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Related Products of 837-52-5. Aromatic heterocyclic compounds can also be classified according to the number of heteroatoms contained in the heterocycle: single heteroatom, two heteroatoms, three heteroatoms and four heteroatoms. Compound: 7-Chloro-4-(piperazin-1-yl)quinoline, is researched, Molecular C13H14ClN3, CAS is 837-52-5, about Discovery of a novel CCR5 antagonist lead compound through fragment assembly. Author is Liu, Yanqing; Zhou, Enkun; Yu, Kunqian; Zhu, Jin; Zhang, Yu; Xie, Xin; Li, Jian; Jiang, Hualiang.

CCR5, as the major co-receptor for HIV-1 entry, is an attractive novel target for the pharmaceutical industry in the HIV-1 therapeutic area. In this study, based on the structures of maraviroc and 1,4-bis(4-(7-chloroquinolin-4-yl)piperazin-1-yl)butane-1,4-dione (1), which was identified using structure-based virtual screening in conjunction with a calcium mobilization assay, a series of novel small mol. CCR5 antagonists have been designed and synthesized through fragment assembly. Preliminary SARs were obtained, which are in good agreement with the mol. binding model and should prove helpful for future antagonist design. The novel scaffold presented here might also be useful in the development of maraviroc-derived second generation CCR5 antagonists.

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Many known 5-HT7 ligands contain either a serotonin-like or an arylpiperazine structure that, in published SAR studies, are generally supposed to bind the same receptor pocket. Conversely, the authors explored the hypothesis that two such moieties can coexist in the same ligand, binding to different pockets. The authors thus designed and synthesized a set of compounds including both a 5-hydroxyindol-3-ylethyl and a 1-arylpiperazine moieties connected by a short linker, e.g. I [R1 = HO, NH2, Cl, etc.; R2 = Ph, α-naphthyl, β-naphthyl, etc.; X = CH2, O, NH, etc.; Y = (CH2)n; n = 2, 3, 4, 5, 6]. The compounds were tested for their affinity for human 5-HT7 serotonin receptor. The authors further prepared a novel series of 5-HT7 ligands, where the 5-hydroxyindol-3-ylethyl moiety was bioisosterically replaced by a 3-hydroxyanilinoalkyl one. Among the newly synthesized compounds, potent ligands at the 5-HT7 receptor, behaving as antagonists in functional tests, were identified, even if they showed limited subtype selectivity. Docking studies within a model of the 5-HT7 receptor showed that the binding site can actually accommodate both moieties, with the serotonin-like one in the putative orthosteric site and the arylpiperazine one occupying an accessory pocket. The present results demonstrate that it is possible to devise and develop new 5-HT7 ligands merging two privileged structures in the same mol.

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COA of Formula: C13H14ClN3. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: 7-Chloro-4-(piperazin-1-yl)quinoline, is researched, Molecular C13H14ClN3, CAS is 837-52-5, about Synthesis of oxalamide and triazine derivatives as a novel class of hybrid 4-aminoquinoline with potent antiplasmodial activity. Author is Sunduru, Naresh; Sharma, Moni; Srivastava, Kumkum; Rajakumar, S.; Puri, S. K.; Saxena, J. K.; Chauhan, Prem M. S..

Frequency of malaria and its resistance to chemotherapeutic options are emerging rapidly. To counter this problem, a series of 4-aminoquinolines having oxalamide and triazine functionalities in the side chain were synthesized and screened for their antimalarial activities. Triazine derivative 48 (I) found to be the most active against CQ sensitive strain 3D7 of Plasmodium falciparum in an in vitro assay with an IC50 of 5.23 ng/mL and oxalamide derivative 13 showed an in vivo suppression of 70.45% on day 4 against CQ resistant strain N-67 of Plasmodium yoelii.

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Quinoline-ferrocene hybrids containing various linkers were synthesized and evaluated for antimalarial and anticancer activities as well as cytotoxicity. The hybrids with rigid linkers are inactive, while those with flexible spacers showed activity against both the D10 and Dd2 strains of Plasmodium falciparum, and demonstrated a good selectivity towards these parasitic cells in comparison with emetine. The hybrid 16, featuring 3-aminopropyl methylamine linker, was the most antimalarial active compound, exhibiting a significantly better potency than chloroquine against the Dd2 strain (IC50 = 0.008 vs. 0.148 μM; 19-fold), and also is significantly more active than the equimolar chloroquine-ferrocene combination (IC50 = 3.7 vs. 41 ng/mL, 10-fold) against the Dd2 strain. Anticancer activity screening showed that all the antimalarial active hybrids also exhibited potent cytostatic (GI50 = 0.6-3.3 μM) and had good cytotoxic effects (LC50 = 6-8 μM) against all three cancer cell lines. The hybrid 11 possessing 1,4-butanediamine linker was distinctively the most antiproliferative of all. It is more cytostatic (GI50: 0.7 vs. 5.9 μM, 8-fold) and (LC50: 6.4 vs. 92.6 μM, 14-fold) more cytotoxic than etoposide against the TK10 (renal) cell line.

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COA of Formula: C13H14ClN3. Aromatic heterocyclic compounds can also be classified according to the number of heteroatoms contained in the heterocycle: single heteroatom, two heteroatoms, three heteroatoms and four heteroatoms. Compound: 7-Chloro-4-(piperazin-1-yl)quinoline, is researched, Molecular C13H14ClN3, CAS is 837-52-5, about Synthesis and Antimycobacterial Evaluation of Piperazyl-alkyl-Ether Linked 7-Chloroquinoline-Chalcone/Ferrocenyl Chalcone Conjugates. Author is Singh, Amandeep; Viljoen, Albertus; Kremer, Laurent; Kumar, Vipan.

A series of piperazyl-alkyl-ether linked 7-chloroquinoline-chalcone/ferrocenyl chalcone conjugates were synthesized and evaluated for their anti-mycobacterial activities against the mc26230 strain of Mycobacterium tuberculosis and cytotoxicity against the Vero cell line. While all the compounds showed limited cytotoxicity, the ferrocenyl-chalcone conjugate with pentyl chain as spacer proved to be most potent among the series with a Min. Inhibitory Concentration (MIC) of 14 μg/mL.

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So far, in addition to halogen atoms, other non-metallic atoms can become part of the aromatic heterocycle, and the target ring system is still aromatic.Ananthan, Subramaniam; Saini, Surendra K.; Zhou, Guangyan; Hobrath, Judith V.; Padmalayam, Indira; Zhai, Ling; Bostwick, J. Robert; Antonio, Tamara; Reith, Maarten E. A.; McDowell, Shea; Cho, Eunie; McAleer, Leah; Taylor, Michelle; Luedtke, Robert R. researched the compound: 7-Chloro-4-(piperazin-1-yl)quinoline( cas:837-52-5 ).SDS of cas: 837-52-5.They published the article 《Design, Synthesis, and Structure-Activity Relationship Studies of a Series of [4-(4-Carboxamidobutyl)]-1-arylpiperazines: Insights into Structural Features Contributing to Dopamine D3 versus D2 Receptor Subtype Selectivity》 about this compound( cas:837-52-5 ) in Journal of Medicinal Chemistry. Keywords: aroylaminobutyl arylpiperazine preparation selective dopamine D3 receptor ligand; structure aroylaminobutyl arylpiperazine antagonism partial agonism dopamine D3 receptor; selectivity aroylaminobutyl arylpiperazine binding D3 D2 dopamine receptor; mol docking calculation aroylaminobutyl arylpiperazine bound dopamine D3 receptor; calculated lipophilicity aroylaminobutyl arylpiperazine. We’ll tell you more about this compound (cas:837-52-5).

(Aroylaminobutyl)arylpiperazines such as I were prepared as antagonists or partial agonists of the dopamine D3 receptor selective for D3 receptors over the related dopamine D2 receptors for potential use in treatment of drug addiction and schizophrenia. The calculated lipophilicities of and inhibition of dopamine D3 and D2 receptors by (aroylaminobutyl)arylpiperazines was determined, and the inhibition of mutant and chimeric D3 receptors by selected compounds and the activities of selected compounds in functional assays in human cells were determined Mol. docking calculations of the structures of selected compounds bound to dopamine D3 receptors were performed; the mol. docking studies and evaluation against a set of chimeric and mutant receptors suggest that interactions at the extracellular end of TM7 contribute to the selectivity of the ligands for dopamine D3 receptors over dopamine D2 receptors.

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An efficient, robust green chem. synthesis of the malaria drug piperaquine in 92-93% overall yield via nucleophilic substitution reaction of dichloroquinoline and piperazine for potential use in resource-poor settings are described. The piperaquine was obtained in the correct salt form and sufficient purity for use in Artemisinin Combination Therapies. The overall process utilizes modest amounts (about 8 kg/kg) of 2-propanol and Et acetate as the only organic materials not incorporated into the API; roughly 60 % of this waste can be recycled into the production process. The synthesis may be useful for application in resource-poor settings as a means of expanding access to and reducing the cost of ACTs.

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Epoxy compounds usually have stronger nucleophilic ability, because the alkyl group on the oxygen atom makes the bond angle smaller, which makes the lone pair of electrons react more dissimilarly with the electron-deficient system. Compound: 7-Chloro-4-(piperazin-1-yl)quinoline, is researched, Molecular C13H14ClN3, CAS is 837-52-5, about Pilot plant production of anti-malarial drug piperaquine phosphate and synthesis of its metabolites.Electric Literature of C13H14ClN3.

An optimized, convergent, safe synthesis of piperaquine phosphate (I), an antimalarial agent, as well as synthesis of its main metabolites was described. Major improvements for I production were made in the preparation of its intermediate by using directly piperazine instead of N-formyl piperazine. The structures of the synthetic compounds were determined from spectral anal. including MS and 2D NMR.

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Cu(I)Cl promoted synthesis of N-propargylated-isatin Mannich mono- and bis-adducts, e.g. I [R = H, Me, Cl, etc.] with an extension towards the synthesis of N-propargylated-isatin-7-chloroquinoline conjugates was described. The synthesized scaffolds were evaluated for their in vitro activity against the veterinary protozoal pathogen Tritrichomonas fetus and cytotoxicity against human prostate cancer cell line. The preliminary evaluation data revealed the enhancement in the activity profiles with the introduction of 7-chloroquinoline ring with the most active conjugates I [R = H, Cl, Me] exhibiting IC50 of 22.2, 11.3 and 24.5 μM resp. against T. fetus and minimal toxicity against human prostate cell lines.

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In general, if the atoms that make up the ring contain heteroatoms, such rings become heterocycles, and organic compounds containing heterocycles are called heterocyclic compounds. An article called 7-Chloro-4-(piperazin-1-yl)quinoline, published in 2012-05-31, which mentions a compound: 837-52-5, Name is 7-Chloro-4-(piperazin-1-yl)quinoline, Molecular C13H14ClN3, COA of Formula: C13H14ClN3.

There are two mols. in the asym. unit (Z’ = 2) of the title compound, C13H14ClN3. Each mol. is linked by N-H···N H bonds to another of the same type in a chain in [110]. The crystal studied was a nonmerohedral twin with components 0.622(2) and 0.378(2). Crystallog. data and at. coordinates are given.

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