Tag: 100-200

Design, synthesis and preliminary biological evaluation of benzylsulfone coumarin derivatives as anti-cancer agents was written by Wang, Tao;Peng, Tao;Wen, Xiaoxue;Wang, Gang;Sun, Yunbo;Liu, Shuchen;Zhang, Shouguo;Wang, Lin. And the article was included in Molecules in 2019.Name: 1-(Chloromethyl)-3-methylbenzene This article mentions the following:

In this work, a series of benzylsulfone coumarin derivatives I (5a-5o) R¹ = 4-Me, 2-Br, 3-F, etc.; R² = H, NO₂, Br) were synthesized and characterized. Kinase inhibitory activity assay indicated that most of the compounds showed considerable activity against PI3K. Anti-tumor activity studies of the active compounds were also carried out in vitro on the Hela, HepG2, H1299, HCT-116, and MCF-7 tumor cell lines by MTS assay. The structure-activity relationships (SARs) of these compounds were analyzed in detail. Compound 5h (R¹ = 4-F, R² = NO₂) exhibited the most potent activities against the mentioned cell lines with IC₅₀ values ranging from 18.12 to 32.60μM, followed by 5m (R¹ = 4-F, R² = Br) with IC₅₀ values of 29.30-42.14μM. Furthermore, 5h and 5m clearly retarded the migration of Hela cells in vitro. Next, an in silico mol. docking study was conducted to evaluate the binding models of 5h and 5m towards PI3Kα and PI3Kβ. Collectively, the above findings suggested that compounds 5h and 5m might be promising PI3K inhibitors deserving further investigation for cancer treatment. In the experiment, the researchers used many compounds, for example, 1-(Chloromethyl)-3-methylbenzene (cas: 620-19-9Name: 1-(Chloromethyl)-3-methylbenzene).

1-(Chloromethyl)-3-methylbenzene (cas: 620-19-9) belongs to organic chlorides. Chlorination modifies the physical properties of hydrocarbons in several ways. These compounds are typically denser than water due to the higher atomic weight of chlorine versus hydrogen. Alkyl chlorides readily react with amines to give substituted amines. Alkyl chlorides are substituted by softer halides such as the iodide in the Finkelstein reaction.Name: 1-(Chloromethyl)-3-methylbenzene

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

5-Alkyl-6-benzyl-2-(2-oxo-2-phenylethylsulfanyl)pyrimidin-4(3H)-ones, a Series of Anti-HIV-1 Agents of the Dihydro-alkoxy-benzyl-oxopyrimidine Family with Peculiar Structure-Activity Relationship Profile was written by Nawrozkij, Maxim B.;Rotili, Dante;Tarantino, Domenico;Botta, Giorgia;Eremiychuk, Alexandre S.;Musmuca, Ira;Ragno, Rino;Samuele, Alberta;Zanoli, Samantha;Armand-Ugon, Mercedes;Clotet-Codina, Imma;Novakov, Ivan A.;Orlinson, Boris S.;Maga, Giovanni;Este, Jose A.;Artico, Marino;Mai, Antonello. And the article was included in Journal of Medicinal Chemistry in 2008.Quality Control of 2-Chloro-6-fluorophenylacetonitrile This article mentions the following:

A series of dihydro-alkylthio-benzyl-oxopyrimidines (S-DABOs) bearing a 2-aryl-2-oxoethylsulfanyl chain at pyrimidine C2, an alkyl group at C5, and a 2,6-dichloro-, 2-chloro-6-fluoro-, and 2,6-difluoro-benzyl substitution at C6 (oxophenethyl-S-DABOs, 6-8) is here described. The new compounds showed low micromolar to low nanomolar (in one case subnanomolar) inhibitory activity against wt HIV-1. Against clin. relevant HIV-1 mutants (K103N, Y181C, and Y188L) as well as in enzyme (wt and K103N, Y181I, and L100I mutated RTs) assays, compounds carrying an ethyl/iso-Pr group at C5 and a 2,6-dichloro-/2-chloro-6-fluoro-benzyl moiety at C6 were the most potent derivatives, also characterized by low fold resistance ratio. Interestingly, the structure-activity relationship (SAR) data drawn from this DABO series are more related to HEPT than to DABO derivatives These findings were at least in part rationalized by the description of a fair superimposition between the 6-8 and TNK-651 (a HEPT analog) binding modes in both WT and Y181C RTs. In the experiment, the researchers used many compounds, for example, 2-Chloro-6-fluorophenylacetonitrile (cas: 75279-55-9Quality Control of 2-Chloro-6-fluorophenylacetonitrile).

