Tag: M.W=150-200

Category: isothiazole. I found the field of Biochemistry & Molecular Biology; Chemistry very interesting. Saw the article Targeting EGFR tyrosine kinase: Synthesis, in vitro antitumor evaluation, and molecular modeling studies of benzothiazole-based derivatives published in 2020.0, Reprint Addresses Ghaly, MA (corresponding author), Mansoura Univ, Dept Med Chem, Fac Pharm, Mansoura 35516, Egypt.. The CAS is 93-02-7. Through research, I have a further understanding and discovery of 2,5-Dimethoxybenzaldehyde.

New benzothiazole-based derivatives were synthesized in the present work with the aim of evaluating their antitumor activity. They were in vitro tested against hepatocellular carcinoma (HepG2), colorectal carcinoma (HCT-116), mammary gland cancer (MCF-7), prostate cancer (PC-3), and epithelioid carcinoma (HeLa). The results of the in vitro antitumor evaluation revealed that the most active compounds were 39, 40, 51, 56, and 61 exhibiting IC50 values comparable to the reference drug lapatinib. The most active compounds were further subjected to EGFR inhibitory activity assay to rationalize their potency mode. Notably, the most active antitumor compounds 39 and 40 represented the most potent inhibitors to EGFR with IC50 values of 24.58 and 30.42 nM respectively in comparison with 17.38 nM for lapatinib as a standard drug. Molecular modeling studies were also conducted for the synthesized compounds, including docking into EGFR active site and surface mapping. Results proved the superior binding of the hydrazone derivatives 39 and 40 with EGFR suggesting them as good candidates for targeted antitumor therapy through EGFR kinase inhibition.

Category: isothiazole. Welcome to talk about 93-02-7, If you have any questions, you can contact Mokhtar, AM; El-Messery, SM; Ghaly, MA; Hassan, GS or send Email.

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

An article Design, synthesis, and insecticidal activities of novel 5-substituted 4,5-dihydropyrazolo[1,5-a]quinazoline derivatives WOS:000581806000001 published article about PYRIMIDINAMINE DERIVATIVES; LEAD OPTIMIZATION; DISCOVERY; SCAFFOLD; RESISTANCE; SAR in [Zhao, Chen; Xu, Hanhong] South China Agr Univ, Minist Educ, State Key Lab Conservat & Utilizat Subtrop Agrobi, Guangzhou 510642, Peoples R China; [Zhao, Chen; Xu, Hanhong] South China Agr Univ, Minist Educ, Key Lab Nat Pesticide & Chem Biol, Guangzhou 510642, Peoples R China in 2021, Cited 40. The Name is 2,6-Difluorobenzoic acid. Through research, I have a further understanding and discovery of 385-00-2. Safety of 2,6-Difluorobenzoic acid

BACKGROUND: Chemical pesticides are the main measures for pest control, but have caused growing resistance of pests and brought a series of environmental problems. Development of high-efficient insecticidal molecules with novel scaffolds is therefore particularly urgent. RESULTS: Based on a [5 + 1] annulation reaction with 5-amino-1H-phenylpyrazole and dialkyl bromomalonate, 27 novel five-substituted 4,5-dihydropyrazolo[1,5-a]quinazolines were designed following the intermediate derivatization method and synthesized. Bioassay results indicated that most of the test compounds displayed good insecticidal activities against Plutella xylostella, Spodoptera frugiperda, and Solenopsis invicta. In particular, the insecticidal activities of compounds 4a, 4f, and 4m against P. xylostella [median lethal concentration (LC50) values ranged from 3.87 to 5.10 mg L-1] were comparable to that of indoxacarb (LC50 = 4.82 mg L-1). In addition, compounds 4a and 9e showed similar high insecticidal activities against Spodoptera frugiperda (mortality rate = 79.63% and 72.12%) at 100 mg L-1, comparable to that of fipronil (mortality rate: 68.44%); compound 9a showed possible delayed toxicity against Solenopsis invicta (mortality rate: 95.66%) after 5 days of treatment at 1.0 mg L-1. CONCLUSION: Due to their high insecticidal activities against P. xylostella, compound 4m, 4a, and 4f could be considered as qualified candidates for novel insecticide. Several other 4,5-dihydropyrazolo[1,5-a]quinazolines with relatively high bioactivity, such as compounds 9a and 9e, are also worth further optimization as potential insecticide or anticide candidates.

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Reference:
Isothiazole – Wikipedia,
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I found the field of Chemistry; Crystallography very interesting. Saw the article Systematic investigation of hydrogen-bond propensities for informing co-crystal design and assembly published in 2019. Category: isothiazole, Reprint Addresses Aakeroy, CB (corresponding author), Kansas State Univ, Dept Chem, 213 CBC Bldg,1212 Mid Campus Dr North, Manhattan, KS 66506 USA.. The CAS is 385-00-2. Through research, I have a further understanding and discovery of 2,6-Difluorobenzoic acid

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.

