Tag: M.W=150-200

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

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

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

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

Recommanded Product: 2,5-Dimethoxybenzaldehyde. I found the field of Chemistry very interesting. Saw the article Effect of Conjugation Mode on Intramolecular Charge Transfer in Fabricating Acid-Responsive Fluorophores published in 2019.0, Reprint Addresses Zhang, YR (corresponding author), Northwest A&F Univ, Coll Chem & Pharm, Yangling 712100, Shaanxi, Peoples R China.. The CAS is 93-02-7. Through research, I have a further understanding and discovery of 2,5-Dimethoxybenzaldehyde.

Solid-state acid-responsive materials are promising for the tunability of their intrinsic properties. However, the relationship between molecular structure and emission shift as a response to acid stimuli has not been systematically studied. Herein, we report the effect of protonation and subsequent intramolecular hydrogen bonding on the photophysical properties of compounds (MPP-s, MPP-d, and MPP-d-CN) with different conjugation modes between the electron-donating dimethoxyl phenyl and the electron-withdrawing benzothiazole ring. The results established that the stronger the intramolecular charge transfer feature of the compound, the smaller is the emission shift after acid stimuli. Our studies also indicated that the conjugation mode significantly affected the solid-state packing mode: MPP-s and MPP-d tended to form dimers, while MPP-d-CN exhibited the strongest aggregation-induced emission enhancement (AIEE). The exploration of structure-property relationship would provide experimental and theoretical guidance in designing acid-responsive molecular switches and developing high-performance AIEE-active luminogens.

Recommanded Product: 2,5-Dimethoxybenzaldehyde. About 2,5-Dimethoxybenzaldehyde, If you have any questions, you can contact Wang, R; Ding, J; Wang, YX; Zhang, YR or concate me.

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

Recently I am researching about HYBRID MOLECULES; NATURAL-PRODUCTS; DIHYDRONAPHTHALENES; CYCLOADDITIONS; ADDUCTS; SCOPE; MODE, Saw an article supported by the Australian Research CouncilAustralian Research Council [DP160104322]. Recommanded Product: 93-02-7. Published in AMER CHEMICAL SOC in WASHINGTON ,Authors: George, J; Ward, JS; Sherburn, MS. The CAS is 93-02-7. Through research, I have a further understanding and discovery of 2,5-Dimethoxybenzaldehyde

Diene-transmissive Diels-Alder (DTDA) sequences are extraordinarily powerful processes for the generation of fused bicyclic systems. Nonetheless, only stable dienophiles have previously been deployed. Herein we report DTDA sequences with a variety of substituted [3]dendralenes in the first study to deploy arynes as dienophiles. We demonstrate the one-flask generation of complex, aromatic-ring-containing, multicyclic systems of relevance to medicinal chemistry. These synthetic operations provide numerous successful examples of the otherwise challenging and rarely reported intermolecular Diels-Alder reaction of acyclic 1,3-butadienes with arynes, which is made possible due to the exalted reactivity of dendralenic dienes.

Recommanded Product: 93-02-7. About 2,5-Dimethoxybenzaldehyde, If you have any questions, you can contact George, J; Ward, JS; Sherburn, MS or concate me.

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

In 2020.0 RES CHEM INTERMEDIAT published article about HIGHLY EFFICIENT; ALPHA,BETA-UNSATURATED ESTERS; MICHAEL ADDITION; IONIC-LIQUID; ONE-POT; FACILE; CARBON; GREEN; PERFORMANCE; DERIVATIVES in [Zare, Abdolkarim; Ghobadpoor, Aysoda; Safdari, Tayebeh] Payame Noor Univ, Dept Chem, POB 19395-3697, Tehran, Iran 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. HPLC of Formula: C9H10O3

In this research, firstly, preparation and characterization of a novel dicationic molten salt, namely N,N,N,N ‘-tetramethylethylenediaminium bisulfate ([TMEDA][HSO4](2)), by H-1 NMR, C-13 NMR, FT-IR, mass, thermogravimetry, derivative thermogravimetry and differential thermal analysis data have been reported. Thereafter, utilization of [TMEDA][HSO4](2) as a recyclable catalyst for the solvent-free synthesis of bis(6-amino-1,3-dimethyluracil-5-yl)methanes via the reaction of 6-amino-1,3-dimethyluracil (2 eq.) and arylaldehydes (1 eq.) has been described. [GRAPHICS] .

HPLC of Formula: C9H10O3. About 2,5-Dimethoxybenzaldehyde, If you have any questions, you can contact Zare, A; Ghobadpoor, A; Safdari, T or concate me.

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

Recommanded Product: 93-02-7. Huynh, TKC; Nguyen, THA; Nguyen, TCT; Hoang, TKD in [Thi-Kim-Chi Huynh; Thi-Hong-An Nguyen; Thi-Cam-Thu Nguyen; Thi-Kim-Dung Hoang] Inst Chem Technol VAST, 01 Mac Dinh Chi Str,Dist 1, Ho Chi Minh City, Vietnam; [Thi-Kim-Chi Huynh; Thi-Kim-Dung Hoang] Grad Univ Sci & Technol VAST, 18 Hoang Quoc Viet Str, Hanoi, Vietnam; [Thi-Cam-Thu Nguyen] Ton Duc Thang Univ, 19 Nguyen Huu Tho Str,Dist 7, Ho Chi Minh City, Vietnam published Synthesis and insight into the structure-activity relationships of 2-phenylbenzimidazoles as prospective anticancer agents in 2020.0, Cited 36.0. The Name is 2,5-Dimethoxybenzaldehyde. Through research, I have a further understanding and discovery of 93-02-7.

In order to explore and develop new anticancer agents, three series of 2-phenylbenzimidazoles, 15-46, were condensed under simple and mild conditions using sodium metabisulfite as an oxidation agent and another series, 47-55, were obtained via a reduction reaction using sodium borohydride. All the compounds synthesized were evaluated for their in vitro anticancer activities against three human cancer cell lines. The novel compound 38 was found to be the most potent multi cancer inhibitor against A549, MDA-MB-231, and PC3 cell lines (IC50 values 4.47, 4.68 and 5.50 mu g mL(-1), respectively). In addition, compound 40 exhibited the best IC50 value of 3.55 mu g mL(-1) against the MDA-MB-231 cell line. The results demonstrated that introducing a new substituent to compounds 37-55 could improve their antiproliferative activities.

Recommanded Product: 93-02-7. About 2,5-Dimethoxybenzaldehyde, If you have any questions, you can contact Huynh, TKC; Nguyen, THA; Nguyen, TCT; Hoang, TKD or concate me.

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

An article Synthesis of novel 8-nitro-substituted 1,3-benzothiazin-4-ones WOS:000557884000007 published article about AGENTS in [Nosova, Emiliya, V; Batanova, Olga A.; Lipunova, Galina N.; Charushin, Valery N.] Ural Fed Univ, Inst Chem Engn, Ekaterinburg 620002, Russia; [Nosova, Emiliya, V; Lipunova, Galina N.; Charushin, Valery N.] Russian Acad Sci, I Ya Postovsky Inst Organ Synth, Ural Branch, Ekaterinburg 620990, Russia in 2020, Cited 11. Recommanded Product: 385-00-2. The Name is 2,6-Difluorobenzoic acid. Through research, I have a further understanding and discovery of 385-00-2

New 2,5-bis(azacyclohex-1-yl)-8-nitro-1,3-benzothiazin-4-ones were synthesized from 2,6-difluorobenzoic acid in two preparative stages. The ethoxycarbonylpiperazino derivative surpasses in tuberculostatic activity (MIC 4 mu g ml(-1)) its 5-fluoro-8-H-counterpart. The first representative of 5-fluoro-8-nitro-1,3-benzothiazin-4-ones was obtained through the condensation of 2,6-difluoro-3-nitrobenzoyl isothiocyanate and N-methylindole.

Recommanded Product: 385-00-2. About 2,6-Difluorobenzoic acid, If you have any questions, you can contact Nosova, EV; Batanova, OA; Lipunova, GN; Charushin, VN or concate me.

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

Quality Control of 2,5-Dimethoxybenzaldehyde. I found the field of Pharmacology & Pharmacy; Chemistry very interesting. Saw the article 2,4,5-Tris(alkoxyaryl)imidazoline derivatives as potent scaffold for novel p53-MDM2 interaction inhibitors: Design, synthesis, and biological evaluation published in 2019.0, Reprint Addresses Lozinskaya, NA; Kopeina, GS (corresponding author), Moscow MV Lomonosov State Univ, Moscow 119992, Russia.. The CAS is 93-02-7. Through research, I have a further understanding and discovery of 2,5-Dimethoxybenzaldehyde.

Imidazoline-based small molecule inhibitors of p53-MDM2 interaction intended for the treatment of p53 wild-type tumors are the promising structures for design of anticancer drugs. Based on fragment approach we have investigated a key role of substituents in cis-imidazoline core for biological activity of nutlin family compounds. Although the necessity of the substituents in the phenyl rings of cis-imidazoline has been shown, there are no studies in which the replacements of a halogen by other substituents have been investigated. A series of simple cis-imidazoline derivatives containing halogen, hydroxy and alkoxy-substituents were synthesized. The biological activity of the compounds was studied using assays of cytotoxicity (MTT) and p53 level. It was found that the hydroxyl-derivatives were not cytotoxic whereas the alkoxy analogues were the same or more active as halogen-substituted compounds in cell viability test. The synthesized alkoxy derivatives induced an increase of p53 level and did not promote necrotic cell death in the concentration up to 40 mu M.

Quality Control of 2,5-Dimethoxybenzaldehyde. About 2,5-Dimethoxybenzaldehyde, If you have any questions, you can contact Bazanov, DR; Pervushin, NV; Savitskaya, VY; Anikina, LV; Proskurnina, MV; Lozinskaya, NA; Kopeina, GS or concate me.

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