2-Chloro-6-fluorophenylacetonitrile (cas: 75279-55-9) belongs to organic chlorides. Organochlorines are organic compounds having multiple chlorine atoms. They were the first synthetic pesticides that were used in agriculture. They are resistant to most microbial and chemical degradations. Alkyl chlorides are versatile building blocks in organic chemistry. While alkyl bromides and iodides are more reactive, alkyl chlorides tend to be less expensive and more readily available.Quality Control of 2-Chloro-6-fluorophenylacetonitrile

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Nucleophilic Aromatic Substitution of Unactivated Aryl Fluorides with Primary Aliphatic Amines by Organic Photoredox Catalysis was written by Shi, Weimin;Zhang, Jingjie;Zhao, Fengqian;Wei, Wei;Liang, Fang;Zhang, Yin;Zhou, Shaolin. And the article was included in Chemistry – A European Journal in 2020.SDS of cas: 202925-07-3 This article mentions the following:

A mild and transition-metal-free approach for the nucleophilic aromatic substitution (S_NAr) of unactivated fluoroarenes with primary aliphatic amines to form aromatic amines was reported. This reaction is facilitated by the formation of cationic fluoroarene radical intermediates in the presence of an acridinium-based organic photocatalyst under blue-light irradiation Various electron-rich and electron-neutral fluoroarenes are competent electrophiles for this transformation. A wide range of primary aliphatic amines, including amino acid esters, dipeptides and linear and branched amines are suitable nucleophiles. The synthetic utility of this protocol is demonstrated by the late-stage functionalization of several complex drug mols. In the experiment, the researchers used many compounds, for example, 2-Chloro-1-fluoro-4-methoxybenzene (cas: 202925-07-3SDS of cas: 202925-07-3).

2-Chloro-1-fluoro-4-methoxybenzene (cas: 202925-07-3) belongs to organic chlorides. Organic chlorides can cause corrosion in pipelines, valves and condensers, and cause catalyst poisoning. The hydrocarbon processing industry (HPI) and others are affected by damage caused by these substances. Aryl chlorides may be prepared by the Friedel-Crafts halogenation, using chlorine and a Lewis acid catalyst.SDS of cas: 202925-07-3

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Light-promoted N,N-dimethylation of amine and nitro compound with methanol catalyzed by Pd/TiO₂ at room temperature was written by Zhang, Lina;Zhang, Yan;Deng, Youquan;Shi, Feng. And the article was included in RSC Advances in 2015.Quality Control of 2-Chloro-N,N-dimethylaniline This article mentions the following:

A series of TiO₂ supported nano-Pd catalysts (Pd/TiO₂) were prepared and used for the N,N-dimethylation of different amines and nitro compounds with methanol under UV irradiation at room temperature A wide range of N,N-di-Me amines were one-pot synthesized with up to 98% by applying aliphatic secondary amines, aromatic primary amines, aliphatic primary amines and aromatic nitro compounds as starting materials. It is noteworthy that up to 90% yield of 4-chloro-N,N-dimethylaniline was obtained by adjusting the Pd loadings on the TiO₂ and the dehalogenation reaction was inhibited. Finally, a reaction mechanism is discussed, involving PhN=CH₂ and PhNHCH₃ as reaction intermediates. In the experiment, the researchers used many compounds, for example, 2-Chloro-N,N-dimethylaniline (cas: 698-01-1Quality Control of 2-Chloro-N,N-dimethylaniline).

2-Chloro-N,N-dimethylaniline (cas: 698-01-1) belongs to organic chlorides. Organic chlorides are compounds containing a carbon-chlorine bond, which are widely used in the oil field as a wax dissolver. Alkyl chlorides are versatile building blocks in organic chemistry. While alkyl bromides and iodides are more reactive, alkyl chlorides tend to be less expensive and more readily available.Quality Control of 2-Chloro-N,N-dimethylaniline

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Effect of meta-substituents on aromatic nucleophilic substitution was written by Bevan, C. W. L.;Hirst, J.;Una, S. J.. And the article was included in Chemistry & Industry (London, United Kingdom) in 1966.Recommanded Product: 4815-64-9 This article mentions the following:

Displacement of F in 3,5-R(O₂N)C₆H₃F by OMe ions in MeOH varied by a factor of 10⁴ depending on the group R. The rate decreased as A varied in the order NO₂ > SO₂Me > CF₃ > Br > Cl > I > F > Ac > H > OMe > Me > CMe₃ > CO₂^– > NH₂. For PhF (no other substituent on the ring), the rate was 10^-4 which was the slowest of the meta-nitro-substituted series. All reactions were run at 100°. Despite an overall difference of 10⁸ in rates, the log B factor in the Arrhenius equation k = Be^-Ε/RT remained constant at approx. 12.5. The vast difference in rates was attributed to the changes in the activation energy. The reaction series was sensitive to electronic effects. Somewhat abnormal results, obtained where R was NH₂ or OMe, were attributed to 2nd-order effects in reactions especially sensitive to the charge d. on the C atoms ortho to that bonded to F. In the experiment, the researchers used many compounds, for example, 1-Chloro-3-fluoro-5-nitrobenzene (cas: 4815-64-9Recommanded Product: 4815-64-9).

1-Chloro-3-fluoro-5-nitrobenzene (cas: 4815-64-9) belongs to organic chlorides. Organochlorines are organic compounds having multiple chlorine atoms. They were the first synthetic pesticides that were used in agriculture. They are resistant to most microbial and chemical degradations. Alkanes and aryl alkanes may be chlorinated under free radical conditions, with UV light. However, the extent of chlorination is difficult to control.Recommanded Product: 4815-64-9

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Synthesis, XRD, Hirshfeld surface analysis, DFT studies, cytotoxicity and anticancer activity of di(m-chlorobenzyl) (dichloro) (4, 7-diphenyl-1,10-phenanthroline) tin (IV) complex was written by Bhaskar, C.;Elangovan, N.;Sowrirajan, S.;Chandrasekar, S.;Ali, Ola A. Abu;Mahmoud, Samy F.;Thomas, Renjith. And the article was included in Journal of Molecular Structure in 2022.Related Products of 620-19-9 This article mentions the following:

The complex di(m-chlorobenzyl) (dichloro) (4, 7-diphenyl-1,10-phenanthroline) tin (IV) complex (B2) was synthesized and characterized by FT-IR, FT-Raman, ¹H NMR, ¹³C NMR, ¹¹⁹Sn NMR, and XRD. The above-synthesized complex compared with the theor. method using Gaussian software at DFT/B3LYP/Lanl2DZ. Wavefunctiona based properties like ELF and LOL helped to identify the electron distributions. X-ray study confirmed that compound crystallizes in monoclinic space group with P2₁/c,. The crystal structure of the B2 shows a regular octahedral geometry. Hydrogen bond formation is observed through chlorine anion via C-H-Cl. The complex showed excellent cytotoxicity and anticancer activity against Vero and Hela cell line when compared to the standard drug cisplatin. In the experiment, the researchers used many compounds, for example, 1-(Chloromethyl)-3-methylbenzene (cas: 620-19-9Related Products of 620-19-9).

1-(Chloromethyl)-3-methylbenzene (cas: 620-19-9) belongs to organic chlorides. Organic chlorides can be used in production of: PVC, pesticides, chloromethane, teflon, insulators. Aryl chlorides may be prepared by the Friedel-Crafts halogenation, using chlorine and a Lewis acid catalyst.Related Products of 620-19-9

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Synthesis of derivatives of cyclobuteno[c]thiophene. Attempts to synthesize thiophene analogs of biphenylene was written by Ayres, B. E.;Longworth, S. W.;McOmie, J. F. W.. And the article was included in Tetrahedron in 1975.Reference of 36157-41-2 This article mentions the following:

The thiophenes I (R = R1 = I, CO2H, CH2OH, CH2Br, Me, CHBr2, CHO, CHCl2, CN, R2 = Cl) were prepared from I (R = R1 = H, R2 = Cl) by standard methods. I (R = R1 = CHO, R2 = Cl) reacted with PBr5 to give I (R = CHBr2, R1 = CHO, R2 = Cl; R = R1 = CHBr2, R2 = Cl, Br); the latter 2 compounds reacted with NaI to give the corresponding cis- and trans-dibromocyclobutathiophenes II. Reaction of trans-II (R2 = Cl) with N-bromosuccinimide resulted in bond fission and regeneration of I (R = R1 = CHBr2, R2 = Cl). I (R = R1 = I, R2 = Cl) reacted with BuLi and Me2SO4 to give I (R = R1 = Me, R2 = Cl) and the bis(thiophenindigo) III. In the experiment, the researchers used many compounds, for example, 2,5-Dichlorothiophene-3-carboxylic acid (cas: 36157-41-2Reference of 36157-41-2).