Category: isothiazole. Welcome to talk about 385-00-2, If you have any questions, you can contact Sarkar, N; Sinha, AS; Aakeroy, CB or send Email.

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Isothiazole – Wikipedia,
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An article Synthesis of new alpha-aminophosphonates using nanoscale nickel-based metal-organic framework as a heterogeneous catalyst and their antibacterial activity WOS:000502091000001 published article about COORDINATION POLYMERS; ANTIOXIDANT; ACIDS in [Rasal, Sarika A.; Shimpi, Navinchandra G.] Univ Mumbai, Lab Mat Sci, Dept Chem, Mumbai 400098, Maharashtra, India; [Dhavan, Pratik P.; Jadhav, Bhaskar L.] Univ Mumbai, Dept Life Sci, Mumbai 400098, Maharashtra, India in 2020.0, Cited 38.0. 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

An elegant approach was presented for the synthesis of novel alpha-aminophosphonates: a three-component one-pot condensation of 3-(trifluoromethyl)aniline, substituted aromatic aldehydes, and diethyl phosphite using a nickel-based metal-organic framework (Ni-MOF). The Ni-MOF was synthesized using 4,4 ‘-biphenyldicarboxylic acid and further characterized using various techniques such as X-ray diffraction, Fourier-transform infrared, thermogravimetry/differential thermal analysis, Brunauer-Emmett-Teller, and field-emission scanning electron microscopy analyses. Ni-MOF seems to be an eco-friendly, an easily recyclable, and heterogeneous catalyst up to the eighth run with minimal reduction in its catalytic activity. The synthesized alpha-aminophosphonates were also investigated for antibacterial and antioxidant activities. In few cases, compounds 4a-4x show similar as well as higher antibacterial activity. Among the synthesized alpha-aminophosphonates, 4a-4x had more potent antibacterial activity against pathogenic bacteria while compounds 4h, 4m, 4n, 4q, 4u, 4v, and 4w exhibited significant antioxidant activity.

Welcome to talk about 93-02-7, If you have any questions, you can contact Rasal, SA; Dhavan, PP; Jadhav, BL; Shimpi, NG or send Email.. Application In Synthesis of 2,5-Dimethoxybenzaldehyde

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

An article Synthesis and Defect Characterization of Phase-Pure Zr-MOFs Based on Meso-tetracarboxyphenylporphyrin WOS:000465188700047 published article about METAL-ORGANIC-FRAMEWORK; ENERGY MIGRATION; UIO-66; MODULATOR; DESIGN; AREAS in [Morris, Amanda J.] Virginia Tech, Dept Chem, Blacksburg, VA 24061 USA; Virginia Tech, Macromol Innovat Inst, Blacksburg, VA 24061 USA in 2019, Cited 44. The Name is 2,6-Difluorobenzoic acid. Through research, I have a further understanding and discovery of 385-00-2. Recommanded Product: 2,6-Difluorobenzoic acid

The reaction of zirconium salts with meso-tetra(4-carboxyphenyl)porphyrin (TCPP) in the presence of different modulators results in the formation of a diverse set of metal-organic frameworks (MOFs), each displaying distinct crystalline topologies. However, the synthesis of phase-pure crystalline frameworks remains challenging due to the concurrent formation of different polymorphs. The acidity and concentration of the modulator greatly influence the outcome of the MOF synthesis. By systematically varying these two parameters, selective framework formation can be achieved. In the present study, we aimed to elucidate the effect of modulator on the synthesis of zirconium-based TCPP MOFs. With the help of powder X-ray diffraction and scanning electron microscopy, modulator candidates and the optimal synthetic conditions yielding phase-pure PCN-222, PCN-223, and MOF-525 were identified. H-1 nuclear magnetic resonance analysis, thermogravimetric analysis, and N-2 gas sorption measurements were performed on select MOFs to gain insight into the relationship between their defectivity and modulator properties.

About 2,6-Difluorobenzoic acid, If you have any questions, you can contact Shaikh, SM; Usov, PM; Zhu, J; Cai, M; Alatis, J; Morris, AJ or concate me.. Recommanded Product: 2,6-Difluorobenzoic acid

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

An article Synthesis and structural studies of 3,6-disubstituted-bis-1,2,4-triazolo-[4,3-b][3 ‘,4 ‘-f]pyridazines WOS:000462895000042 published article about EFFICIENT SYNTHESIS; MEDIATED SYNTHESIS; FACILE; TRIAZOLOPYRIDAZINES; PYRIDAZINES; ANTIFUNGAL; INHIBITOR; DESIGN; MET in [Aggarwal, Ranjana; Mamta] Kurukshetra Univ, Dept Chem, Kurukshetra 136119, Haryana, India; [Sumran, Garima] DAV Coll Lahore, Dept Chem, Ambala City 134002, Haryana, India; [Torralba, Mari Carmen] UCM, Fac Ciencias Quim, Dept Quim Inorgan, E-28040 Madrid, Spain in 2019.0, Cited 34.0. The Name is 2,5-Dimethoxybenzaldehyde. Through research, I have a further understanding and discovery of 93-02-7. Recommanded Product: 2,5-Dimethoxybenzaldehyde

Synthesis of a series of 3,6-disubstituted-bis-1,2,4-triazolo-[4,3-b][3′,4′-f]pyridazines (4) was accomplished by the oxidative intramolecular cyclization of 6-arylidenehydrazino-3-aryl-1,2,4-triazolo[4,3-b]pyridazine (3) using iodobenzene diacetate (IBD), as a green oxidant, in dichloromethane at room temperature. The compounds 3 and 4 were characterized by IR, NMR (H-1 and C-13), mass spectral data and elemental analyses. X-ray crystal analysis of sterically strained 3,6-di-(2′-fluorophenyl)-bis-1,2,4-triazolo-[4,3-b][3′,4′-f]pyridazine 4f and 3,6-di-(4′-fluorophenyl)-bis-1,2,4-triazolo-[4,3-b][3′,4′-f]pyridazine 4g indicated that pyridazine ring has twisted conformation leading to nonplanar tricyclic core. Both compounds crystallized in orthorhombic P2(1)2(1)2(1) space group, containing one single molecule per asymmetric unit. The studies reveal that the compound 4f is associated with weak, centrosymmetric F center dot center dot center dot F interactions (distance of 2.882(3) angstrom), with cis geometry, between adjacent molecules which are responsible for the formation of chains along a axis. Additionally, compounds 4 were screened for their cytotoxic activity against the human cervical carcinoma (HeLa) cell line using MTT assay, however, with not much significant activity. (C) 2019 Elsevier B.V. All rights reserved.

Welcome to talk about 93-02-7, If you have any questions, you can contact Aggarwal, R; Mamta; Sumran, G; Torralba, MC or send Email.. Recommanded Product: 2,5-Dimethoxybenzaldehyde

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

Authors Huang, PJ; Natori, Y; Kitagawa, Y; Sekine, Y; Kosaka, W; Miyasaka, H in ROYAL SOC CHEMISTRY published article about EFFECTIVE EXCHANGE INTEGRALS; MOLECULAR-STRUCTURE; ADDUCTS; CRYSTAL; BOND; COORDINATION; CARBOXYLATES; PYRIDINE in [Huang, Po-Jung; Sekine, Yoshihiro; Kosaka, Wataru; Miyasaka, Hitoshi] Tohoku Univ, Grad Sch Sci, Dept Chem, Aoba Ku, 6-3 Aramaki Aza Aoba, Sendai, Miyagi 9808578, Japan; [Natori, Yoshiki; Kitagawa, Yasutaka] Osaka Univ, Dept Mat Engn Sci, 1-3 Machikaneyama Chou, Toyonaka, Osaka 5600043, Japan; [Sekine, Yoshihiro; Kosaka, Wataru; Miyasaka, Hitoshi] Tohoku Univ, Inst Mat Res, Aoba Ku, 2-1-1 Katahira, Sendai, Miyagi 9808577, Japan in 2019, Cited 30. Application In Synthesis of 2,6-Difluorobenzoic acid. The Name is 2,6-Difluorobenzoic acid. Through research, I have a further understanding and discovery of 385-00-2

A series of substituted benzoate-bridged dichromium(II, II) complexes [Cr-2(RCO2)(4)(THF)(2)] ([Cr-2]), where RCO2- is substituted benzoate, was synthesized and its structural and magnetic properties were investigated. The orbital energies, as well as magnetic coupling energies, were also investigated using computational approaches. The HOMO/LUMO energy levels of the complexes are strongly dependent on the acidity, i.e., pK(a), of the corresponding benzoic acids (RCO2H), revealing a linear trend in the respective groups of non-ortho, mono-ortho, and bi-ortho substituted groups. The Cr center dot center dot center dot Cr magnetic coupling constant (E-S (T)) is little affected by pK(a); instead, the E-S (T) is associated with the HOMO/LUMO gap and strongly correlated with the Cr center dot center dot center dot Cr distance.

Application In Synthesis of 2,6-Difluorobenzoic acid. Welcome to talk about 385-00-2, If you have any questions, you can contact Huang, PJ; Natori, Y; Kitagawa, Y; Sekine, Y; Kosaka, W; Miyasaka, H or send Email.

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

Chan, CK; Lai, CY; Wang, CC in [Chan, Chieh-Kai; Lai, Chien-Yu; Wang, Cheng-Chung] Acad Sinica, Inst Chem, Taipei 115, Taiwan published TMSOTf-catalyzed synthesis of substituted quinazolines using hexamethyldisilazane as a nitrogen source under neat and microwave irradiation conditions in 2020.0, Cited 84.0. Recommanded Product: 93-02-7. The Name is 2,5-Dimethoxybenzaldehyde. Through research, I have a further understanding and discovery of 93-02-7.

In this article, we report an efficient and mild synthetic route for the construction of substituted quinazolines from functionalized 2-aminobenzophenones with various benzaldehydes usingcat. TMSOTf and hexamethyldisilazane (HMDS) under neat, metal-free and microwave irradiation conditions in which gaseous ammonia was formedin situ. This synthetic protocol provided the desired quinazolines with a broad substrate scope in good to excellent yields. Some structures were confirmed by X-ray single-crystal diffraction analysis.

Recommanded Product: 93-02-7. Bye, fridends, I hope you can learn more about C9H10O3, If you have any questions, you can browse other blog as well. See you lster.

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

Authors Sethiya, A; Sahiba, N; Soni, J; Agarwal, S in WILEY published article about in [Sethiya, Ayushi; Sahiba, Nusrat; Soni, Jay; Agarwal, Shikha] Mohanlal Sukhadia Univ, Dept Chem, Synthet Organ Chem Lab, Durga Nursery Rd, Udaipur 313001, Rajasthan, India in 2021.0, Cited 40.0. Name: 2,5-Dimethoxybenzaldehyde. The Name is 2,5-Dimethoxybenzaldehyde. Through research, I have a further understanding and discovery of 93-02-7

A series of substituted 5-chloro-2-arylbenzo[d]thiazoles were synthesized using 4-chloro-2-aminothiophenol and aromatic aldehydes in the presence of urea nitrate as a catalyst using the mechanochemical grindstone technique. This protocol was effectively carried out under metal-free conditions at room temperature, and the desired products were obtained in high to excellent yields in short reaction time (30-60 s). The structure of all the synthesized derivatives was confirmed by spectral characterization. The designed protocol has several benefits like eco-friendly, solvent-free, high yields, easy workup, and recyclability of catalyst. The catalyst was reusable at least four times without significant loss of activity. The good functional group tolerance with a series of derivatives has been demonstrated.

Welcome to talk about 93-02-7, If you have any questions, you can contact Sethiya, A; Sahiba, N; Soni, J; Agarwal, S or send Email.. Name: 2,5-Dimethoxybenzaldehyde

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Isothiazole – Wikipedia,
,Isothiazole – ScienceDirect.com

An article Knoevenagel-Friedel-Crafts-Hemiketalization Triple Cascade Reaction: A Diastereoselective Formal [1+2+3] Cyclization Towards Indenonaphthopyran Scaffolds WOS:000605655800007 published article about ORGANOCATALYTIC ENANTIOSELECTIVE SYNTHESIS; STEREOSELECTIVE-SYNTHESIS; CYCLOADDITION; CONSTRUCTION; STRATEGY; ACCESS in [Settipalli, Poorna Chandrasekhar; Reddy, Yeruva Pavankumar; Gudise, Veera Babu; Anwar, Shaik] Vignans Fdn Sci Technol & Res, Dept Sci & Humanities, Div Chem, Guntur 522213, Andhra Pradesh, India in 2021.0, Cited 70.0. The Name is 2,5-Dimethoxybenzaldehyde. Through research, I have a further understanding and discovery of 93-02-7. Safety of 2,5-Dimethoxybenzaldehyde

A simple and efficient cascade reaction via formal [1+2+3] cyclization of 1,3-indanedione, aldehyde and 2-naphthol is reported using K2CO3 as a base. The advantage includes metal-free conditions, varied substrate scope and shortened reaction duration with high diastereoselectivity (i. e., 99 : 1) resulting in the formation of two carbon-carbon as well as two carbon-oxygen bonds through Knoevenagel-Friedel-Crafts-Hemiketalization sequence resulting in three contiguous stereocenters.

Safety of 2,5-Dimethoxybenzaldehyde. Welcome to talk about 93-02-7, If you have any questions, you can contact Settipalli, PC; Reddy, YP; Gudise, VB; Anwar, S or send Email.

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