Tag: M.W=150-200

I found the field of Crystallography very interesting. Saw the article Three closely related 1-[(1,3-benzodioxol-5-yl)-methyl]-4-(halobenzoyl)pinerazines: similar molecular structures but different intermolecular interactions published in 2019. Category: isothiazole, Reprint Addresses Yathirajan, HS (corresponding author), Univ Mysore, Dept Studies Chem, Mysuru 570006, India.. The CAS is 385-00-2. Through research, I have a further understanding and discovery of 2,6-Difluorobenzoic acid

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.

Category: isothiazole. 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

Liang, XL; Radosevich, M; Loffler, F; Schaeffer, SM; Zhuang, J in [Liang, Xiaolong; Radosevich, Mark; Loffler, Frank; Schaeffer, Sean M.; Zhuang, Jie] Univ Tennessee, Dept Biosyst Engn & Soil Sci, Knoxville, TN 37996 USA; [Loffler, Frank] Univ Tennessee, Dept Microbiol, Dept Civil & Environm Engn, Ctr Environm Biotechnol, Knoxville, TN 37996 USA; [Loffler, Frank] Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN 37831 USA published Impact of microbial iron oxide reduction on the transport of diffusible tracers and non-diffusible nanoparticles in soils in 2019, Cited 60. Recommanded Product: 2,6-Difluorobenzoic acid. The Name is 2,6-Difluorobenzoic acid. Through research, I have a further understanding and discovery of 385-00-2.

In subsurface bioremediation, electron donor addition promotes microbial Fe(lII)-oxide mineral reduction that could change soil pore structure, release colloids, and alter soil surface properties. These processes in turn may impact bioremediation rates and the ultimate fate of contaminants. Columns packed with water-stable, Fe-oxide-rich soil aggregates were infused with acetate-containing artificial groundwater and operated for 20 d or 60 d inside an anoxic chamber. Soluble Fe(II) and soil colloids were detected in the effluent within one week after initiation of the acetate addition, demonstrating Fe(III)-bioreduction and colloid formation. Diffusible Br-, less diffusible 2,6-difluorobenzoate (DFBA), and non-diffusible silica-shelled silver nanoparticles (SSSNP) were used as tracers in transport experiments before and after the bioreduction. The transport of Br- was not influenced by the bioreduction. DFBA showed earlier breakthrough and less tailing after the bioreduction, suggesting alterations in flow paths and soil surface chemistry during the 20-d bioreduction treatment. Similarly, the bioreduction increased the transport of SSSNP very significantly, with mass recovery increasing from 1.7% to 25.1%. Unexpectedly, the SSSNP was completely retained in the columns when the acetate injection was extended from 20 to 60 d, while the mass recovery of DFBA decreased from 89.1% to 84.1% and Br showed no change. The large change in the transport of SSSNP was attributed to soil aggregate breakdown and colloid release (causing mechanical straining of SSSNP) and the exposure of iron oxide surfaces previously unavailable within aggregate interiors (facilitating attachment of SSSNP). These results suggest a time dependent fashion of microbial effect on the transport of diffusivity-varying tracers. (C) 2018 Elsevier Ltd. All rights reserved.

About 2,6-Difluorobenzoic acid, If you have any questions, you can contact Liang, XL; Radosevich, M; Loffler, F; Schaeffer, SM; Zhuang, J or concate me.. Recommanded Product: 2,6-Difluorobenzoic acid

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

Application In Synthesis of 2,5-Dimethoxybenzaldehyde. In 2019.0 CELLULOSE published article about LIGNOCELLULOSE FRACTIONATION; ENZYMATIC-HYDROLYSIS; PYROLYSIS; BIOMASS; CHEMICALS; DEPOLYMERIZATION; PRETREATMENT; VALORIZATION; BETA-O-4; PLATFORM in [Lyu, Gaojin; Wu, Qin; Li, Tengfei; Jiang, Weikun; Ji, Xingxiang; Yang, Guihua] Qilu Univ Technol, Shandong Acad Sci, State Key Lab Biobased Mat & Green Papermaking, Jinan 250353, Shandong, Peoples R China in 2019.0, Cited 42.0. The Name is 2,5-Dimethoxybenzaldehyde. Through research, I have a further understanding and discovery of 93-02-7.

In the present examination, the thermochemical behavior of the lignin extracted from willow (Salix matsudana cv. Zhuliu) by deep eutectic solvents (DES) treatment (DES-lignin) with varied times were investigated with the techniques of thermogravimetric analyzer, in situ diffuse reflectance infrared pyrolysis (in situ-FTIR), and pyrolysis-gas chromatography/mass spectrometry. The results showed that thermal degradation of DES-lignin mainly occurred at 185-470 degrees C with two maximum weight loss peaks at 265 degrees C and 380 degrees C respectively, and the solid residue was 40% when terminated at 800 degrees C. The identified cluster of aromatics from in situ-FTIR was detected earlier and stronger than those of small molecular gases, suggesting cleavage of lignin intermolecular linkages dominated the initial pyrolysis process. The DES-lignin was sensitive to pyrolysis to produce aromatics. The total phenols yield from DES-lignin pyrolysis reached a maxima of 95.1% at 450 degrees C, among which phenol and guaiacol accounted for the largest proportion, i.e. 20.8% and 24.2% respectively. In addition, product distribution was remarkably affected by pyrolysis temperature and the DES treatment time used for lignin isolation.

About 2,5-Dimethoxybenzaldehyde, If you have any questions, you can contact Lyu, GJ; Wu, Q; Li, TF; Jiang, WK; Ji, XX; Yang, GH or concate me.. Application In Synthesis of 2,5-Dimethoxybenzaldehyde

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

Recently I am researching about HETEROGENEOUS CATALYST; HIGHLY EFFICIENT; CARBON NANOTUBES; QUINAZOLINONES; FACILE; NITRO, Saw an article supported by the Research Council of Payame Noor University. Published in MAIK NAUKA/INTERPERIODICA/SPRINGER in NEW YORK ,Authors: Fallah-Mehrjardi, M; Kalantari, S. The CAS is 93-02-7. Through research, I have a further understanding and discovery of 2,5-Dimethoxybenzaldehyde. Name: 2,5-Dimethoxybenzaldehyde

In the present study, an efficient and magnetically recoverable Bronsted acid ionic liquid, 1-methyl-3-[3-(triethoxysilyl)propyl]-1H-imidazol-3-ium hydrogen sulfate, immobilized on the surface of Fe3O4@SiO2 magnetic nanoparticles (Fe3O4@SiO2-ImHSO(4)) has been used for a high-yield synthesis of 2,3-dihydroquinazolin-4(1H)-ones through the condensation of anthranilamide with aldehydes and ketones in EtOH at room temperature or under reflux. The significant features of the present protocol are short reaction times, high yields of products, ecofriendly reaction conditions, simple work-up, and reusability of the catalyst. The catalyst can be simply magnetically recovered and reused at least five times without considerable loss of its catalytic activity.

About 2,5-Dimethoxybenzaldehyde, If you have any questions, you can contact Fallah-Mehrjardi, M; Kalantari, S or concate me.. Name: 2,5-Dimethoxybenzaldehyde

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

SDS of cas: 93-02-7. In 2019.0 BIOORG CHEM published article about RAPID COLORIMETRIC ASSAY; BIOLOGICAL EVALUATION; DISCOVERY; IDENTIFICATION; MECHANISM; SURVIVAL; TARGETS; FAMILY; GROWTH in [Metwally, Nadia Hanafy; Mohamed, Mona Said; Ragb, Eman Ali] Cairo Univ, Fac Sci, Dept Chem, Giza, Egypt in 2019.0, Cited 40.0. The Name is 2,5-Dimethoxybenzaldehyde. Through research, I have a further understanding and discovery of 93-02-7.

A novel series of pyrazolo[1,5-a]pyrimidines were synthesized and proved by their spectral and elemental analysis, some elected of the newly synthesized compounds were examined for their cytotoxic activity employing MTT assay on two cancer cell lines (Breast and Hela cancers). Compounds 5, 7e and 7i showed the higher cytotoxicity against two cancer cell lines with (IC50 = 13.91 +/- 1.4 and 22.37 +/- 1.8 mu M/L), (IC50 = 6.56 +/- 0.5 and 8.72 +/- 0.9 mu M/L) and (IC50 = 4.17 +/- 0.2 and 5.57 +/- 0.4 mu M/L) for two cancer cell lines breast and hela respectively, using doxorubicin as a reference drug. The most potent cytotoxic active compounds 5, 7e and 7i presented inhibitory activity against KDM (histone lysine demethylases) with IC50 = 4.05, 1.91 and 2.31 mu M, respectively. The most potent KDM inhibitor 7e (IC50 = 1.91 mu M) showed to cause cell cycle arrest at G2/M phase by 4 folds than control and induce total apoptotic effect by 10 folds more than control. In silico studies performed on the more potent cytotoxic active compounds 5, 7e and 7i included lipinisk’s rule of five. Moreover, molecular docking study was utilized to explore the binding mode of the most active compounds to the target enzyme (PDB-ID: 5IVE). Also, some bioinformatics studies were carried out for compounds 7e and 7i using Swiss ADME (Swiss Institute of bioinformatics 2018).

SDS of cas: 93-02-7. About 2,5-Dimethoxybenzaldehyde, If you have any questions, you can contact Metwally, NH; Mohamed, MS; Ragb, EA or concate me.

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

An article Quinoxaline-PABA bipartite hybrid derivatization approach: Design and search for antimicrobial agents WOS:000461047100065 published article about ENTEROTOXIGENIC ESCHERICHIA-COLI; DERIVATIVES; ANTICANCER in [Patel, Harun M.; Sharma, Poonam; Lohan, Sandeep; Bansal, Sumit] RC Patel Inst Pharmaceut Educ & Res, Dept Pharmaceut Chem, Dhule 425405, Maharashtra, India; [Bhardwaj, Varun] Jaypee Univ Informat Technol, Dept Biotechnol Bioinformat & Pharm, Solan 173234, Himachal Prades, India; [Noolvi, Malleshappa N.] Shree Dhanvantary Pharm Coll, Dept Pharmaceut Chem, Surat 394110, Gujarat, India; [Sharma, Amit] Postgrad Inst Med Educ & Res PGIMER, Sch Publ Hlth, Chandigarh 160012, India in 2019.0, Cited 30.0. Application In Synthesis of 2,5-Dimethoxybenzaldehyde. The Name is 2,5-Dimethoxybenzaldehyde. Through research, I have a further understanding and discovery of 93-02-7

In an attempt to find a new class of antimicrobial agents, in the present study we report the synthesis of bipartite hybrid styryl derivatives of quinoxaline containing para-aminobenzoic acid (PABA) and their biological evaluation as antimicrobial agents. The series of new substituted styryl based derivatives 5(a-k) were evaluated for antimicrobial potential against various bacteria including Staphylococcus aureus, Vibrio cholerae, Escherichia coli, Bacillus subtilis, Escherichia coli, Mycobacterium smegmatis, Pseudomonas aeruginosa and fungi; C. albicans, with ampicillin and amphotericin B as standards. Similarly these compounds were also screened for anti-cancer activity using MCF-7 cell line. Among the synthesized compounds, 5(c) was observed to be the most active compound against various strains with MIC in a range of 7.9-31 mu M of the series and compound 5i came out with significant anti-cancer activity with IC50 value of 7 mu M. (C) 2019 Elsevier B.V. All rights reserved.

Application In Synthesis of 2,5-Dimethoxybenzaldehyde. About 2,5-Dimethoxybenzaldehyde, If you have any questions, you can contact Patel, HM; Bhardwaj, V; Sharma, P; Noolvi, MN; Lohan, S; Bansal, S; Sharma, A or concate me.

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

Product Details of 385-00-2. In 2019 CRYSTENGCOMM 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.

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.

About 2,6-Difluorobenzoic acid, If you have any questions, you can contact Sarkar, N; Sinha, AS; Aakeroy, CB or concate me.. Product Details of 385-00-2

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

Application In Synthesis of 2,5-Dimethoxybenzaldehyde. In 2020 J CHEM SCI published article about ANTIPROLIFERATIVE ACTIVITY in [Huynh, Thi-Kim-Chi; Nguyen, Thanh-Danh; Hoang, Thi-Kim-Dung] VAST, Inst Chem Technol, 01 Mac Dinh Chi Str,Dist 1, Ho Chi Minh City, Vietnam; [Huynh, Thi-Kim-Chi; Hoang, Thi-Kim-Dung] VAST, Grad Univ Sci & Technol, 18 Hoang Quoc Viet Str, Hanoi, Vietnam; [Nguyen, Thi-Hong-An] Ton Duc Thang Univ, 19 Nguyen Huu Tho Str,Dist 7, Ho Chi Minh City, Vietnam; [Tran, Ngoc-Hoang-Son] Ho Chi Minh City Univ Technol, 268 Ly Thuong Kiet Str,Dist 10, Ho Chi Minh City, Vietnam in 2020, Cited 20. The Name is 2,5-Dimethoxybenzaldehyde. Through research, I have a further understanding and discovery of 93-02-7.

This study reports a simple process to synthesize and separate of 2-(substituted-phenyl) benzimidazole derivatives with high yield and efficiency. Specifically, by reacting ortho-phenylenediamines with benzaldehydes using sodium metabisulphite as an oxidation agent in a mixture of solvent under mild condition, twenty-three compounds of benzimidazoles were obtained and separated easily using hexane and water to wash, respectively. The structure of all obtained compounds was identified by FTIR, NMR and HRMS. The SAR analysis of synthesized benzimidazoles on human lung (A549), breast (MDA-MB-231) and prostate (PC3) cancer cell lines showed that the presence of methyl group at 5(6)-position on benzimidazole scaffold was a contributing factor influencing the anticancer activity. The presence of electron-donating groups (OH, OMe, -NMe2, -O-CH2-C6H5) also caused significant increase of anticancer activity, while the presence of electron-withdrawing groups (-NO2, -CF3) on the phenyl group at 2-position of benzimidazole ring decreased the ability of inhibition of synthesized benzimidazoles. The compounds 2f and 2g displayed the significant anticancer activity on both A549 and PC3 cell lines.

About 2,5-Dimethoxybenzaldehyde, If you have any questions, you can contact Huynh, TKC; Nguyen, THA; Tran, NHS; Nguyen, TD; Hoang, TKD or concate me.. Application In Synthesis of 2,5-Dimethoxybenzaldehyde

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

An article Antimalarial, antiproliferative, and apoptotic activity of quinoline-chalcone and quinoline-pyrazoline hybrids. A dual action WOS:000489305700020 published article about BETA-HEMATIN FORMATION; IN-VITRO; POTENTIAL ANTIMALARIAL; MOLECULAR-MECHANISM; HEMOZOIN FORMATION; MALARIA; ANTICANCER; QUERCETIN; DERIVATIVES; INHIBITION in [Charris, Jaime E.; Monasterios, Melina C.; Acosta, Maria E.; Rodriguez, Miguel A.; Gamboa, Neira D.] Cent Univ Venezuela, Fac Pharm, Biochem Unit, Organ Synth Lab, Los Chaguaramos 1041-A, Caracas 47206, Venezuela; [Martinez, Gricelis P.; Mijares, Michael R.] Cent Univ Venezuela, Fac Pharm, Biotechnol Unit, Los Chaguaramos 1041-A, Caracas 47206, Venezuela; [Rojas, Hector R.; Mijares, Michael R.; De Sanctis, Juan B.] Cent Univ Venezuela, Fac Med, Inst Immunol, Los Chaguaramos 1050-A, Caracas 50109, Venezuela; [De Sanctis, Juan B.] Palacky Univ, Fac Med, Inst Mol & Translat Med, Hnevotinska 1333-5, Olomouc 77900, Czech Republic in 2019, Cited 62. The Name is 2,5-Dimethoxybenzaldehyde. Through research, I have a further understanding and discovery of 93-02-7. Quality Control of 2,5-Dimethoxybenzaldehyde

A series of quinoline-chalcone (E)-1-[3 or 4-(7-chloroquinolin-4-ylamino) phenyl]-3-(phenyl substituted) prop-2-ene-1-one (4, 5), and quinoline-pyrazoline hybrids 7-Chloro-N-[3 or 4-(4,5-dihydro-5-(phenyl-substituted)-1H-pyrazol-3-yl] phenyl) quinoline-4-amine (6, 7) were synthesized with the aim of achieving an antimalarial and anticancer dual action. Most of the compounds showed significant inhibition (%>80) of beta-hematin formation. The existing structures were tested in vivo as potential antimalarials in mice infected with P. berghei ANKA, chloroquine susceptible strain. Some of the compounds exhibited antimalarial activity comparable to that of chloroquine. Moreover, the compounds induce cell death on two human cancer cell lines (Jurkat E6.1 and HL60) without affecting the primary culture of human lymphocytes. Flow cytometry analysis confirmed the increase in apoptotic cell death after 24 h. Based on the structural analysis, these quinoline hybrids represent new compounds potentially useful for malaria end leukemia treatments.

About 2,5-Dimethoxybenzaldehyde, If you have any questions, you can contact Charris, JE; Monasterios, MC; Acosta, ME; Rodriguez, MA; Gamboa, ND; Martinez, GP; Rojas, HR; Mijares, MR; De Sanctis, JB or concate me.. Quality Control of 2,5-Dimethoxybenzaldehyde

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

Formula: C9H10O3. Shalini; Pankaj; Saha, ST; Kaur, M; Oluwakemi, E; Awolade, P; Singh, P; Kumar, V in [Shalini; Pankaj; Kumar, Vipan] Guru Nanak Dev Univ, Dept Chem, Amritsar 143005, Punjab, India; [Saha, Sourav Taru; Kaur, Mandeep] Univ Witwatersrand, Sch Mol & Cell Biol, Private Bag 3, ZA-2050 Johannesburg, South Africa; [Oluwakemi, Ebenezer; Awolade, Paul; Singh, Parvesh] Univ Kwazulu Natal, Sch Chem & Phys, P Bag X54001, ZA-4000 Durban, South Africa published Synthesis and in vitro anti-proliferative evaluation of naphthalimide-chalcone/pyrazoline conjugates as potential SERMs with computational validation in 2020.0, Cited 39.0. The Name is 2,5-Dimethoxybenzaldehyde. Through research, I have a further understanding and discovery of 93-02-7.

A series of naphthalimide-chalcone/pyrazoline conjugates was prepared and evaluated for their anti-breast cancer potential against estrogen responsive, i.e. MCF-7 (ER+), and triple-negative, i.e. MDA-MB-231 (ER-), cell lines. The structure-activity-relationship (SAR) was deduced based on the influence of linker length, substituents on the phenyl ring and the generated functionalities, on anti-proliferative activities. Docking simulations further delineate the type of interactions of the designed molecules with the selected targets. This report discloses the scope of triazole tethered naphthalimide-chalcone/pyrazoline conjugates as anti breast cancer agents.

Formula: C9H10O3. About 2,5-Dimethoxybenzaldehyde, If you have any questions, you can contact Shalini; Pankaj; Saha, ST; Kaur, M; Oluwakemi, E; Awolade, P; Singh, P; Kumar, V or concate me.

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