2,5-Dichlorothiophene-3-carboxylic acid (cas: 36157-41-2) belongs to organic chlorides. An organic chloride is an organic compound containing at least one covalently bonded atom of chlorine. Their wide structural variety and divergent chemical properties lead to a broad range of names and applications. Alkyl chlorides are versatile building blocks in organic chemistry. While alkyl bromides and iodides are more reactive, alkyl chlorides tend to be less expensive and more readily available.Reference of 36157-41-2

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Synthesis and biological evaluation of isatin derivatives containing 1,3,4-thiadiazole as potent a-glucosidase inhibitors was written by Zhao, Xuelian;Zhan, Xuehui;Zhang, Huilin;Wan, Yichao;Yang, Huizhong;Wang, Yutian;Chen, Yanda;Xie, Wenlin. And the article was included in Bioorganic & Medicinal Chemistry Letters in 2021.Electric Literature of C8H9Cl This article mentions the following:

A series of isatin derivatives containing 1,3,4-thiadiazole derivatives I [R = 2-F, 3-CN, 4-Cl, etc.] were designed and synthesized. All newly synthesized compounds I were evaluated for their α-glucosidase inhibitory activity with resveratrol as pos. control in-vitro. Except for compounds I [R = 2-CN, 3-CN], all of the compounds I showed a potent inhibitory activity against α-glucosidase with IC₅₀ values in the range of 3.12 ± 1.25 to 45.95 ± 1.26μM and the purity of these compounds were greater than 95%. The IC₅₀ values were being compared to the standard resveratrol (IC₅₀ = 22.00 ± 1.15μM) and it was found that compounds I [R = H, 2-F, 2-Cl, 3-Cl, 4-Cl, 2-Br] were found to be more active than resveratrol. Specifically,I [R = 4-Cl] exhibited the most potent α-glucosidase inhibitory activity with IC₅₀ value of 3.12 ± 1.25μM. The kinetic anal. revealed that compound I [R = 4-Cl] was noncompetitive inhibitor. Structure activity relationship was established for all compounds I. Furthermore, the binding interactions of compound I [R = 4-Cl] with the active site of α-glucosidase were confirmed through mol. docking. This study was identified a new class of potent α-glucosidase inhibitors for further investigation. In the experiment, the researchers used many compounds, for example, 1-(Chloromethyl)-3-methylbenzene (cas: 620-19-9Electric Literature of C8H9Cl).

1-(Chloromethyl)-3-methylbenzene (cas: 620-19-9) belongs to organic chlorides. Chlorinated organic compounds are found in nearly every class of biomolecules and natural products including alkaloids, terpenes, amino acids, flavonoids, steroids, and fatty acids.While alkyl bromides and iodides are more reactive, alkyl chlorides tend to be less expensive and more readily available. Alkyl chlorides readily undergo attack by nucleophiles.Electric Literature of C8H9Cl

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Synthesis and molecular modeling of MetAP2 of thiosemicarbazides, 1,2,4-triazoles, thioethers derived from (S)-Naproxen as possible breast cancer agents was written by Birgul, Kaan;Uba, Abdullah Ibrahim;Cuhadar, Ozan;Sevinc, Sevgi Kocyigit;Tiryaki, Selen;Tiber, Pinar Mega;Orun, Oya;Telci, Dilek;Yilmaz, Ozgur;Yelekci, Kemal;Guniz Kucukguzel, S.. And the article was included in Journal of Molecular Structure in 2022.Recommanded Product: 1-(Chloromethyl)-3-methylbenzene This article mentions the following:

New thiosemicarbazides, 1,2,4-triazoles and thioethers I (R¹ = Ph, 4-FC₆H₄, Bn, etc.; R² = Bn, 3-FC₆H₄CH₂, 4-MeOC₆H₄CH₂, etc.) from derived (S)-Naproxen were synthesized in this study. The mol. binding of the compounds on MetAP-2 was performed. Anticancer effects of the synthesized compounds were studied by using MTT assay method on MCF-7 (includes estrogen and progesterone receptors) and MDA-MB-231 (lacks estrogen and progesterone receptors) adenocarcinoma cell lines at 0, 10, 25, 50, 75 and 100μM concentrations for 24 h. The IC₅₀ values of novel (S)-Naproxen derivatives were determined between from 5 to 100μM on MCF-7 breast cancer cell line and MDA-MB-231 cell lines. The apoptotic activity of selected compounds I (R¹ = 4-ClC₆H₄; R² = 3-FC₆H₄CH₂) and I (R¹ = Ph; R² = 4-MeC₆H₄CH₂) were first analyzed by Annexin V staining using Tali Image-Based Cytometer. Mitochondrial membrane potential changes determined in fluorescence plate reader following JC-1 stain for compounds I (R¹ = 4-ClC₆H₄; R² = 3-FC₆H₄CH₂) and I (R¹ = Ph; R² = 4-MeC₆H₄CH₂) in MCF-7 and MDA-MB-231 cells. The effect of these compounds on the cell viability 4T1 mouse mammary tumor cell line was tested at 1 to 5 times of calculated IC₅₀ value (IC₅₀x1, IC₅₀x2, IC₅₀x3, IC₅₀x4, and IC₅₀x5). Next in order to determine the toxicity of the combination of compound I (R¹ = Bn; R² = 3-FC₆H₄CH₂) and Docetaxel, WST-1 cell viability and proliferation assay was performed with 4T1. In the experiment, the researchers used many compounds, for example, 1-(Chloromethyl)-3-methylbenzene (cas: 620-19-9Recommanded Product: 1-(Chloromethyl)-3-methylbenzene).

1-(Chloromethyl)-3-methylbenzene (cas: 620-19-9) belongs to organic chlorides. Organic chlorides can cause corrosion in pipelines, valves and condensers, and cause catalyst poisoning. The hydrocarbon processing industry (HPI) and others are affected by damage caused by these substances. Alkyl chlorides readily react with amines to give substituted amines. Alkyl chlorides are substituted by softer halides such as the iodide in the Finkelstein reaction.Recommanded Product: 1-(Chloromethyl)-3-methylbenzene

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Identification of Potent Ebola Virus Entry Inhibitors with Suitable Properties for in Vivo Studies was written by Liu, Hu;Tian, Ye;Lee, Kyungae;Krishnan, Pranav;Wang, May Kwang-Mei;Whelan, Sean;Mevers, Emily;Soloveva, Veronica;Dedic, Benjamin;Liu, Xinyong;Cunningham, James M.. And the article was included in Journal of Medicinal Chemistry in 2018.Recommanded Product: 165047-23-4 This article mentions the following:

Previous studies identified an adamantane dipeptide piperazine 3.47 that inhibits Ebola virus (EBOV) infection by targeting the essential receptor Niemann-Pick C1 (NPC1). The physicochem. properties of 3.47 limit its potential for testing in vivo. Optimization by improving potency, reducing hydrophobicity, and replacing labile moieties identified 3.47 derivatives with improved in vitro ADME properties that are also highly active against EBOV infection, including when tested in the presence of 50% normal human serum (NHS). In addition, 3A4 was identified as the major cytochrome P 450 isoform that metabolizes these compounds, and accordingly, mouse microsome stability was significantly improved when tested in the presence of the CYP3A4 inhibitor ritonavir that is approved for clin. use as a booster of anti-HIV drugs. Oral administration of the EBOV inhibitors with ritonavir resulted in a pharmacokinetic profile that supports a b.i.d. dosing regimen for efficacy studies in mice. In the experiment, the researchers used many compounds, for example, 2-Chloro-4,5-difluorobenzaldehyde (cas: 165047-23-4Recommanded Product: 165047-23-4).

2-Chloro-4,5-difluorobenzaldehyde (cas: 165047-23-4) belongs to organic chlorides. Chlorination modifies the physical properties of hydrocarbons in several ways. These compounds are typically denser than water due to the higher atomic weight of chlorine versus hydrogen. Alkyl chlorides readily react with amines to give substituted amines. Alkyl chlorides are substituted by softer halides such as the iodide in the Finkelstein reaction.Recommanded Product: 165047-23-4

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics