Tag: 100-200

Bonanno, Nico M.; Watts, Zackery; Mauws, Cole; Patrick, Brian O.; Wiebe, Christopher R.; Shibano, Yuki; Sugisaki, Kenji; Matsuoka, Hideto; Shiomi, Daisuke; Sato, Kazunobu; Takui, Takeji; Lemaire, Martin T. published their research in Chemical Communications (Cambridge, United Kingdom) in 2021. The article was titled 《Valence tautomerism in a [2 x 2] Co4 grid complex containing a ditopic arylazo ligand》.HPLC of Formula: 1193-21-1 The article contains the following contents:

The authors describe the structural and magnetic properties of a tetranuclear [2 x 2] Co4 grid complex containing a ditopic arylazo ligand. At low temperatures and in solution the complex is comprised of Co3+ and singly reduced trianion-radical ligands. In the solid state the authors demonstrate the presence of valence tautomerization via variable temperature magnetic susceptibility experiments and powder-pattern EPR spectroscopy. Valence tautomerism in polynuclear complexes is very rare and to our knowledge is unprecedented in [2 x 2] grid complexes. In the experiment, the researchers used 4,6-Dichloropyrimidine(cas: 1193-21-1HPLC of Formula: 1193-21-1)

4,6-Dichloropyrimidine(cas: 1193-21-1) 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.HPLC of Formula: 1193-21-1

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

In 2018,Espinosa-Bustos, Christian; Frank, Annika; Arancibia-Opazo, Sandra; Salas, Cristian O.; Fierro, Angelica; Stark, Holger published 《New lead elements for histamine H3 receptor ligands in the pyrrolo[2,3-d]pyrimidine class》.Bioorganic & Medicinal Chemistry Letters published the findings.Category: pyrimidines The information in the text is summarized as follows:

This work describes the microwave assisted synthesis of twelve novel histamine H3 receptor ligands. They display pyrrolo[2,3-d]pyrimidine derivatives with rigidized aliphatic amines as warheads. The compounds were screened for H3R and H4R binding affinities in radioligand displacement assays and the most potent compounds were evaluated for H3R binding properties in vitro and in docking studies. The combination of a rigidized H3R warhead and the pyrrolo[2,3-d]pyrimidine scaffold resulted in selective activity at the H3 receptor with a pKi value of 6.90 for the most potent compound A bipiperidine warhead displayed higher affinity than a piperazine or morpholine motif, while a naphthyl moiety in the arbitrary region increased affinity compared to a Ph derivative The compounds can be starting points for novel, simply synthesized histamine H3 receptor ligands. The experimental part of the paper was very detailed, including the reaction process of 2,4-Dichloro-7H-pyrrolo[2,3-d]pyrimidine(cas: 90213-66-4Category: pyrimidines)

2,4-Dichloro-7H-pyrrolo[2,3-d]pyrimidine(cas: 90213-66-4) 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. Category: pyrimidines

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

COA of Formula: C6H7N3O2SOn March 1, 2005, Du, Miao; Jiang, Xiu-Juan; Zhao, Xiao-Jun published an article in Acta Crystallographica, Section E: Structure Reports Online. The article was 《Diaquabis(2,5-di-3-pyridyl-1,3,4-oxadiazole)dithiocyanatomanganese(II): a three-dimensional supramolecular network formed through O-H···N and C-H···S interactions》. The article mentions the following:

Crystals of the neutral mononuclear title complex are triclinic, space group P1̅, with a 8.1951(19), b 8.762(2), c 10.619(3) Å, α 82.472(3), β 77.181(3), γ 79.873(3)°; Z = 1, dc = 1.494; R = 0.035, w(F2) = 0.099 for 2540 reflections. The structure is centrosym.; the MnII atom lies on an inversion center and is six-coordinate (MnN4O2), with an octahedral geometry comprising two trans monodentate 2,5-di-3-pyridyl-1,3,4-oxadiazole ligands, two thiocyanate ligands and two bound H2O mols. Intermol. O-H···N H bonds between these monomeric units result in two-dimensional supramol. layers with a parallel arrangement, which are stabilized by intralayer aromatic stacking and further extended to a three-dimensional network via interlayer weak C-H···S interactions. The results came from multiple reactions, including the reaction of 4-Amino-2-(methylthio)pyrimidine-5-carboxylic acid(cas: 771-81-3COA of Formula: C6H7N3O2S)

4-Amino-2-(methylthio)pyrimidine-5-carboxylic acid(cas: 771-81-3) belongs to anime. Left-handed and right-handed forms (mirror-image configurations, known as optical isomers or enantiomers) are possible when all the substituents on the central nitrogen atom are different (i.e., the nitrogen is chiral). With amines, there is extremely rapid inversion in which the two configurations are interconverted.COA of Formula: C6H7N3O2S

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

The author of 《Synthesis and Spectral Characterization of New Bis(2-(pyrimidin-2-yl)ethoxy)alkanes and Their Pharmacological Activity》 were Rani, Vangavaragu Jhansi; Aminedi, Raghavendra; Polireddy, Kishore; Jagadeeswarareddy, Kanala. And the article was published in Archiv der Pharmazie (Weinheim, Germany) in 2012. Name: Ethyl 2-(pyrimidin-2-yl)acetate The author mentioned the following in the article:

The pyrimidine nucleus is an important component of nucleic acids (DNA and RNA) and vitamins (B2 and folic acid). It is evident from the literature that pyrimidine derivatives possess a wide spectrum of biol. activities such as antioxidant, anticancer, antibacterial, and anti-inflammatory activities. On the basis of diverse biol. activities, the authors attempted to synthesize a series of novel bis(2-(pyrimidin-2-yl)ethoxy)alkanes 5a-j in four steps with good yields. 2-Chloropyrimidine (1) was reacted with di-Et malonate in the presence of sodium hydride in dry DMF to yield the intermediate di-Et 2-(pyrimidin-2-yl)malonate (2), which on further reaction with sodium chloride and DMSO yielded Et 2-(pyrimidin-2-yl)ethanoate (3). Reduction with sodium borohydride (NaBH4) resulted in the formation of 2-(pyrimidin-2-yl)ethanol (4). This was further reacted with various dibromoalkanes to obtain the title compounds 5a-j. Next, the authors evaluated the antioxidant properties of the title compounds using four in vitro test systems: the 2,2-diphenyl-2-picrylhydrazyl radical-, superoxide radical-, and hydroxyl radical-scavenging assays, and the anti-lipid peroxidation activity test. The title compounds showed promising antioxidant activity when compared to butylated hydroxytoluene. The potency of their antioxidant activity was mainly influenced by the alkyl fragment attached to 2-(pyrimidin-2-yl)ethanol. The Et and Bu fragments linked to oxygen led to increased antioxidant activity of the title compounds (i.e., 5b and 5d) in all the in vitro assays. The results came from multiple reactions, including the reaction of Ethyl 2-(pyrimidin-2-yl)acetate(cas: 63155-11-3Name: Ethyl 2-(pyrimidin-2-yl)acetate)

Ethyl 2-(pyrimidin-2-yl)acetate(cas: 63155-11-3) is a member of pyrimidine. Pyrimidine derivatives are an important class of N-heterocycles. They are well-known for their wide spectrum of promising biological activities such as antitumors, bactericidals, and fungicidal.Name: Ethyl 2-(pyrimidin-2-yl)acetate

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

《5-Nitro-2,4-dichloropyrimidine as an universal model for low-energy electron processes relevant for radiosensitization》 was written by Luxford, Thomas F. M.; Pshenichnyuk, Stanislav A.; Asfandiarov, Nail L.; Perecko, Tomas; Falk, Martin; Kocisek, Jaroslav. Recommanded Product: 3934-20-1 And the article was included in International Journal of Molecular Sciences in 2020. The article conveys some information:

We report exptl. results of low-energy electron interactions with 5-nitro-2,4- dichloropyrimidine isolated in the gas phase and hydrated in a cluster environment. The mol. exhibits a very rare combination of many so far hypothesized low-energy electron induced mechanisms, which may be responsible for synergism in concurrent chemo-radiation therapy of cancer. In contrast to many previous efforts to design an ideal radiosensitizer based on one mode of action, the present model mol. presents an alternative approach, where several modes of action are combined. With respect to the processes induced by the low-energy electrons, this is not a trivial task because of strong bond specificity of the dissociative electron attachment reaction, as it is discussed in the present paper. Unfortunately, low solubility and high toxicity of the mol., as obtained from preliminary MTT assay tests, do not enable further studies of its activity in real biol. systems but it can advantageously serve as a model or a base for rational design of radiosensitizers. The results came from multiple reactions, including the reaction of 2,4-Dichloropyrimidine(cas: 3934-20-1Recommanded Product: 3934-20-1)

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.Recommanded Product: 3934-20-1

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Atkinson, Benjamin N.; Steadman, David; Mahy, William; Zhao, Yuguang; Sipthorp, James; Bayle, Elliott D.; Svensson, Fredrik; Papageorgiou, George; Jeganathan, Fiona; Frew, Sarah; Monaghan, Amy; Bictash, Magda; Jones, E. Yvonne; Fish, Paul V. published an article on February 1 ,2020. The article was titled 《Scaffold-hopping identifies furano[2,3-d]pyrimidine amides as potent Notum inhibitors》, and you may find the article in Bioorganic & Medicinal Chemistry Letters.SDS of cas: 108831-66-9 The information in the text is summarized as follows:

The carboxylesterase Notum is a key neg. regulator of the Wnt signaling pathway by mediating the depalmitoleoylation of Wnt proteins. Our objective was to discover potent small mol. inhibitors of Notum suitable for exploring the regulation of Wnt signaling in the central nervous system. Scaffold-hopping from thienopyrimidine acids 1 and 2, supported by X-ray structure determination, identified 3-methylimidazolin-4-one amides 20-24 as potent inhibitors of Notum with activity across three orthogonal assay formats (biochem., extra-cellular, occupancy). A preferred example 24 demonstrated good stability in mouse microsomes and plasma, and cell permeability in the MDCK-MDR1 assay albeit with modest P-gp mediated efflux. Pharmacokinetic studies with 24 were performed in vivo in mouse with single oral administration of 24 showing good plasma exposure and reasonable CNS penetration. We propose that 24 is a new chem. tool suitable for cellular studies to explore the fundamental biol. of Notum. In the experiment, the researchers used many compounds, for example, 6-Methyl-3H-thieno[2,3-d]pyrimidin-4-one(cas: 108831-66-9SDS of cas: 108831-66-9)

6-Methyl-3H-thieno[2,3-d]pyrimidin-4-one(cas: 108831-66-9) 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.SDS of cas: 108831-66-9

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

In 2016,Michellys, Pierre-Yves; Chen, Bei; Jiang, Tao; Jin, Yunho; Lu, Wenshuo; Marsilje, Thomas H.; Pei, Wei; Uno, Tetsuo; Zhu, Xuefeng; Wu, Baogen; Nguyen, Truc Ngoc; Bursulaya, Badry; Lee, Christian; Li, Nanxin; Kim, Sungjoon; Tuntland, Tove; Liu, Bo; Sun, Frank; Steffy, Auzon; Hood, Tami published 《Design and synthesis of novel selective anaplastic lymphoma kinase inhibitors》.Bioorganic & Medicinal Chemistry Letters published the findings.Quality Control of 2,4-Dichloro-7H-pyrrolo[2,3-d]pyrimidine The information in the text is summarized as follows:

Anaplastic lymphoma kinase (ALK) is a receptor tyrosine kinase belonging to the insulin receptor superfamily. Expression of ALK in normal human tissues is only found in a subset of neural cells, however it is involved in the genesis of several cancers through genetic aberrations involving translocation of the kinase domain with multiple fusion partners (e.g., NPM-ALK in anaplastic large cell lymphoma ALCL or EML4-ALK in non-small cell lung cancer) or activating mutations in the full-length receptor resulting in ligand-independent constitutive activation (e.g., neuroblastoma). Here we are reporting the discovery of novel and selective anaplastic lymphoma kinase inhibitors from specific modifications of the 2,4-diaminopyridine core present in TAE684 and LDK378. Synthesis, structure activity relationships (SAR), absorption, distribution, metabolism, and excretion (ADME) profile, and in vivo efficacy in a mouse xenograft model of anaplastic large cell lymphoma are described. In addition to this study using 2,4-Dichloro-7H-pyrrolo[2,3-d]pyrimidine, there are many other studies that have used 2,4-Dichloro-7H-pyrrolo[2,3-d]pyrimidine(cas: 90213-66-4Quality Control of 2,4-Dichloro-7H-pyrrolo[2,3-d]pyrimidine) was used in this study.

2,4-Dichloro-7H-pyrrolo[2,3-d]pyrimidine(cas: 90213-66-4) 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. Quality Control of 2,4-Dichloro-7H-pyrrolo[2,3-d]pyrimidine

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Safety of 4,6-DichloropyrimidineIn 2019 ,《Synthesis, pharmacological characterization, and structure-activity relationships of non-canonical selective agonists for α7 nAChRs》 appeared in Journal of Medicinal Chemistry. The author of the article were Camacho-Hernandez, Gisela Andrea; Stokes, Clare; Duggan, Brendan M.; Kaczanowska, Katarzyna; Brandao-Araiza, Stefania; Doan, Lisa; Papke, Roger L.; Taylor, Palmer. The article conveys some information:

Noncanonical 2,4,6-substituted pyrimidine analogs were prepared for a structure-activity relationship study. The new lead compounds activate selectively the α7 nAChRs with EC50’s between 30-140 nM in a PNU-120596-dependent, cell-based calcium influx assay. After characterizing the expanded lead landscape, author ranked the compounds for rapid activation using Xenopus oocytes expressing human α7 nAChR with a two-electrode voltage clamp. This approach enabled us to define the mol. determinants governing rapid activation, agonist potency, and desensitization of α7 nAChRs after exposure to pyrimidine analogs, thereby distinguishing this subclass of non-canonical agonists from previously defined types of agonists (agonists, partial agonists, silent agonists, and ago-PAMs). By NMR, author analyzed pKa values for ionization of lead candidates, demonstrating distinctive modes of interaction for this landscape of ligands. In the experiment, the researchers used 4,6-Dichloropyrimidine(cas: 1193-21-1Safety of 4,6-Dichloropyrimidine)

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.Safety of 4,6-Dichloropyrimidine

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

The author of 《A chemoproteomic strategy for direct and proteome-wide covalent inhibitor target-site identification》 were Browne, Christopher M.; Jiang, Baishan; Ficarro, Scott B.; Doctor, Zainab M.; Johnson, Jared L.; Card, Joseph D.; Sivakumaren, Sindhu Carmen; Alexander, William M.; Yaron, Tomer M.; Murphy, Charles J.; Kwiatkowski, Nicholas P.; Zhang, Tinghu; Cantley, Lewis C.; Gray, Nathanael S.; Marto, Jarrod A.. And the article was published in Journal of the American Chemical Society in 2019. Recommanded Product: 2,4-Dichloropyrimidine The author mentioned the following in the article:

Despite recent clin. successes for irreversible drugs, potential toxicities mediated by unpredictable modification of off-target cysteines represents a major hurdle for expansion of covalent drug programs. Understanding the proteome-wide binding profile of covalent inhibitors can significantly accelerate their development; however, current mass spectrometry strategies typically do not provide a direct, amino acid level readout of covalent activity for complex, selective inhibitors. Here we report the development of CITe-Id, a novel chemoproteomic approach that employs covalent pharmacol. inhibitors as enrichment reagents in combination with an optimized proteomic platform to directly quantify dose-dependent binding at cysteine-thiols across the proteome. CITe-Id anal. of our irreversible CDK inhibitor THZ1 identified dose-dependent covalent modification of several unexpected kinases, including a previously unannotated cysteine (C840) on the understudied kinase PKN3. These data streamlined our development of JZ128 as a new selective covalent inhibitor of PKN3. Using JZ128 as a probe compound, we identified novel potential PKN3 substrates, thus offering an initial mol. view of PKN3 cellular activity. CITe-Id provides a powerful complement to current chemoproteomic platforms to characterize the selectivity of covalent inhibitors, identify new, pharmacol. addressable cysteine-thiols, and inform structure-based drug design programs. After reading the article, we found that the author used 2,4-Dichloropyrimidine(cas: 3934-20-1Recommanded Product: 2,4-Dichloropyrimidine)

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.Recommanded Product: 2,4-Dichloropyrimidine

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

In 2016,Kim, Juae; Shim, Joo Young; Lee, Jihoon; Lee, Dal Yong; Chae, Sangmin; Kim, Jinwoo; Kim, Il; Kim, Hyo Jung; Park, Sung Heum; Suh, Hongsuk published 《Syntheses of pyrimidine-based polymers containing electron-withdrawing substituent with high open circuit voltage and applications for polymer solar cells》.Journal of Polymer Science, Part A: Polymer Chemistry published the findings.Related Products of 3764-01-0 The information in the text is summarized as follows:

Polymers using new electron-deficient units, 2-pyriminecarbonitrile and 2-fluoropyrimidine, were synthesized and utilized for the photovoltaics. Donor-acceptor (D-A) types of conjugated polymers (PBDTCN, PBDTTCN, PBDTF, and PBDTTF) containing 4,8-bis(2-octyldodecyloxy)benzo[1,2-b;3,4-b’]dithiophene (BDT) or 4,8-bis(5-(2-octyldodecyloxy)thiophen-2-yl)benzo[1,2-b:4,5-b’]dithiophene (BDTT) as electron rich unit and 2-pyriminecarbonitrile or 2-fluoropyrimidine as electron deficient unit were synthesized. We designed pyrimidine derivatives in which strong electron-withdrawing group (CN or fluorine) was introduced to the C2 position for the generation of strong electron-deficient property. By the combination with the electron-rich unit, the pyrimidines will provide low band gap polymers with low HOMO energy levels for higher open-circuit voltages (VOC). For the syntheses of the polymers, the electron-rich and the electron-deficient units were combined by Stille coupling reaction with Pd(0)-catalyst. Absorption spectra of the thin films of PBDTTCN and PBDTTF with BDTT unit show shift to a longer wavelength region than PBDTCN and PBDTF with BDT unit. Four synthesized polymers provided low electrochem. bandgaps of 1.56 to 1.96 eV and deep HOMO energy levels between -5.67 and -5.14 eV. © 2015 The Authors. Journal of Polymer Science Part A: Polymer Chem. Published by Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2015. The results came from multiple reactions, including the reaction of 2,4,6-Trichloropyrimidine(cas: 3764-01-0Related Products of 3764-01-0)

2,4,6-Trichloropyrimidine(cas: 3764-01-0) 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.Related Products of 3764-01-0

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia