Day: October 17, 2022

《Novel N-thioamide analogues of pyrazolylpyrimidine based piperazine: Design, synthesis, characterization, in-silico molecular docking study and biological evaluation》 was written by Vekariya, Mayur K.; Patel, Dhaval B.; Pandya, Pranav A.; Vekariya, Rajesh H.; Shah, Prapti U.; Rajani, Dhanji P.; Shah, Nisha K.. COA of Formula: C4H2Cl2N2This research focused onthioureidopiperazinyl pyrimidinyl pyrazolecarboxylate preparation antitubercular antimalaria antibacterial antifungal activity; structure thioureidopiperazinyl pyrimidinyl pyrazolecarboxylate antitubercular antimalaria antibacterial antifungal activity; mol docking thioureidopiperazinyl pyrimidinyl pyrazolecarboxylate DHFR FabH hydrolase; calculated hERG inhibition biol permeability thioureidopiperazinyl pyrimidinyl pyrazolecarboxylate; solubility polar surface area calculated thioureidopiperazinyl pyrimidinyl pyrazolecarboxylate. The article conveys some information:

(Thioureidopiperazinyl)pyrimidinyl pyrazolecarboxylates I (R = Ph, Me, Et, n-Pr, Bu, i-Pr, t-Bu, H2C:CHCH2, cyclohexyl, PhCH2, 2-MeOC6H4, 3-MeOC6H4, 4-MeOC6H4, 3-ClC6H4, 4-ClC6H4, 4-FC6H4, 2,4-Cl2C6H3, 3-IC6H4, 4-MeC6H4, PhCO, 4-O2NC6H4, 2,3-Cl2C6H3, 2,6-Cl2C6H3, 2-ClC6H4) were prepared and tested as potential antituberculosis, antimalarial, antibacterial, and antifungal agents. Their physicochem., biol. permeabilities into cells and through the blood-brain barrier, and hERG inhibition were calculated and the binding to Plasmodium falciparum dihydrofolate reductase, Escherichia coli FabH, and Staphylococcus aureus hydrolase were calculated for selected compounds In addition to this study using 4,6-Dichloropyrimidine, there are many other studies that have used 4,6-Dichloropyrimidine(cas: 1193-21-1COA of Formula: C4H2Cl2N2) was used in this study.

4,6-Dichloropyrimidine(cas: 1193-21-1) is a member of organic chlorides. Organic chlorides are compounds containing a carbon-chlorine bond, which are widely used in the oil field as a wax dissolver. They are generally not present in crude oils and are typically the result of additives, cleaning solutions or chemicals used for oil recovery.COA of Formula: C4H2Cl2N2

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Related Products of 14001-69-5On May 12, 2022 ,《Parallel Optimization of Potency and Pharmacokinetics Leading to the Discovery of a Pyrrole Carboxamide ERK5 Kinase Domain Inhibitor》 appeared in Journal of Medicinal Chemistry. The author of the article were Miller, Duncan C.; Reuillon, Tristan; Molyneux, Lauren; Blackburn, Timothy; Cook, Simon J.; Edwards, Noel; Endicott, Jane A.; Golding, Bernard T.; Griffin, Roger J.; Hardcastle, Ian; Harnor, Suzannah J.; Heptinstall, Amy; Lochhead, Pamela; Martin, Mathew P.; Martin, Nick C.; Myers, Stephanie; Newell, David R.; Noble, Richard A.; Phillips, Nicole; Rigoreau, Laurent; Thomas, Huw; Tucker, Julie A.; Wang, Lan-Zhen; Waring, Michael J.; Wong, Ai-Ching; Wedge, Stephen R.; Noble, Martin E. M.; Cano, Celine. The article conveys some information:

The nonclassical extracellular signal-related kinase 5 (ERK5) mitogen-activated protein kinase pathway has been implicated in increased cellular proliferation, migration, survival, and angiogenesis; hence, ERK5 inhibition may be an attractive approach for cancer treatment. However, the development of selective ERK5 inhibitors has been challenging. Previously, we described the development of a pyrrole carboxamide high-throughput screening hit into a selective, submicromolar inhibitor of ERK5 kinase activity. Improvement in the ERK5 potency was necessary for the identification of a tool ERK5 inhibitor for target validation studies. Herein, we describe the optimization of this series to identify nanomolar pyrrole carboxamide inhibitors of ERK5 incorporating a basic center, which suffered from poor oral bioavailability. Parallel optimization of potency and in vitro pharmacokinetic parameters led to the identification of a nonbasic pyrazole analog with an optimal balance of ERK5 inhibition and oral exposure. In the experiment, the researchers used 2-Methoxy-5-nitropyrimidine(cas: 14001-69-5Related Products of 14001-69-5)

2-Methoxy-5-nitropyrimidine(cas: 14001-69-5) is a member of ether. When aromatic ethers are exposed to halogen in the presence or absence of a catalyst, they undergo halogenation, such as bromination.Related Products of 14001-69-5

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Related Products of 213743-31-8On March 5, 2017, Seo, Hyang-Hee; Kim, Sang Woo; Lee, Chang Youn; Lim, Kyu Hee; Lee, Jiyun; Lim, Soyeon; Lee, Seahyoung; Hwang, Ki-Chul published an article in European Journal of Pharmacology. The article was 《7-cyclopentyl-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d] pyrimidin-4-ylamine inhibits the proliferation and migration of vascular smooth muscle cells by suppressing ERK and Akt pathways》. The article mentions the following:

Excessive vascular smooth muscle cell (VSMC) proliferation and migration after vascular injury significantly contributes to the development of occlusive vascular disease. Therefore, inhibiting the proliferation and migration of VSMCs is a validated therapeutic modality for occlusive vascular disease such as atherosclerosis and restenosis. In the present study, we screened chem. compounds for their anti-proliferative effects on VSMCs using multiple approaches, such as MTT assays, wound healing assays, and trans-well migration assays. Our data indicate that 7-cyclopentyl-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d] pyrimidin-4-ylamine, a lymphocyte-specific protein tyrosine kinase (Lck) inhibitor, significantly inhibited both VSMC proliferation and migration. 7-Cyclopentyl-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-ylamine suppresses VSMC proliferation and migration via down-regulating the protein kinase B (Akt) and extracellular signal regulated kinase (ERK) pathways, and it significantly decreased the expression of proliferating cell nuclear antigen (PCNA) and cyclin D1 and, the phosphorylation of retinoblastoma protein (pRb). Addnl., 7-cyclopentyl-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d] pyrimidin-4-ylamine suppressed the migration of VSMCs from endothelium-removed aortic rings, as well as neointima formation following rat carotid balloon injury. The present study identified 7-cyclopentyl-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-ylamine as a potent VSMC proliferation and migration inhibitor and warrants further studies to elucidate its more detailed mol. mechanisms, such as its primary target, and to further validate its in vivo efficacy as a therapeutic agent for pathol. vascular conditions, such as restenosis and atherosclerosis. In the part of experimental materials, we found many familiar compounds, such as 7-Cyclopentyl-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine(cas: 213743-31-8Related Products of 213743-31-8)

7-Cyclopentyl-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine(cas: 213743-31-8) belongs to pyrimidine. Pyrimidine nucleotide derivatives have a wide range of biological applications. For example, pyrimidine derivatives are useful in DNA repair studies involving cancer and epigenetics. Related Products of 213743-31-8

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Alvarez de Cienfuegos, Luis; Mota, Antonio J.; Rodriguez, Concepcion; Robles, Rafael published an article on January 17 ,2005. The article was titled 《Highly efficient synthesis of 2′,3′-didehydro-2′,3′-dideoxy-β-nucleosides through a sulfur-mediated reductive 2′,3′-trans-elimination. From iodomethylcyclopropanes to thiirane analogs》, and you may find the article in Tetrahedron Letters.Electric Literature of C17H16N2O5 The information in the text is summarized as follows:

