Tag: 100-200

The author of 《Useful preparations involving the reactions of nucleophiles with trimethylammonio derivatives of nitrogen heterocycles》 were Barlin, G. B.; Young, A. C.. And the article was published in Journal of the Chemical Society in 1972. Quality Control of 2-Methoxy-5-nitropyrimidine The author mentioned the following in the article:

Alkoxy, amino, propylamino, hydrazino, mercapto, fluoro, and cyano derivatives of pyridine, pyrimidine, quinoline, quinazoline, and purine were prepared by treatment of the corresponding trimethylammonio compound with the appropriate nucleophile; thus, 71% 4-(propyl-amino)pyrimidine was prepared from trimethyl-4-pyrimidinyl-ammonium salt and PrNH2. In the part of experimental materials, we found many familiar compounds, such as 2-Methoxy-5-nitropyrimidine(cas: 14001-69-5Quality Control of 2-Methoxy-5-nitropyrimidine)

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.Quality Control of 2-Methoxy-5-nitropyrimidine

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Quality Control of 3-(Pyrimidin-5-yl)benzaldehydeOn March 10, 2016, Wu, Yong-Jin; Guernon, Jason; Yang, Fukang; Snyder, Lawrence; Shi, Jianliang; McClure, Andrea; Rajamani, Ramkumar; Park, Hyunsoo; Ng, Alicia; Lewis, Hal; Chang, Chieh Ying; Camac, Dan; Toyn, Jeremy H.; Ahlijanian, Michael K.; Albright, Charles F.; Macor, John E.; Thompson, Lorin A. published an article in ACS Medicinal Chemistry Letters. The article was 《Targeting the BACE1 Active Site Flap Leads to a Potent Inhibitor That Elicits Robust Brain Aβ Reduction in Rodents》. The article mentions the following:

By targeting the flap backbone of the BACE1 active site, the authors discovered 6-dimethylisoxazole-substituted biaryl aminothiazine I with 34-fold improved BACE1 inhibitory activity over the lead compound The cocrystal structure of I bound to the active site indicated two hydrogen-bond interactions between the dimethylisoxazole and threonine 72 and glutamine 73 of the flap. Incorporation of the dimethylisoxazole substitution onto the related aminothiazine carboxamide series led to pyrazine-carboxamide II as a very potent BACE1 inhibitor (IC50 < 1 nM). This compound demonstrated robust brain Aβ reduction in rat dose-response studies. Thus, compound II may be useful in testing the amyloid hypothesis of Alzheimer's disease. The experimental process involved the reaction of 3-(Pyrimidin-5-yl)benzaldehyde(cas: 640769-70-6Quality Control of 3-(Pyrimidin-5-yl)benzaldehyde)

3-(Pyrimidin-5-yl)benzaldehyde(cas: 640769-70-6) 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 3-(Pyrimidin-5-yl)benzaldehyde

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

In 2018,Journal of Physical Organic Chemistry included an article by Yuan, Hua; Li, Meng-Yang; Chen, Chun-Ni; Zhang, Yan; Liu, Wan-Qiang. Recommanded Product: 14001-69-5. The article was titled 《Substituent effects on the UV absorption energy of 2,5-disubstituted pyrimidines》. The information in the text is summarized as follows:

Pyrimidine-containing mols. have been extensively investigated in organic light emitting devices (OLEDs), solar cells, liquid crystals, and so on due to their perfect photoelec. properties. UV absorption is one of the interesting photoelec. properties. Systematical study of the substituent effects on the UV absorption energy of pyrimidine derivatives will guide to design functional mols. with specific photoelec. properties. In this paper, thirty-seven 2-X-5-Y pyrimidines with various substituents (X/Y=NH2, CH3, OCH3, NMe2, CF3, NO2, Cl, Br, I) were synthesized, and their UV spectra were recorded in anhydrous ethanol. The maximum absorption wavelength λmax(nm) were obtained and converted to wavenumber νmax(cm-1) (νmax = 1/λmax) for quant. structure-property relationship study. Hammett parameters (σ, σF, σR), electronegativity (χ), the excited-state substituent effect parameter (σCCex), and the heavy atom effect indicator (D) were employed as descriptors characterizing the mol. structure. By stepwise regression, a 5-descriptor linear regression model was built as νmax = 35 864.8122 + 6743.7901σR(X) + 8587.9937σR(Y) – 2042.7280Δσ2 + 1106.0034D(X) + 1451.8873χ(X) (R = 0.9861, S = 693.70, ARD = 1.49%, F = 218.68, Rcv = 0.9775, Scv = 881.25, ARDcv = 1.82%, n = 37). The model is proved of good stability and predictive performance by leave-one-out cross validation. Compared with the benzylideneaniline derivatives with CN bridge group, the substituent effects on the UV absorption energy of 2,5-disubstituted pyrimidines are quite different and much more complex. In the experiment, the researchers used 2-Methoxy-5-nitropyrimidine(cas: 14001-69-5Recommanded Product: 14001-69-5)

2-Methoxy-5-nitropyrimidine(cas: 14001-69-5) is a member of ether. Friedel Crafts reaction, for example, adds an alkyl or acyl group to aromatic ethers when they react with an alkyl or acyl halide in the presence of a Lewis acid as a catalyst.Recommanded Product: 14001-69-5

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

In 1977,Chemical & Pharmaceutical Bulletin included an article by Kato, Tetsuo; Oda, Noriichi; Ito, Isoo. Reference of 2-Methoxy-6-methylpyrimidin-4-amine. The article was titled 《Synthesis of compounds related to antitumor agents. VI. The conversion of 2,4-dialkoxypyrimidines into N-dialkyl-1,2,3,4-tetrahydro-2,4-dioxopyrimidines in the presence of p-toluenesulfonic acid derivatives》. The information in the text is summarized as follows:

Twelve 2,4-dialkoxypyrimidines I (R1 = Me, Et, Pr, allyl; R2 = Me, H; R3 = H, Br) were converted into 1,3-dialkyl-1,2,3,4-tetrahydro-2,4-dioxopyrimidines II by heating in the presence of p-MeC6H4SO3H or its derivatives, whereas III under similar conditions gave IV and V. In addition to this study using 2-Methoxy-6-methylpyrimidin-4-amine, there are many other studies that have used 2-Methoxy-6-methylpyrimidin-4-amine(cas: 51870-75-8Reference of 2-Methoxy-6-methylpyrimidin-4-amine) was used in this study.

2-Methoxy-6-methylpyrimidin-4-amine(cas: 51870-75-8) belongs to anime. Acylation is one of the most important reactions of primary and secondary amines; a hydrogen atom is replaced by an acyl group (a group derived from an acid, such as RCOOH or RSO3H, by removal of ―OH, such as RC(=O)―, RS(O)2―, and so on). Reagents may be acid chlorides (RCOC1, RSO2C1), anhydrides ((RCO)2O), or even esters (RCOOR′); the products are amides of the corresponding acids.Reference of 2-Methoxy-6-methylpyrimidin-4-amine

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

In 1966,Journal of Organic Chemistry included an article by Temple, Carroll Jr.; Montgomery, John A.. Formula: C6H7Cl2N3. The article was titled 《Some unusual reactions of 6-chloropurines with thioureas. 6-Alkylthiopurines and 2,2-diamino-2H-thiazolo[3,4,5-gh]purines from 2-(purin-6-yl)-2-thiopseudoureas》. The information in the text is summarized as follows:

Reaction of 6-chloropurine (I) with thiourea gave, in addition to purine-6(1H)-thione (II), 2,2-diamino-2H-thiazolo[3,4,5-gh]purine (III). 1-Ethyl-2-thiourea and I provided the corresponding ethyl derivative of III. From the reaction of 6-chloro-2-ethylpurine and thiourea in PrOH, 2-ethylpurine-6(1 H)-thione, 2,2-diamino-7-ethyl-2H-thiazolo[3,4,5-gh]purine, and 2-ethyl-6-(propylthio)purine (IV) were obtained, the formation of IV resulting from solvent participation. 6-Chloro-2,9-diethylpurine and thiourea in PrOH gave 2,9-diethyl-2-(propylthio)purine as a major component. Treatment of I, 2,6-dichloropurine, and 2-amino-6-chloropurine with 2-imidazolidinethione gave the corresponding 6-(2-imidazolinylthio)purine hydrochlorides (V, VI, and VII), resp. The free base of V and VI but not of VII appeared to form derivatives of III by intramol. addition Basic hydrolysis converted V to II, VI to 2-chlorohypoxanthine, and VII to thioguanine containing a trace of guanine. The results came from multiple reactions, including the reaction of 4,6-Dichloro-2-ethylpyrimidin-5-amine(cas: 6237-96-3Formula: C6H7Cl2N3)

4,6-Dichloro-2-ethylpyrimidin-5-amine(cas: 6237-96-3) belongs to anime. Nitrous acid converts secondary amines (aliphatic or aromatic) to N-nitroso compounds (nitrosamines): R2NH + HNO2 → R2N―NO. Some nitrosamines are potent cancer-inducing substances, and their possible formation is a serious consideration when nitrites, which are salts of nitrous acid, are present in foods or pharmaceutical preparations. Tertiary amines give rise to nitrosamines more slowly; an alkyl group is eliminated as an aldehyde or ketone, along with nitrous oxide, N2O.Formula: C6H7Cl2N3

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

《Tuning nuclear receptor selectivity of Wy14,643 towards selective retinoid X receptor modulation》 was written by Pollinger, Julius; Gellrich, Leonie; Schierle, Simone; Kilu, Whitney; Schmidt, Jurema; Kalinowsky, Lena; Ohrndorf, Julia; Kaiser, Astrid; Heering, Jan; Proschak, Ewgenij; Merk, Daniel. Electric Literature of C4HCl3N2This research focused onWy14643 retinoid x receptor pharmacokinetics. The article conveys some information:

The fatty acid sensing nuclear receptor families retinoid X receptors (RXRs) and peroxisome proliferator-activated receptors (PPARs) hold therapeutic potential in neurodegeneration. Valuable pleiotropic activities of Wy14,643 (I) in models of such conditions exceed its known PPAR agonistic profile. Here, we characterize the compound as an RXR agonist explaining the pleiotropic effects and report its systematic structure-activity relationship anal. with the discovery of specific mol. determinants driving activity on PPARs and RXRs. We have designed close analogs of the drug comprising selective and dual agonism on RXRs and PPARs that may serve as superior pharmacol. tools to study the role and interplay of the nuclear receptors in various pathologies. A systematically optimized high potency RXR agonist (II) revealed activity in vivo and active concentrations in brain. With its lack of RXR/liver X receptor-mediated side effects and superior profile compared to classical rexinoids, it establishes a new class of innovative RXR modulators to overcome key challenges in RXR targeting drug discovery. The results came from multiple reactions, including the reaction of 2,4,6-Trichloropyrimidine(cas: 3764-01-0Electric Literature of C4HCl3N2)

2,4,6-Trichloropyrimidine(cas: 3764-01-0) 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.Electric Literature of C4HCl3N2

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Recommanded Product: 3934-20-1In 2021 ,《Discovery of ASTX029, A Clinical Candidate Which Modulates the Phosphorylation and Catalytic Activity of ERK1/2》 was published in Journal of Medicinal Chemistry. The article was written by Heightman, Tom D.; Berdini, Valerio; Bevan, Luke; Buck, Ildiko M.; Carr, Maria G.; Courtin, Aurelie; Coyle, Joseph E.; Day, James E. H.; East, Charlotte; Fazal, Lynsey; Griffiths-Jones, Charlotte M.; Howard, Steven; Kucia-Tran, Justyna; Martins, Vanessa; Muench, Sandra; Munck, Joanne M.; Norton, David; O’Reilly, Marc; Palmer, Nicholas; Pathuri, Puja; Peakman, Torren M.; Reader, Michael; Rees, David C.; Rich, Sharna J.; Shah, Alpesh; Wallis, Nicola G.; Walton, Hugh; Wilsher, Nicola E.; Woolford, Alison J.-A.; Cooke, Michael; Cousin, David; Onions, Stuart; Shannon, Jonathan; Watts, John; Murray, Christopher W.. The article contains the following contents:

Aberrant activation of the mitogen-activated protein kinase pathway frequently drives tumor growth, and the ERK1/2 kinases are positioned at a key node in this pathway, making them important targets for therapeutic intervention. Recently, a number of ERK1/2 inhibitors have been advanced to investigational clin. trials in patients with activating mutations in B-Raf proto-oncogene or Ras. Here, we describe the discovery of the clin. candidate ASTX029 (15)(I) through structure-guided optimization of our previously published isoindolinone lead (7). The medicinal chem. campaign focused on addressing CYP3A4-mediated metabolism and maintaining favorable physicochem. properties. These efforts led to the identification of ASTX029, which showed the desired pharmacol. profile combining ERK1/2 inhibition with suppression of phospho-ERK1/2 (pERK) levels, and in addition, it possesses suitable preclin. pharmacokinetic properties predictive of once daily dosing in humans. ASTX029 is currently in a phase I-II clin. trial in patients with advanced solid tumors. In the experimental materials used by the author, we found 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 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.Recommanded Product: 3934-20-1

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Related Products of 3764-01-0In 2016 ,《Trisubstituted Pyrimidines as Efficacious and Fast-Acting Antimalarials》 appeared in Journal of Medicinal Chemistry. The author of the article were Norcross, Neil R.; Baragana, Beatriz; Wilson, Caroline; Hallyburton, Irene; Osuna-Cabello, Maria; Norval, Suzanne; Riley, Jennifer; Stojanovski, Laste; Simeons, Frederick R. C.; Porzelle, Achim; Grimaldi, Raffaella; Wittlin, Sergio; Duffy, Sandra; Avery, Vicky M.; Meister, Stephan; Sanz, Laura; Jimenez-Diaz, Belen; Angulo-Barturen, Inigo; Ferrer, Santiago; Martinez, Maria Santos; Gamo, Francisco Javier; Frearson, Julie A.; