary amines, and 4-nitrobenzenesulfonyl azide. The results indicate that: (1) 2-diazo-N,N-dimethyl-2-(N,N-diphenylsulfamoyl)acetamide can take the formal aromatic 1,5-C-H insertion in its N-phenylsulfonamide moiety to afford the corresponding 1,3-dihydrobenzo[c]isothiazole-3-carboxamide 2,2-dioxide derivative; (2) no aliphatic C-H insertions occur for 2-diazo-2-(N,N-dialkylsulfamoyl)acetamides; and (3) for 2-diazo-N-phenyl-2-(N-phenylsulfamoyl)acetamides, the formal aromatic 1,5-C-H insertion in the N-phenylacetamide moiety is favorable to afford the corresponding 3-sulfamoylindolin-2-one derivatives as sole or major products. The intramolecular competitive aromatic 1,5-C-H insertion reactions of 2-diazo-2-sulfamoylacetamides with aryl groups on both amide and sulfonamide groups reveal that the N-aryl substituents on acetamide are more active than those on sulfonamide. The chemoselectivity is controlled by electronic effect of the aryl group.

Note that a catalyst decreases the activation energy for both the forward and the reverse reactions and hence accelerates both the forward and the reverse reactions. you can also check out more blogs about 564-25-0. Recommanded Product: (4S,4aR,5S,5aR,6R,12aS)-4-(Dimethylamino)-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide.

Reference:
Isothiazole – Wikipedia,
,Isothiazole – ScienceDirect.com