Taking into account the thiophilic properties of iodine, a very simple methodol. to achieve 2′,3′-didehydro-2′,3′-dideoxy-β-nucleosides in high yield was performed, using mild, and inexpensive conditions, by means of the treatment of 2′-deoxy-3′,5′-dibenzoyl-2′-iodo-β-nucleoside derivatives with NaHS. The process has shown to be highly dependent of the relative geometry between the iodine atom and the adjacent leaving group. In this way, different essays carried out with pyranose derivatives have concluded in no reaction when the vicinal groups to eliminate do not adopt a trans-diaxial disposition. In addition, the treatment of 2-iodomethyl-cyclopropane-1,1-dicarboxylic acid di-Et ester under the same conditions softly and readily leads to the obtention of a mixture of the expected 2-allyl-malonic acid di-Et ester (as the minor product) and the thiirane derivative 2-thiiranylmethyl-malonic acid di-Et ester (as the major product). In this case, the responsible of the reaction progress are the nucleophilic properties of the sulfur atom rather than the thiophilic character of the iodine atom. The results came from multiple reactions, including the reaction of ((2S,5R)-5-(5-Methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2,5-dihydrofuran-2-yl)methyl benzoate(cas: 122567-97-9Electric Literature of C17H16N2O5)

((2S,5R)-5-(5-Methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2,5-dihydrofuran-2-yl)methyl benzoate(cas: 122567-97-9) belongs to pyrimidine. Pyrimidine nucleotide derivatives have a wide range of biological applications. For example, pyrimidine derivatives are useful in DNA repair studies involving cancer and epigenetics.Electric Literature of C17H16N2O5

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Sato, Tomohiro; Watanabe, Hisami; Tsuganezawa, Keiko; Yuki, Hitomi; Mikuni, Junko; Yoshikawa, Seiko; Kukimoto-Niino, Mutsuko; Fujimoto, Takako; Terazawa, Yumiko; Wakiyama, Motoaki; Kojima, Hirotatsu; Okabe, Takayoshi; Nagano, Tetsuo; Shirouzu, Mikako; Yokoyama, Shigeyuki; Tanaka, Akiko; Honma, Teruki published an article in Bioorganic & Medicinal Chemistry. The title of the article was 《Identification of novel drug-resistant EGFR mutant inhibitors by in silico screening using comprehensive assessments of protein structures》.Recommanded Product: 7-Cyclopentyl-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine The author mentioned the following in the article:

EGFR is a target protein for the treatment of non small cell lung cancer (NSCLC). The mutations associated with the activation of EGFR kinase activity, such as L858R and G719S, destabilize the inactive conformation of EGFR and are closely linked with the development of NSCLC. The addnl. T790M mutation reportedly causes drug resistance against the com. available EGFR inhibitors, gefitinib and erlotinib. In this study, we searched for novel G719S/T790M EGFR inhibitors by a new in silico screening strategy, using two datasets. The results of in silico screening using protein-ligand docking are affected by the selection of 3D structure of the target protein. As the first strategy, we chose the 3D structures for in silico screening by test dockings using the G719S/T790M crystal structure, its mol. dynamics snapshots, and known inhibitors of the drug-resistant EGFR. In the second strategy, we selected the 3D structures by test dockings using all of the EGFR structures, regardless of the mutations, and all of the known EGFR inhibitors. Using each of the 3D structures selected by the strategies, 1000 compounds were chosen from the 71,588 compounds Kinase assays identified 15 G719S/T790M EGFR inhibitors, including two compounds with novel scaffolds. Analyses of their structure-activity relationships revealed that interactions with the mutated Met790 residue specifically increase the inhibitory activity against G719S/T790M EGFR. In the experimental materials used by the author, we found 7-Cyclopentyl-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine(cas: 213743-31-8Recommanded Product: 7-Cyclopentyl-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine)

7-Cyclopentyl-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine(cas: 213743-31-8) belongs to pyrimidine. Pyrimidine nucleotide derivatives have a wide range of biological applications. For example, pyrimidine derivatives are useful in DNA repair studies involving cancer and epigenetics.Recommanded Product: 7-Cyclopentyl-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

The author of 《Photodehydrocyclization of 1-styrylimidazoles; an HMO study》 were Copper, Geoffrey; Irwin, William J.. And the article was published in Journal of the Chemical Society in 1976. Application of 62222-38-2 The author mentioned the following in the article:

Photodehydrocyclization of 4,5-diphenyl-1-styrylimidazole gave the phenanthroimidazoisoquinoline I via the phenanthroimidazole II. Synthesis and photocyclization of the imidazoisoquinoline III, another possible intermediate, and HMO calculations, especially the resulting localization energies, support the intermediacy of II. The results came from multiple reactions, including the reaction of 5,6-Dihydroxy-2-phenylpyrimidine-4-carboxylic acid(cas: 62222-38-2Application of 62222-38-2)

5,6-Dihydroxy-2-phenylpyrimidine-4-carboxylic acid(cas: 62222-38-2) belongs to pyrimidine. Pyrimidine derivatives also play an important role in drug development, either in concert with other compounds or on their own. Application of 62222-38-2They have been used in a wide variety of pharmaceuticals including general anesthetics, anti-epilepsy medication, anti-malaria medication, drugs for treating high blood pressure, and HIV medication.

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

In 2015,Samanta, Ramesh C.; Yamamoto, Hisashi published 《Selective Halogenation Using an Aniline Catalyst》.Chemistry – A European Journal published the findings.Electric Literature of C6H3Cl2N3 The information in the text is summarized as follows:

Electrophilic halogenation was used to produce a wide variety of halogenated compounds The arylamines were found to generate an N-halo arylamine intermediate, which acts as a highly reactive but selective catalytic electrophilic halogen source. A wide variety of heteroaromatic and aromatic compounds were halogenated using com. available N-halosuccinimides, for example, NCS, NBS, and NIS, with good to excellent yields and with very high selectivity. In the case of unactivated double bonds, allylic chlorides were obtained under chlorination conditions, whereas bromocyclization occurred for polyolefin. The reactivity of the catalyst could be tuned by varying the electronic properties of the arene moiety of catalyst. In the experiment, the researchers used many compounds, for example, 2,4-Dichloro-7H-pyrrolo[2,3-d]pyrimidine(cas: 90213-66-4Electric Literature of C6H3Cl2N3)

2,4-Dichloro-7H-pyrrolo[2,3-d]pyrimidine(cas: 90213-66-4) belongs to pyrimidine. The pyrimidine ring system has wide occurrence in nature as substituted and ring fused compounds and derivatives, including the nucleotides cytosine, thymine and uracil, thiamine (vitamin B1) and alloxan. Electric Literature of C6H3Cl2N3

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

In 2019,Bioorganic & Medicinal Chemistry Letters included an article by Jo, Jeyun; Kim, Heegyu; Oh, Ji Youn; Kim, Soyeong; Park, Yeong Hye; Choi, Hyeonjin; Jeong, Jee-Yeong; Jung, Young-Suk; Yun, Hwayoung. Reference of 2,4-Dichloropyrimidine. The article was titled 《SAR Optimization studies on a novel series of 2-anilinopyrimidines as selective inhibitors against triple-negative breast cancer cell line MDA-MB-468》. The information in the text is summarized as follows:

Two series of 2-anilinopyrimidines I [R1 = pyrrol-1-yl, indol-1-yl, 4-Me-piperidin-1-yl; R2 = NMe2, morpholin-4-yl, thiomorpholin-4-yl, piperidin-1-yl] and II [R3 = methoxy, cyclohexyl; R4 = indol-1-yl, pyrrolidin-1-yl, 4-Cl-piperidin-1-yl, etc.] as a selective inhibitors of the basal-like TNBC cell line MDA-MB-468 were reported. An extensive anal. of structure-activity relationships of the analogs I and II revealed that aminoalkyl groups at the end of the Pr chain are amenable to modification. Compound II [R3 = cyclohexyl; R4 = 4-Cl-piperidin-1-yl] was found to be the most potent and selective and was about three times more potent and selective than I [R1 = 4-Me-piperidin-1-yl; R2 = piperidin-1-yl] was against the TNBC cells. The experimental part of the paper was very detailed, including the reaction process of 2,4-Dichloropyrimidine(cas: 3934-20-1Reference of 2,4-Dichloropyrimidine)

2,4-Dichloropyrimidine(cas: 3934-20-1) is a member of organic chlorides. Almost all organochlorine compounds are synthesized. It is widely used as intermediates, solvents and pesticides of chemical synthetic products.Reference of 2,4-Dichloropyrimidine

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

In 2019,Journal of Heterocyclic Chemistry included an article by Singh, Khushwant; Jana, Achintya; Lippmann, Petra; Ott, Ingo; Das, Neeladri. SDS of cas: 3934-20-1. The article was titled 《Pyrimidine Derivatives with Terminal Pyridyl Heterocycles: Facile Synthesis and Their Antiproliferative Activities》. The information in the text is summarized as follows:

The facile synthesis of two mols. containing both pyrimidine and pyridine scaffolds. A variety of anal. techniques (multinuclear NMR, Fourier transform IR, and mass spectrometry analyses) confirmed the purity of these mols. In pristine form, their potential as antitumor drugs was screened by investigating their cytotoxicity against various cell lines (cancerous and normal cells). Exptl. results confirmed that the two mols. exhibited cell growth inhibition at very low concentrations This was evident from their IC50 values that are in the range of 0.45-2.20 μM. The experimental process involved the reaction of 2,4-Dichloropyrimidine(cas: 3934-20-1SDS of cas: 3934-20-1)

2,4-Dichloropyrimidine(cas: 3934-20-1) is a member of organic chlorides. Almost all organochlorine compounds are synthesized. It is widely used as intermediates, solvents and pesticides of chemical synthetic products.SDS of cas: 3934-20-1

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

In 2019,Bioorganic & Medicinal Chemistry Letters included an article by Jo, Jeyun; Kim, Sou Hyun; Kim, Heegyu; Jeong, Myeonggyo; Kwak, Jae-Hwan; Taek Han, Young; Jeong, Jee-Yeong; Jung, Young-Suk; Yun, Hwayoung. Formula: C4H2Cl2N2. The article was titled 《Discovery and SAR studies of novel 2-anilinopyrimidine-based selective inhibitors against triple-negative breast cancer cell line MDA-MB-468》. The information in the text is summarized as follows:

Triple-neg. breast cancers (TNBCs) are characterized as an invasive and intractable subtype of breast cancers. Overexpression of epidermal growth factor receptor (EGFR) has been considered to be an important target for TNBC therapy, but efficacies of EGFR inhibitors in clin. trials are elusive. In this study, novel series of 2-anilinopyrimidines were synthesized in an effort to identify selective inhibitors against an EGFR-overexpressing TNBC cell line. Biol. evaluation demonstrated that compounds I and II, with a 4-methylpiperidine group and a high ClogP value, exhibited good potency and selectivity for the TNBC cell line. This study has provided evidence to support further development of 2-anilinopyrimidine-based TNBC selective inhibitors and investigation of the targets of compounds I and II. The results came from multiple reactions, including the reaction of 2,4-Dichloropyrimidine(cas: 3934-20-1Formula: C4H2Cl2N2)

2,4-Dichloropyrimidine(cas: 3934-20-1) is a member of organic chlorides. Organic chloride content in crude oil can be detected through specialized laboratory analysis. Care and attention are essential while sampling and testing.Formula: C4H2Cl2N2

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia