Tag: 100-200

Identification and initial evaluation of 4-N-aryl-[1,4]diazepane ureas as potent CXCR3 antagonists was written by Cole, Andrew G.;Stroke, Ilana L.;Brescia, Marc-Raleigh;Simhadri, Srilatha;Zhang, Joan J.;Hussain, Zahid;Snider, Michael;Haskell, Christopher;Ribeiro, Sofia;Appell, Kenneth C.;Henderson, Ian;Webb, Maria L.. And the article was included in Bioorganic & Medicinal Chemistry Letters in 2006.HPLC of Formula: 1711-11-1 This article mentions the following:

The identification and evaluation of aryl-[1,4]diazepane ureas as functional antagonists of the chemokine receptor CXCR3 are described. Specific examples exhibit IC₅₀ values of ∼60 nM in a calcium mobilization functional assay, and dose-dependently inhibit CXCR3 functional response to CXCL11 (interferon-inducible T-cell α chemoattractant/I-TAC) as measured by T-cell chemotaxis, with a potency of approx. 100 nM. In the experiment, the researchers used many compounds, for example, 3-Cyanobenzoyl chloride (cas: 1711-11-1HPLC of Formula: 1711-11-1).

3-Cyanobenzoyl chloride (cas: 1711-11-1) 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 readily react with amines to give substituted amines. Alkyl chlorides are substituted by softer halides such as the iodide in the Finkelstein reaction.HPLC of Formula: 1711-11-1

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

Novel penta-1,4-diene-3-one derivatives containing quinazoline and oxime ether fragments: Design, synthesis and bioactivity was written by Su, Shijun;Chen, Mei;Li, Qin;Wang, Yihui;Chen, Shuai;Sun, Nan;Xie, Chengwei;Huai, Ziyou;Huang, Yinjiu;Xue, Wei. And the article was included in Bioorganic & Medicinal Chemistry in 2021.Computed Properties of C8H9Cl This article mentions the following:

A series of novel penta-1,4-diene-3-one derivatives I [R = H, [(2,4-dichlorophenyl)methyl]oxidanyl, [(2-chlorophenyl)methyl]oxidanyl, [(4-chlorophenyl)methyl]oxidanyl, [(2-fluorophenyl)methyl]oxidanyl; R¹ = thiophen-2-yl, pyridin-2-yl; R² = H, [(2-fluorophenyl)methyl]oxidanyl, [(2,4-dichlorophenyl)methyl]oxidanyl, [(3-methylphenyl)methyl]oxidanyl, etc.; R³ = H, 6-Cl, 8-Me] containing quinazoline and oxime ether moieties were designed and synthesized. Their anticancer activities were evaluated by MTT assay, and the results showed that most compounds exhibited extremely inhibitory effects against hepatoma SMMC-7721 cells. In particular, compounds I [R = R³ = H; R¹ = pyridin-2-yl; R² = [(3-methylphenyl)methyl]oxidanyl] (II) and I [R = H; R¹ = pyridin-2-yl; R² = [(4-chlorophenyl)methyl]oxidanyl; R³ = 6-Cl] (III) displayed the more potent inhibitory activity with IC₅₀ values of 0.64 and 0.63μM, which were better than that of gemcitabine (1.40μM). Further mechanism studies indicated that compounds II, III, I [R = [(2,4-dichlorophenyl)methyl]oxidanyl; R¹ = pyridin-2-yl; R² = R³ = H] and I [R = [(2,4-dichlorophenyl)methyl]oxidanyl; R¹ = pyridin-2-yl; R² = H; R³ = 6-Cl] could control the migration of SMMC-7721 cells effectively, and inhibit the proliferation of cancer cells by inhibiting the DNA replication. Western-blot results showed that compounds II and III induced irreversible apoptosis of SMMC-7721 cells by regulating the expression level of apoptose-related proteins. Those studies demonstrated that the penta-1,4-diene-3-one derivatives I containing quinazoline and oxime ether fragments merited further research as potential anticancer agents. In the experiment, the researchers used many compounds, for example, 1-(Chloromethyl)-3-methylbenzene (cas: 620-19-9Computed Properties of C8H9Cl).

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. The haloform reaction, using chlorine and sodium hydroxide, is also able to generate alkyl halides from methyl ketones, and related compounds. Chloroform was formerly produced thus.Computed Properties of C8H9Cl

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

Conjugation of two functional groups through an unsaturated system was written by Exner, Otto;Bohm, Stanislav. And the article was included in Journal of Physical Organic Chemistry in 2005.Application In Synthesis of (E)-4-Chlorobut-2-enoic acid This article mentions the following:

Energies of 51 1-(E),4-(E)-disubstituted 1,3-butadienes (1), 36 1,4-disubstituted benzenes (2) and 36 (E)-1,2-disubstituted ethenes (3) with dipolar substituents were calculated at the B3LYP/6-311 + G(d,p) level and evaluated in terms of isodesmic reactions expressing the interaction of substituents through the conjugated system. The energy of interaction reaches up to 40 kJ mol^-1, it is roughly similar in the three series and most regular in the series 1. While its correlation within the framework of dual substituent parameter anal. lacks phys. meaning, it is possible to sep. the conjugative (resonance) component by subtracting the inductive component with reference to 1,4-disubstituted bicyclo[2.2.2]octanes 4. The conjugative interaction is strongly stabilizing for the combination acceptor-donor and destabilizing for two donors; in these cases it is parallel to changes of geometry as they are predicted by the common resonance formulas. Interaction of two acceptors is weak; in addition, there are groups that cannot be classified either as donors or as acceptors. Therefore, one can construct a scale of the resonance ability of donors in conjugation with an acceptor and vice versa, but it is not possible to express the interaction of two donors or of two acceptors on a unified scale for all substituents. The resonance description is certainly appropriate for the typical examples (interaction of NO₂ and NH₂) but should not be generalized to all possible structures. In the experiment, the researchers used many compounds, for example, (E)-4-Chlorobut-2-enoic acid (cas: 26340-58-9Application In Synthesis of (E)-4-Chlorobut-2-enoic acid).

(E)-4-Chlorobut-2-enoic acid (cas: 26340-58-9) 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.Application In Synthesis of (E)-4-Chlorobut-2-enoic acid

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

The study of the ultraviolet absorption of ortho-substituted anilines. II. N-Substituted ortho-halogenated anilines was written by Grammaticakis, P.. And the article was included in Bulletin de la Societe Chimique de France in 1949.Formula: C8H10ClN This article mentions the following:

The qual. relations between the spectra of the N-derivatives of o-toluidine and mesidine are generally retained when the Me group is replaced by Cl or Br. Br causes very slight, if any, shift toward the visible as compared with Cl. Spectra are reported of: o-ClC₆H₄NH₂ (I); 2,4,6-Cl₃C₆H₂NH₂ (II); 2,4,6-Br₃C₆H₂NH₂ (III); the N-mono-Me and N,N-di-Me derivatives of I, II, and III; the N-Ac, N-Bz, and N-formyl derivatives of I, II, and III and their N-mono-Me derivatives; the N,N-di-Ac derivatives of II and III; the N-cyclohexylidene derivatives of I and II; the N-benzylidene derivatives of I, II, and III; the N-phenylcarbamyl derivatives of I, II, and III and their N-mono-Me derivatives; the N-PhSO₂ derivative of I; the N-phenylcarbamyl derivative of mesidine and its mono-Bu derivative; the N-carbamyl derivatives of I and o-toluidine and o-acetotoluide. In the experiment, the researchers used many compounds, for example, 2-Chloro-N,N-dimethylaniline (cas: 698-01-1Formula: C8H10ClN).

2-Chloro-N,N-dimethylaniline (cas: 698-01-1) 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. The haloform reaction, using chlorine and sodium hydroxide, is also able to generate alkyl halides from methyl ketones, and related compounds. Chloroform was formerly produced thus.Formula: C8H10ClN

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

N-monoarylacetothioureas as potent urease inhibitors: synthesis, SAR, and biological evaluation was written by Li, Wei-Yi;Ni, Wei-Wei;Ye, Ya-Xi;Fang, Hai-Lian;Pan, Xing-Ming;He, Jie-Ling;Zhou, Tian-Li;Yi, Juan;Liu, Shan-Shan;Zhou, Mi;Xiao, Zhu-Ping;Zhu, Hai-Liang. And the article was included in Journal of Enzyme Inhibition and Medicinal Chemistry in 2020.Name: 2-(3-Methoxyphenyl)acetyl chloride This article mentions the following:

A urease inhibitor with good in vivo profile is considered as an alternative agent for treating infections caused by urease-producing bacteria such as Helicobacter pylori. Here, we report a series of N-monosubstituted thioureas, which act as effective urease inhibitors with very low cytotoxicity. One compound () was evaluated in detail and shows promising features for further development as an agent to treat H. pylori caused diseases. Excellent values for the inhibition of against both extracted urease and urease in intact cell were observed, which shows IC₅₀ values of 0.16 ± 0.05 and 3.86 ± 0.10μM, being 170- and 44-fold more potent than the clin. used drug AHA, resp. Docking simulations suggested that the monosubstituted thiourea moiety penetrates urea binding site. In addition, is a rapid and reversible urease inhibitor, and displays nM affinity to urease with very slow dissociation (k_off=1.60 × 10^-3 s^-1) from the catalytic domain. In the experiment, the researchers used many compounds, for example, 2-(3-Methoxyphenyl)acetyl chloride (cas: 6834-42-0Name: 2-(3-Methoxyphenyl)acetyl chloride).

2-(3-Methoxyphenyl)acetyl chloride (cas: 6834-42-0) 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. The haloform reaction, using chlorine and sodium hydroxide, is also able to generate alkyl halides from methyl ketones, and related compounds. Chloroform was formerly produced thus.Name: 2-(3-Methoxyphenyl)acetyl chloride

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

Structural modifications of benzanilide derivatives, effective potassium channel openers. X. was written by Calderone, Vincenzo;Coi, Alessio;Fiamingo, Francesca Lidia;Giorgi, Irene;Leonardi, Michele;Livi, Oreste;Martelli, Alma;Martinotti, Enrica. And the article was included in European Journal of Medicinal Chemistry in 2006.Computed Properties of C8H7ClO3 This article mentions the following:

Large-conductance calcium-activated potassium (BK) channels are involved in many fundamental cell functions. Consistently, the ability to activate BK channels by exogenous compounds is considered as a promising pharmacodynamic pattern for the potential treatment of several pathologies. In this perspective, the development of new and selective BK-openers can be considered as an actual field of research. This paper reports the synthesis and pharmacol. evaluation of new benzanilides, useful for deepening the comprehension of the structure-activity relationships, emerged in previous studies on this class of BK-activators. From a structural point of view, these benzanilides belong to a general class of BK-activators, showing a common pharmacophoric model, consisting of two aryl groups linked through an appropriate “spacer” and the almost obligatory presence of a phenolic hydroxyl. In particular, a new series of benzanilides, in which the Ph rings have been widely changed both on the acidic portion and the basic one of the amide spacer, were synthesized. Their vasorelaxing effects, induced through the activation of BK channels, were also evaluated. Although many compounds exhibited effects which could not be attributed to the activation of BK channels, two derivatives showed a clear profile of BK-activators with vasodilator activity comparable to or slightly lower than that recorded for the reference benzimidazolone NS1619. A further mol. modeling approach allowed us to obtain a mol. electrostatic potential feature which suggests a suitable interaction with the receptor site of the BK channel, from a tri-dimensional point of view. This approach seems to represent a further contribution for the development of new BK-activators, designed on the basis of the pharmacophoric model above-mentioned. In the experiment, the researchers used many compounds, for example, 5-Chloro-2-methoxybenzoic acid (cas: 3438-16-2Computed Properties of C8H7ClO3).

5-Chloro-2-methoxybenzoic acid (cas: 3438-16-2) 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. Aryl chlorides may be prepared by the Friedel-Crafts halogenation, using chlorine and a Lewis acid catalyst.Computed Properties of C8H7ClO3

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

Design, synthesis, and biological evaluation of 1-(5-(benzylthio)-1,3,4-thiadiazol-2-yl)-3-phenylurea derivatives as anticancer agents was written by Aghcheli, Ayoub;Toolabi, Mahsa;Ayati, Adileh;Moghimi, Setareh;Firoozpour, Loghman;Bakhshaiesh, Tayebeh Oghabi;Nazeri, Elahe;Norouzbahari, Maryam;Esmaeili, Rezvan;Foroumadi, Alireza. And the article was included in Medicinal Chemistry Research.COA of Formula: C8H9Cl This article mentions the following:

Abstract: A novel series of 1-(5-(benzylthio)-1,3,4-thiadiazol-2-yl)-3-phenylurea derivatives (5a-l) were designed and synthesized as sorafenib analogs. The in vitro cytotoxicity effects of synthesized compounds were evaluated against four different human cancer cells including MCF-7, HepG2, A549, and HeLa cell lines. The biol. results showed that most of the compounds significantly prevented the proliferation of tested cancer cells. In particular, 2-F, 4-Cl, and 2,6-diF substituted derivatives (5d, 5g, and 5k) showed promising activities, especially against Hela cancer cells (IC₅₀ = 0.37, 0.73 and 0.95 μM, resp.) which were significantly more potent than sorafenib as the reference drug (IC₅₀ = 7.91 μM). Flow cytometry anal. revealed that the prototype compounds (5d, 5g, and 5k) significantly induced apoptotic cell death in HeLa cancer cells and blocked the cell cycle at the sub-G1 phase. Moreover, in silico docking study confirmed the binding of the prototype compound to the active site of VEGFR-2. In the experiment, the researchers used many compounds, for example, 1-(Chloromethyl)-3-methylbenzene (cas: 620-19-9COA of Formula: C8H9Cl).

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. Alkanes and aryl alkanes may be chlorinated under free radical conditions, with UV light. However, the extent of chlorination is difficult to control.COA of Formula: C8H9Cl

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

Synthesis and biological evaluation of imidamide analogs as selective anti-trypanosomal agents was written by Bobba, Viharika;Li, Yaxin;Afrin, Marjia;Dano, Raina;Zhang, Wenjing;Li, Bibo;Su, Bin. And the article was included in Bioorganic & Medicinal Chemistry in 2022.Recommanded Product: 1711-11-1 This article mentions the following:

Human African trypanosomiasis is caused by a protozoan parasite Trypanosoma brucei majorly infecting people living in sub-Saharan Africa. Current limited available treatments suffer from drug resistance, severe adverse effects, low efficacy, and costly administrative procedures in African countries with limited medical resources. Therefore, there is always a perpetual demand for advanced drug development and invention of new strategies to combat the disease. Previous work in our lab generated a library of sulfonamide analogs as selective tubulin inhibitors, based on the structural difference between mammalian and trypanosome tubulin proteins. Further lead derivatization was performed in the current study and generated 25 potential drug candidates to improve the drug efficacy and uptake by selectively targeting the parasite′s P2 membrane transporter protein with imidamide moiety. One of the newly synthesized analogs, compound 25 with a di-imidamide moiety, has shown greater potency with an IC50 of 1 nM to selectively inhibit the growth of trypanosome cells without affecting the viability of mammalian cells. Western blot analyses reveal that the compound suppressed tubulin polymerization in T. brucei cells. A detailed structure-activity relationship (SAR) was summarized that will be used to guide future lead optimization. In the experiment, the researchers used many compounds, for example, 3-Cyanobenzoyl chloride (cas: 1711-11-1Recommanded Product: 1711-11-1).

3-Cyanobenzoyl chloride (cas: 1711-11-1) 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. Aliphatic organochlorides are often alkylating agents as chlorine can act as a leaving group, which can result in cellular damage.Recommanded Product: 1711-11-1

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

Synthesis of new derivatives of 5-alkyl-6-(2,6-dihalobenzyl)-2-(methylsulfanyl)pyrimidin-4(3H)-one and the features of their oxidation was written by Novakov, I. A.;Orlinson, B. S.;Navrotskii, M. B.;Eremiichuk, A. S.;Brunilina, L. L.;Gordeeva, E. A.;Gerasimov, E. N.. And the article was included in Russian Journal of Organic Chemistry in 2010.Recommanded Product: 2-Chloro-6-fluorophenylacetonitrile This article mentions the following:

The synthesis and regioselective S-monomethylation of new 5-alkyl-6-(arylmethyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-ones was investigated. Addnl., the oxidative degradation of these compounds on treatment with H₂O₂-AcOH was studied. In the experiment, the researchers used many compounds, for example, 2-Chloro-6-fluorophenylacetonitrile (cas: 75279-55-9Recommanded Product: 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. Organochlorine compounds are lipophylic, meaning they are more soluble in fat than in water. This gives them a high tenancy to accumulate in the food chain (biomagnification).Recommanded Product: 2-Chloro-6-fluorophenylacetonitrile

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

Palladium-Catalyzed Remote meta-Selective C-H Bond Silylation and Germanylation was written by Modak, Atanu;Patra, Tuhin;Chowdhury, Rajdip;Raul, Suman;Maiti, Debabrata. And the article was included in Organometallics in 2017.Reference of 697-73-4 This article mentions the following:

Selective meta-C-H activation of arenes until date has met with a limited number of functionalizations. Expanding the horizon of meta-C-H functionalization, herein the authors disclose an unprecedented meta-silylation and germanylation protocol by employing a simple nitrile based directing template. Longer linker between the target site and the directing template were successfully explored for meta-silylation (sp²ε and sp²ζ). Addnl., synthetic utility was demonstrated with several postsynthetic elaborations and with a formal synthesis of TAC101, a promising drug for the treatment of lung cancer. In the experiment, the researchers used many compounds, for example, 2-(Chloromethyl)-1,3-difluorobenzene (cas: 697-73-4Reference of 697-73-4).

2-(Chloromethyl)-1,3-difluorobenzene (cas: 697-73-4) 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. Aliphatic organochlorides are often alkylating agents as chlorine can act as a leaving group, which can result in cellular damage.Reference of 697-73-4

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