Tag: M.W:100-200

The three-dimensional configuration of the ester heterocycle is basically the same as that of the carbocycle. Compound: 2-Amino-6-methylpyrimidine-4-thiol(SMILESS: SC1=CC(C)=NC(N)=N1,cas:6307-44-4) is researched.SDS of cas: 17927-65-0. The article 《Inhibition studies of Pyrimidine class of compounds on Enoyl-ACP reductase enzyme》 in relation to this compound, is published in Journal of Computer Science & Systems Biology. Let’s take a look at the latest research on this compound (cas:6307-44-4).

Present work is aimed to identify and understand the inhibiting nature of Pyrimidine class of compounds to enoyl acyl carrier protein reductase (Enoyl-ACP reductase), which is one of the main receptor proteins used in drug discovery for screening anti-leprosy agents. Series of Pyrimidine based compounds are virtually designed using the mol. mechanic technique. The designed mols. were docked using with crystal structure of Enoyl-ACP reductase (PDB ID: 2NTV) using Autodock mol. docking software. The method uses rigid-protein and flexible ligand-techniques to acquire maximum conformations of ligand mols. The docking results were evaluated using the acquired binding energy values for each ligand-protein complex. Those mols. having higher neg. binding energy values with higher hydrogen bonds are selected for further anal. The selected mols. show better hydrophobic, electrostatic and steric interactions with receptor protein. It is reported that the presence of -CH2OH at R1 and -C6H5 at R2 and R3 positions enhance the neg. binding energy (ΔG kcal mol-1) values. Particularly -OC6H5 at R1 and -OH at R2 help in increasing the interactions between ligand and protein. The results show the mol. level interactions and inhibit the receptor protein.

The article 《Inhibition studies of Pyrimidine class of compounds on Enoyl-ACP reductase enzyme》 also mentions many details about this compound(6307-44-4)Formula: C5H7N3S, you can pay attention to it, because details determine success or failure

Reference:
Isothiazole – Wikipedia,
Isothiazole – ScienceDirect.com

In organic chemistry, atoms other than carbon and hydrogen are generally referred to as heteroatoms. The most common heteroatoms are nitrogen, oxygen and sulfur. Now I present to you an article called High-yield regioselective thiation of biologically important pyrimidinones, dihydropyrimidinones and their ribo, 2′-deoxyribo and 2′,3′-dideoxyribo nucleosides, published in 1993-02-28, which mentions a compound: 6307-44-4, mainly applied to pyrimidinone regioselective thiation Lawesson reagent; nucleoside pyrimidinone regioselective thiation Lawesson reagent, Reference of 2-Amino-6-methylpyrimidine-4-thiol.

Convenient and high-yield regioselective thiation procedures based on the use of the Lawesson reagent in different solvents, are described for conversion of the 2- and 4-keto, and 2,4-diketo pyrimidines to the corresponding 2(4)-thio, and 2,4-dithio, derivatives This method is applicable to thiation of the 4-keto groups of 5,6-dihydropyrimidinones and pyrimidine nucleosides. The mild reaction conditions employed are such that it is the method of choice for compounds with labile glycosidic bonds, of choice for compounds with labile glycosidic bonds, such as 5,6-dihydropyrimidine nucleosides and the 2′,3′-dideoxynucleosides currently of interest as antiretroviral, including anti-HIV, agents.

The article 《High-yield regioselective thiation of biologically important pyrimidinones, dihydropyrimidinones and their ribo, 2′-deoxyribo and 2′,3′-dideoxyribo nucleosides》 also mentions many details about this compound(6307-44-4)Reference of 2-Amino-6-methylpyrimidine-4-thiol, you can pay attention to it, because details determine success or failure

Reference:
Isothiazole – Wikipedia,
Isothiazole – ScienceDirect.com

The chemical properties of alicyclic heterocycles are similar to those of the corresponding chain compounds. Compound: 2-Amino-6-methylpyrimidine-4-thiol, is researched, Molecular C5H7N3S, CAS is 6307-44-4, about Synthesis and antibacterial activities of novel C(3)-aminopyrimidinyl substituted cephalosporins, the main research direction is cephalosporin aminopyrimidinylthio antibacterial antimicrobial preparation; beta lactam aminopyrimidinylthio preparation.Reference of 2-Amino-6-methylpyrimidine-4-thiol.

A new class of cephalosporins with C(3)-aminopyrimidinylthio substituents was prepared and found to exhibit well balanced activities against Gram-neg. and Gram-pos. bacteria. The MIC data on some of these new β-lactams, e.g., I and II, prove that this type of cephalosporin deserves further evaluation as new antibiotics against respiratory tract pathogens.

The article 《Synthesis and antibacterial activities of novel C(3)-aminopyrimidinyl substituted cephalosporins》 also mentions many details about this compound(6307-44-4)Reference of 2-Amino-6-methylpyrimidine-4-thiol, you can pay attention to it, because details determine success or failure

Reference:
Isothiazole – Wikipedia,
Isothiazole – ScienceDirect.com

The preparation of ester heterocycles mostly uses heteroatoms as nucleophilic sites, which are achieved by intramolecular substitution or addition reactions. Compound: 2-Amino-6-methylpyrimidine-4-thiol( cas:6307-44-4 ) is researched.Recommanded Product: 2-Amino-6-methylpyrimidine-4-thiol.Hurst, Derek T.; Beaumont, Claire; Jones, Derek T. E.; Kingsley, Deborah A.; Partridge, Julian D.; Rutherford, Trevor J. published the article 《The chemistry of pyrimidinethiols. II. The preparation and reactions of some 2-arenecarbonylmethylthiopyrimidines》 about this compound( cas:6307-44-4 ) in Australian Journal of Chemistry. Keywords: pyrimidinone phenacylthio; phenacylthiopyrimidinone. Let’s learn more about this compound (cas:6307-44-4).

2-Pyrimidinethiones were treated with phenacyl halides to give (phenacylthio)pyrimidines I (R1= Ph, tolyl, halophenyl, anisyl, dimethyoxyphenyl, O2NC6H4, biphenyl, Cl2C6H3, naphthyl; R2 = Me, H, Ph, Pr, NH2). Some I were heated in Ph2O to give phenacylidenepyrimidinones II (R3 = Ph, tolyl, halophenyl, anisyl, dimethyoxyphenyl, O2NC6H4, biphenylyl, naphthyl; R4 = Me, H, Pr).

The article 《The chemistry of pyrimidinethiols. II. The preparation and reactions of some 2-arenecarbonylmethylthiopyrimidines》 also mentions many details about this compound(6307-44-4)Recommanded Product: 2-Amino-6-methylpyrimidine-4-thiol, you can pay attention to it, because details determine success or failure

Reference:
Isothiazole – Wikipedia,
Isothiazole – ScienceDirect.com

Hurst, Derek T.; Beaumont, Claire; Jones, Derek T. E.; Kingsley, Deborah A.; Partridge, Julian D.; Rutherford, Trevor J. published an article about the compound: 2-Amino-6-methylpyrimidine-4-thiol( cas:6307-44-4,SMILESS:SC1=CC(C)=NC(N)=N1 ).Application In Synthesis of 2-Amino-6-methylpyrimidine-4-thiol. Aromatic heterocyclic compounds can be classified according to the number of heteroatoms or the size of the ring. The authors also want to convey more information about this compound (cas:6307-44-4) through the article.

2-Pyrimidinethiones were treated with phenacyl halides to give (phenacylthio)pyrimidines I (R1= Ph, tolyl, halophenyl, anisyl, dimethyoxyphenyl, O2NC6H4, biphenyl, Cl2C6H3, naphthyl; R2 = Me, H, Ph, Pr, NH2). Some I were heated in Ph2O to give phenacylidenepyrimidinones II (R3 = Ph, tolyl, halophenyl, anisyl, dimethyoxyphenyl, O2NC6H4, biphenylyl, naphthyl; R4 = Me, H, Pr).

The article 《The chemistry of pyrimidinethiols. II. The preparation and reactions of some 2-arenecarbonylmethylthiopyrimidines》 also mentions many details about this compound(6307-44-4)Application In Synthesis of 2-Amino-6-methylpyrimidine-4-thiol, you can pay attention to it, because details determine success or failure

Reference:
Isothiazole – Wikipedia,
Isothiazole – ScienceDirect.com

Most of the compounds have physiologically active properties, and their biological properties are often attributed to the heteroatoms contained in their molecules, and most of these heteroatoms also appear in cyclic structures. A Journal, Chem. & Pharm. Bull. (Tokyo) called Bromination of pyrimidines by N-bromosuccinimide, Author is Nishiwaki, Tarozaemon, which mentions a compound: 6307-44-4, SMILESS is SC1=CC(C)=NC(N)=N1, Molecular C5H7N3S, Safety of 2-Amino-6-methylpyrimidine-4-thiol.

cf. CA 54, 24777h. Pyrimidines having potentially tautomeric groups at the 2-, 4-, or 6-position were brominated preferentially at the 5-position by N-bromosuccinimide (I) in HOAc. Thus, 0.01 mole pyrimidine in 20 ml. HOAc was treated with 0.01 mole I 1 hr. at 100°. The precipitate was collected and crystallized to give N:CR1N:CR2.CBr:CR3 (R1, R2, R3, m.p., and % yield given): OH, OH, H, 295° 59; OH, OH, Me, 248°, 76; H, OH, OH, 264°, 61; NH2, OH, H, 275°, 83; NH2, OH, Me, 249°, 61; NH2, H, H, 239-40°, 62; NH2, Cl, Cl, 235-6°, 63; NH2, Me, Me, 183-4°, 75; NH2, Ph, Me, 125-8°, 70; Cl, Cl, NH2, 155-7°, 79; SMe, OH, H, 252°, 41; SMe, OH, Me, 246°, 21; SMe, OH, NH2, -, 60; SMe, Cl, NH2, 164-5°, 66; SEt, OH, H, 185-7.5°, 47. An ionic mechanism was postulated as yields were improved by addition of AlCl3, FeCl3, SnCl4, and picric acid and not reduced by radical inhibitors. The bromination by I of O- and S-alkylpyrimidines, 1,3,4-trimethyluracil, and 2,4-dichloro-6-methylpyrimidine by this method was not successful.

The article 《Bromination of pyrimidines by N-bromosuccinimide》 also mentions many details about this compound(6307-44-4)Safety of 2-Amino-6-methylpyrimidine-4-thiol, you can pay attention to it, because details determine success or failure

Reference:
Isothiazole – Wikipedia,
Isothiazole – ScienceDirect.com

Name: 2-(tert-Butyl)isothiazol-3(2H)-one 1,1-dioxide. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: 2-(tert-Butyl)isothiazol-3(2H)-one 1,1-dioxide, is researched, Molecular C7H11NO3S, CAS is 119639-24-6, about Benzothiazole benzimidazole (S)-isothiazolidinone derivatives as protein tyrosine phosphatase-1B inhibitors. Author is Sparks, Richard B.; Polam, Padmaja; Zhu, Wenyu; Crawley, Matthew L.; Takvorian, Amy; McLaughlin, Erin; Wei, Min; Ala, Paul J.; Gonneville, Lucie; Taylor, Nancy; Li, Yanlong; Wynn, Richard; Burn, Timothy C.; Liu, Phillip C. C.; Combs, Andrew P..

Benzothiazole benzimidazole (S)-isothiazolidinone ((S)-IZD) derivatives 5 were discovered through a peptidomimetic modification of the tripeptide (S)-IZD protein tyrosine phosphatase 1B (PTP1B) inhibitor 1. These derivatives are potent, competitive, and reversible inhibitors of PTP1B with improved caco-2 permeability. An X-ray co-crystal structure of inhibitor 5/PTP1B at 2.2 Å resolution demonstrated that the benzothiazole benzimidazole forms bi-dentate H-bonds to Asp48, and the benzothiazole interacts with the surface of the protein in a solvent exposed region towards the C-site. The design, synthesis, and SAR of this novel series of benzothiazole benzimidazole containing (S)-IZD inhibitors of PTP1B are presented herein.

After consulting a lot of data, we found that this compound(119639-24-6)Name: 2-(tert-Butyl)isothiazol-3(2H)-one 1,1-dioxide can be used in many types of reactions. And in most cases, this compound has more advantages.

Reference:
Isothiazole – Wikipedia,
Isothiazole – ScienceDirect.com

The chemical properties of alicyclic heterocycles are similar to those of the corresponding chain compounds. Compound: 2-(tert-Butyl)isothiazol-3(2H)-one 1,1-dioxide, is researched, Molecular C7H11NO3S, CAS is 119639-24-6, about [4+2] Cycloaddition of α,β-unsaturated hydrazones. 3. Isothiazolo[4,5-b]pyridin-3(2H)-one 1,1-dioxides (4-azasaccharin derivatives), the main research direction is unsaturated hydrazone cycloaddition isothiazolone dioxide; azabutadiene cycloaddition isothiazolone; solvent effect cycloaddition isothiazolone dioxide azabutadiene; isothiazolopyridinone dioxide; azasaccharin derivative.Recommanded Product: 119639-24-6.

The [4 + 2] cycloaddition of α,β-unsaturated hydrazones, Me2NN:CHCR:CHR1 (R = Me, Et, CHMe2, R1 = H; R = R1 = Me), (1-azabuta-1,3-dienes) with isothiazol-3(2H)-one 1,1-dioxide derivatives I (R2 = H, CMe3, Me3CCH2CMe2, 4-ClC6H4, PhCH2, 4-MeOC6H4CH2) affords, depending on the solvent used, picolinamides II or III, and 4-azasaccharin derivatives IV or V. The course of the reaction is mainly influenced by the substituent R2 of the dienophile I.

After consulting a lot of data, we found that this compound(119639-24-6)Recommanded Product: 119639-24-6 can be used in many types of reactions. And in most cases, this compound has more advantages.

Reference:
Isothiazole – Wikipedia,
Isothiazole – ScienceDirect.com

In organic chemistry, atoms other than carbon and hydrogen are generally referred to as heteroatoms. The most common heteroatoms are nitrogen, oxygen and sulfur. Now I present to you an article called Palladium-Catalyzed [3 + 2] Cycloaddition via Twofold 1,3-C(sp3)-H Activation, published in 2020-09-30, which mentions a compound: 119639-24-6, mainly applied to palladium catalyzed cycloaddition carbon hydrogen bond activation; amide lactam cycloaddition maleimide, COA of Formula: C7H11NO3S.

Cycloaddition reactions provide an expeditious route to construct ring systems in a highly convergent and stereoselective manner. For a typical cycloaddition reaction to occur, however, the installation of multiple reactive functional groups (π-bonds, leaving group, etc.) is required within the substrates, compromising the overall efficiency or scope of the cycloaddition reaction. Here, we report a palladium-catalyzed [3 + 2] reaction that utilizes twofold C(sp3)-H activation to generate the three-carbon unit for formal cycloaddition The initial β-C(sp3)-H activation of aliphatic amide, followed by maleimide insertion, triggers a relayed, second C(sp3)-H activation to complete a formal [3 + 2] cycloaddition The key to success was the use of weakly coordinating amide as the directing group, as previous studies have shown that Heck or alkylation pathways are preferred when stronger-coordinating directing groups are used with maleimide coupling partners [e.g., N,N-dimethylpivalamide + N-(4-nitrophenyl)maleimide → I (87%, dr 6:1)]. To promote the amide-directed C(sp3)-H activation step, the use of pyridine-3-sulfonic acid ligands is crucial. This method is compatible with a wide range of amide substrates, including lactams, which lead to spiro-bicyclic products. The [3 + 2] product is also shown to undergo a reductive desymmetrization process to access chiral cyclopentane bearing multiple stereocenters with excellent enantioselectivity.

Although many compounds look similar to this compound(119639-24-6)COA of Formula: C7H11NO3S, numerous studies have shown that this compound(SMILES:O=C(C=C1)N(C(C)(C)C)S1(=O)=O), has unique advantages. If you want to know more about similar compounds, you can read my other articles.

Reference:
Isothiazole – Wikipedia,
Isothiazole – ScienceDirect.com

Epoxy compounds usually have stronger nucleophilic ability, because the alkyl group on the oxygen atom makes the bond angle smaller, which makes the lone pair of electrons react more dissimilarly with the electron-deficient system. Compound: 2-Amino-6-methylpyrimidine-4-thiol, is researched, Molecular C5H7N3S, CAS is 6307-44-4, about Quantum Chemistry, NMR Spectroscopy, and Single-Crystal Diffractometry Methods in the Analysis of Protonation Pathways of 2-Amino-4-benzylsulfanyl-6-methylpyrimidines.Application In Synthesis of 2-Amino-6-methylpyrimidine-4-thiol.

Protonation pathways of 2-amino-4-benzylsulfanyl-6-methylpyrimidines have been investigated by means of semiempirical PM3 quantum-chem. simulation, 13C NMR spectroscopy, and single-crystal diffractometry methods. In the gas phase and in the bipolar aprotic solvent, the protonation involves the N1 atom. The protonation in the crystalline state is characterized by the formation of a branched system of H-bonds, involving the protons of the amino group besides the mentioned nitrogen atom.

Although many compounds look similar to this compound(6307-44-4)Application In Synthesis of 2-Amino-6-methylpyrimidine-4-thiol, numerous studies have shown that this compound(SMILES:SC1=CC(C)=NC(N)=N1), has unique advantages. If you want to know more about similar compounds, you can read my other articles.

Reference:
Isothiazole – Wikipedia,
Isothiazole – ScienceDirect.com