Day: October 27, 2021

An article Methoxychalcones: Effect of Methoxyl Group on the Antifungal Antibacterial and Antiproliferative Activities WOS:000589443500004 published article about CHALCONE DERIVATIVES; BIOLOGICAL-ACTIVITIES; MOLECULAR-PROPERTIES; LICOCHALCONE; PREDICTION; DISCOVERY; GROWTH; SERIES; AGENTS in [Marques, Beatriz C.; Santos, Mariana B.; Anselmo, Daiane B.; Regasini, Luis O.] Sao Paulo State Univ Unesp, Inst Biosci Humanities & Exact Sci, Dept Chem & Environm Sci, BR-15054000 Sao Jose Do Rio Preto, SP, Brazil; [Monteiro, Diego A.; Gomes, Eleni; Saiki, Marilia F. C.; Rahal, Paula] Sao Paulo State Univ Unesp, Inst Biosci Humanities & Exact Sci, Dept Biol, BR-15054000 Sao Jose Do Rio Preto, SP, Brazil; [Rosalen, Pedro L.; Sardi, Janaina C. O.] Univ Campinas Unicamp, Piracicaba Dent Sch, Dept Physiol Sci, BR-13083970 Piracicaba, SP, Brazil in 2020.0, Cited 43.0. The Name is 2,5-Dimethoxybenzaldehyde. Through research, I have a further understanding and discovery of 93-02-7. Application In Synthesis of 2,5-Dimethoxybenzaldehyde

Background: Chalcones substituted by methoxyl groups have presented a broad spectrum of bioactivities, including antifungal, antibacterial and antiproliferative effects. However, a clear and unambiguous investigation about the relevance of this substituent on the chalcone framework has not been described. Objective: The purpose of this work is to assess the antibacterial, antifungal and antiproliferative activities of the two series of seventeen synthesized regioisomeric methoxychalcones. Series I and II were constituted by cbalcones substituted by methoxyl groups on rings A (5-12) and B (13-21), respectively. In addition, the library of methoxychalcones was submitted to in silico drug-likeness and pharmacokinetics properties predictions. Methods: Methoxychalcones were synthesized and their structures were confirmed by NMR spectral data analyses. Evaluations of antimicrobial activity were performed against five species of Candida, two Gram-negative and five Gram-positive species. For antiproliferative activity, methoxychalcones were evaluated against four human tumorigenic cell lines, as well as human non-tumorigenic keratinocytes. Drug-likeness and pharmacokinetics properties were predicted using Molinspiration and PreADMET toolkits. Results: In general, chalcones of series I are the most potent antifungal, antibacterial and antiproliferative agents. 3′, 4′, 5′-Trimethoxychalcone (12) demonstrated potent antifungal activity against Candida krusei (MIC = 3.9 mu g/mL), eight times more potent than fluconazole (reference antifungal drug). 3′-Methoxychalcone (6) displayed anti-Pseudomonas activity (MIC = 7.8 mu g/mL). 2′,5′-Dimethoxychalcone (9) displayed potent antiproliferative effect against C-33A (cervix), A-431 (skin) and MCF-7 (breast), with IC50 values ranging from 7.7 to 9.2 mu M. Its potency was superior to curcumin (reference antiproliferative compound), which exhibited IC50 values ranging from 10.4 to 19.0 mu M. Conclusion: Our studies corroborated the relevance of methoxychalcones as antifungal, antibacterial and antiproliferative agents. In addition, we elucidated influence of the position and number of methoxyl groups toward bioactivity. In silico predictions indicated good drug-likeness and pharmacokinetics properties to the library of methoxychalcones.

About 2,5-Dimethoxybenzaldehyde, If you have any questions, you can contact Marques, BC; Santos, MB; Anselmo, DB; Monteiro, DA; Gomes, E; Saiki, MFC; Rahal, P; Rosalen, PL; Sardi, JCO; Regasini, LO or concate me.. Application In Synthesis of 2,5-Dimethoxybenzaldehyde

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

An article Three closely related 1-[(1,3-benzodioxol-5-yl)-methyl]-4-(halobenzoyl)pinerazines: similar molecular structures but different intermolecular interactions WOS:000457717300021 published article about HYDROGEN-BOND PATTERNS; GRAPH-SET ANALYSIS; ABSOLUTE-STRUCTURE; PHENYLPHOSPHONIC ACID; 4,4′-SULFONYLDIPHENOL; 4,4′-THIODIPHENOL; PIRIBEDIL; ADDUCTS in [Mahesha, Ninganayaka; Sagar, Belakavadi K.; Yathirajan, Hemmige S.] Univ Mysore, Dept Studies Chem, Mysuru 570006, India; [Furuya, Tetsundo; Haraguchi, Tomoyuki; Akitsu, Takashiro] Tokyo Univ Sci, Fac Sci, Dept Chem, Shinjuku Ku, 1-3 Kagurazaka, Tokyo 1628601, Japan; [Glidewell, Christopher] Univ St Andrews, Sch Chem, St Andrews KY16 9ST, Fife, Scotland in 2019, Cited 27. The Name is 2,6-Difluorobenzoic acid. Through research, I have a further understanding and discovery of 385-00-2. Recommanded Product: 385-00-2

In each of the compounds 1-[(1,3-benzodioxol-5-yl)methyl]-4-(3-fluorobenzoyl)piperazine, C19H19 FN2O3 (I), 1-[(1,3-benzodioxol-5-yl)methyl]-4-(2,6-difluorobenzoyl)piperazine, C19H18F2N2O3 (II), and 1-[(1,3-benzodioxol-5-yl)methyl]-4-(2,4-dichlorobenzoyl)piperazine, C19H19Cl2N2O3 (III), the piperazine rings adopt a chair conformation with the (1,3-benzodioxol-5-yl)methyl substituent occupying an equatorial site: the five-membered rings are all slightly folded across the O center dot center dot center dot O line leading to envelope conformations. The dihedral angle between the planar amidic fragment and the haloaryl ring is 62.97 (5)degrees in (I) but 77.72 (12)degrees and 75.50 (5)degrees in (II) and (III), respectively. Despite their similarity in constitution and conformation, the supramolecular interactions in (I)-(III) differ: in (I), a combination of C-H center dot center dot center dot O and C-H center dot center dot center dot pi(arene) hydrogen bonds links the molecules into a three-dimensional framework structure, but there are no hydrogen bonds of any sort in either (II) or (III), although the structure of (III) contains a short Cl center dot center dot center dot Cl contact between inversion-related pairs of molecules.

Recommanded Product: 385-00-2. About 2,6-Difluorobenzoic acid, If you have any questions, you can contact Mahesha, N; Sagar, BK; Yathirajan, HS; Furuya, T; Haraguchi, T; Akitsu, T; Glidewell, C or concate me.

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

Authors Chen, JK; Jin, LC; Zhou, J; Jiang, XP; Yu, CM in PERGAMON-ELSEVIER SCIENCE LTD published article about EFFICIENT SYNTHESIS; BOND FUNCTIONALIZATIONS; ACTIVATION; INDOLES; DERIVATIVES; ANNULATION; INSERTION; ISONITRILES; BENZAMIDES; CYANATION in [Chen, Jinkang; Yu, Chuanming] Zhejiang Univ Technol, Collaborat Innovat Ctr Yangtze River Delta Reg Gr, Hangzhou 310014, Zhejiang, Peoples R China; [Jin, Licheng; Zhou, Jian; Jiang, Xinpeng; Yu, Chuanming] Zhejiang Univ Technol, Coll Pharmaceut Sci, Hangzhou 310014, Zhejiang, Peoples R China in 2019.0, Cited 55.0. Quality Control of 3-Methylbenzoic acid. The Name is 3-Methylbenzoic acid. Through research, I have a further understanding and discovery of 99-04-7

An efficient synthesis of functionalized iminoisoindolinone derivatives has been achieved via a mild electrochemical oxidative C-H/N-H functionalizationfintramolecular annulations with isocyanides in undivided cell equipped with a nickel cathode. In the presence of earth abundant cobalt catalyst, versatile iminoisoindolinone derivatives obtained in good yields and in a sustainable manner by using electricity as an oxidant in place of stoichiometric amount of silver and copper salts. (C) 2019 Elsevier Ltd. All rights reserved.

Quality Control of 3-Methylbenzoic acid. About 3-Methylbenzoic acid, If you have any questions, you can contact Chen, JK; Jin, LC; Zhou, J; Jiang, XP; Yu, CM or concate me.

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

An article Systematic investigation of hydrogen-bond propensities for informing co-crystal design and assembly WOS:000498811300007 published article about CAMBRIDGE STRUCTURAL DATABASE; PHARMACEUTICAL COCRYSTALS; INTERMOLECULAR INTERACTIONS; SOLUBILITY in [Sarkar, Nandini; Sinha, Abhijeet S.; Aakeroy, Christer B.] Kansas State Univ, Dept Chem, 213 CBC Bldg,1212 Mid Campus Dr North, Manhattan, KS 66506 USA in 2019, Cited 45. The Name is 2,6-Difluorobenzoic acid. Through research, I have a further understanding and discovery of 385-00-2. HPLC of Formula: C7H4F2O2

Co-crystallizations can be utilized for generating new solid forms of a target substance in order to alter or enhance some specific bulk physical property. Generally, selection of the co-former (the necessary partner for the target molecule) is based on existing structural information about molecular recognition events involving complementary functional groups, and extensive experimental screening methods. In this study, we utilize structure-informatics in an attempt to predict if two different molecules will form a co-crystal or not. Our study is based on hydrogen-bond propensity (HBP), and the key premise of our approach rests on whether target-co-former interactions are more likely to take place than either target-target or co-formerco-former hydrogen bonds. We examined six different target molecules in combination with 25 possible co-formers each and used the HBP protocol for predicting if a co-crystal would form or not. The predictions were then compared with results from an experimental co-crystal screen of the 150 different combinations. The correct outcome was successfully predicted 92-95% of the time which shows that for this series of small molecules, HBP is a very reliable indicator for determining if a co-crystal will form between a target molecule and a particular co-former.

HPLC of Formula: C7H4F2O2. About 2,6-Difluorobenzoic acid, If you have any questions, you can contact Sarkar, N; Sinha, AS; Aakeroy, CB or concate me.

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

Formula: C8H10O2. I found the field of Chemistry very interesting. Saw the article delta-Cyano substituted para-quinone methides enable access to unsymmetric tri- and tetraarylmethanes containing all-carbon quaternary stereocenters published in 2020, Reprint Addresses Li, W (corresponding author), Shandong Univ Tradit Chinese Med, Sch Pharm, Dept Pharmaceut Anal, Jinan 250355, Peoples R China.; Sun, ST; Liu, L (corresponding author), Shandong Univ, Sch Chem & Chem Engn, Jinan 250100, Peoples R China.. The CAS is 151-10-0. Through research, I have a further understanding and discovery of 1,3-Dimethoxybenzene.

para-Quinone methides bearing an electron-withdrawing cyano group at the exocyclic methylene delta-position were identified as valuable 1,6-conjugate addition building blocks for acyclic all-carbon quaternary stereocenter construction. A wide variety of electron-rich arenes as nucleophiles were tolerated, effectively furnishing diverse unsymmetrical triarylmethanes bearing all-carbon quaternary stereocenters. The robust transformable abilities of the cyano group provide a platform to access other valuable functional group-containing unsymmetrical tri- and tetraarylmethanes that are otherwise difficult to be prepared. Computational studies supported the hypothesis that the cyano group at the delta-position tunes the molecular electron-density distribution, and the stability of para-quinone methides is enhanced by lowering their polymerizability.

Formula: C8H10O2. About 1,3-Dimethoxybenzene, If you have any questions, you can contact Qi, Y; Zhang, F; Wang, L; Feng, AL; Zhu, RX; Sun, ST; Li, W; Liu, L or concate me.

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

Name: 1,3-Dimethoxybenzene. In 2020 ENVIRON SCI POLLUT R published article about QSAR MODELS; APPLICABILITY DOMAIN; EXTERNAL VALIDATION; HYDROXYL RADICALS; PULSE-RADIOLYSIS; AQUEOUS-PHASE; CENTER-DOT; DEGRADATION; OXIDATION; MICROPOLLUTANTS in [Shi, Yajuan; Yan, Fangyou; Wang, Qiang] Tianjin Univ Sci & Technol, Sch Chem Engn & Mat Sci, TEDA, 13St 29, Tianjin 300457, Peoples R China; [Jia, Qingzhu] Tianjin Univ Sci & Technol, Sch Marine & Environm Sci, TEDA, 13St 29, Tianjin 300457, Peoples R China in 2020, Cited 57. The Name is 1,3-Dimethoxybenzene. Through research, I have a further understanding and discovery of 151-10-0.

The degradation of organic contaminants in aquatic systems has raised immense attention worldwide, and the second-order rate constant (k(SO4)(-)) of water pollutants oxidized by sulfate radical anion is an important index for assessing the degradation efficiency of organics. Herein, a new norm mathematical formula is defined. Based on this, four new descriptors are proposed and a QSPR model is developed for predicting k(SO4)(-) using 30 families of emerging organic pollutants in water. The statistical results fully prove that this model has good fitting effect and stability with R-2 of 0.8862, Q(LOO)(2) of 0.8466, and Q(5-fold)(2) of 0.8329, respectively. The validation results including cross validation, applicability domain analysis, and model comparison show that this model has good robustness, predictive performance, and reliability. These decent results indicate that the new norm mathematical formula is effective in calculating descriptors and the norm indexes have a great application for evaluating the transformation fate of organic pollutants by sulfate radical in aquatic systems.

About 1,3-Dimethoxybenzene, If you have any questions, you can contact Shi, YJ; Yan, FY; Jia, QZ; Wang, Q or concate me.. Name: 1,3-Dimethoxybenzene

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

An article Exploring the Labile Nature of 2,4,6-Trimethoxyphenyl Moiety in Allylic Systems under Acidic Conditions WOS:000553408700001 published article about C BOND-CLEAVAGE; ELECTRON-RICH ARENES; AROMATIC HYDROGEN-EXCHANGE; LEAVING GROUP; H ALLYLATION; ACTIVATION; EFFICIENT; CATALYST; SUBSTITUTION; PROTONATION in [Paul, Dipankar; Chatterjee, Paresh Nath] Natl Inst Technol Meghalaya, Dept Chem, Bijni Complex, Shillong 793003, Meghalaya, India in 2020, Cited 50. SDS of cas: 151-10-0. The Name is 1,3-Dimethoxybenzene. Through research, I have a further understanding and discovery of 151-10-0

An investigation of the unexpected lability of the Csp(3)-Csp(2)bond connecting 2,4,6-trimethoxyphenyl group and an allylic moiety is carried out. We observed that the catalytic presence of either Lewis or Bronsted acid can render such 2,4,6-trimethoxyphenyl group labile. Several nucleophiles were found to substitute the labile C-C bond in mild reaction conditions resulting in very good yields of the allylated products. Even in the absence of a nucleophile, intramolecular cyclization of the parent substrate under acidic activation caused the labile C-C bond to cleave. A major motivation of this study is to understand the lability of electron-rich aryl group in acidic medium, employing 2,4,6-trimethoxyphenyl moiety as a case study. A plausible mechanism is proposed after carrying out several control reactions as well as UV/Vis and(1)H NMR spectroscopic studies. This work provides an insight into the activation of electron-rich arenes as a labile entity in acidic medium while also adding a conceptually novel C-C bond breaking approach to the vast literature of allylation of arenes.

SDS of cas: 151-10-0. About 1,3-Dimethoxybenzene, If you have any questions, you can contact Paul, D; Chatterjee, PN or concate me.

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

Authors Kim, JY; Lee, YS; Choi, Y; Ryu, D in AMER CHEMICAL SOC published article about SYNERGISTIC CATALYSIS; CONJUGATE ADDITION; ELECTRON-TRANSFER; LEWIS-ACID; ALCOHOLS; KETONES; PHOTOCATALYSIS; EQUIVALENTS; DERIVATIVES; ACTIVATION in [Kim, Jae Yeon; Lee, Yea Suel; Choi, Yuna; Ryu, Do Hyun] Sungkyunkwan Univ, Dept Chem, Suwon 16419, South Korea in 2020, Cited 77. Application In Synthesis of Benzoic anhydride. The Name is Benzoic anhydride. Through research, I have a further understanding and discovery of 93-97-0

Enantioselective 1,2-addition reaction of alpha-aminoalkyl radical to alpha,beta-unsaturated or aromatic aldehydes to synthesize highly optically active beta-amino alcohols has been developed. In the presence of chiral oxazaborolidinium ion catalyst and photosensitizer, the reaction provides desired beta-amino allylic or benzylic alcohols with high yields (up to 99%) and high enantioselectivities (up to 98% ee).

Application In Synthesis of Benzoic anhydride. About Benzoic anhydride, If you have any questions, you can contact Kim, JY; Lee, YS; Choi, Y; Ryu, D or concate me.

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

Category: isothiazole. Hajra, S; Maity, S; Roy, S; Maity, R; Samanta, S in [Hajra, Saumen; Maity, Subrata; Roy, Sayan; Maity, Ramkrishna; Samanta, Srikrishna] Sanjay Gandhi Postgrad Inst, Ctr Biomed Res, Med Sci Campus,Raebareli Rd, Lucknow 226014, Uttar Pradesh, India; [Maity, Subrata] Indian Inst Technol Kharagpur, Dept Chem, Kharagpur 721302, W Bengal, India published Bronsted Acid Promoted Regioselective C-3 Arylation and Heteroarylation of Spiro-epoxyoxindoles for the Construction of All Carbon Quaternary Centres: A Detailed Study in 2019, Cited 81. The Name is 1,3-Dimethoxybenzene. Through research, I have a further understanding and discovery of 151-10-0.

An efficient strategy for the synthesis of all carbon quaternary centres has been developed via Bronsted acid-promoted highly regioselective intermolecular Friedel-Crafts reactions of heteroarenes or arenes with spiro-epoxyoxindoles. In addition, we have successfully performed the ring opening reaction in relatively cheap condition using water as a solvent. Beneficially, we have utilized the methodology as the key step for the synthesis of advanced precursors of various natural and unnatural indole alkaloids.

Category: isothiazole. About 1,3-Dimethoxybenzene, If you have any questions, you can contact Hajra, S; Maity, S; Roy, S; Maity, R; Samanta, S or concate me.

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

I found the field of Chemistry very interesting. Saw the article Synthesis, photophysical, electrochemical properties and crystal structures and Hirschfeld surface analysis of 4 ‘-dimethoxyphenyl-(2,6-di-2-pyrazinyl) pyridines published in 2020.0. HPLC of Formula: C9H10O3, Reprint Addresses Kumar, PR (corresponding author), Tumkur Univ, Univ Coll Sci, Dept Studies & Res Chem, Tumakuru 572103, Karnataka, India.. The CAS is 93-02-7. Through research, I have a further understanding and discovery of 2,5-Dimethoxybenzaldehyde

Four new 4′-dimethoxyphenyl-(2,6-di-2-pyrazinyl) pyridines (1-4) were synthesised by a facile one-pot method using 2-acetylpyrazine and n,n’-dimethoxybanzaldehydes. All compounds (1-4) were characterised by H-1 and C-13{H-1} NMR, and FT-IR spectroscopy. The molecular structure of compounds 1, 2, and 3 was also confirmed by single crystal X-ray diffraction. There exists CH center dot center dot center dot N, CH center dot center dot center dot O and C center dot center dot center dot C aromatic stacking type of intermolecular secondary interactions which resulted into supramolecular structures in compounds 1-3. The Hirshfeld surface analysis was carried out for the confirmation of intermolecular secondary interactions. The dihedral angles between substituted dimethoxyphenyl ring (B) and central pyridine (A) and pyrazine rings (C and D) are in the range of 33-45 degrees. The photophysical properties were studied by UV-Visible and fluorescence spectroscopy and electrochemical properties by cyclic voltammetry. In the UV-Visible spectra, the compounds, 1-4 showed two strong bands at lambda(max), 236-238 and 284-293 nm attributed to the intramolecular charge transfer (pi-pi*) transitions. When these compounds were excited at 350 nm observed emission bands at lambda(em), 463, 511, 462, and 407 nm respectively. The compounds, 1-3 were showed an oxidation peak, (E-OX, 1.18, 1.57 and 1.25 V) but compound 4 showed two oxidation peaks (E-OX, 1.20 and 1.84 V). Astonishingly, only compound, 3 have shown a reduction peak at (E-red, 1.33 V) but there was no reduction peak in 1, 2 and 4. This shows that the compound, 3 undergo reversible redox reaction. (C) 2019 Elsevier B.V. All rights reserved.

HPLC of Formula: C9H10O3. About 2,5-Dimethoxybenzaldehyde, If you have any questions, you can contact Golla, R; Kumar, PR; Suchethan, PA; Foro, S; Nagaraju, G or concate me.

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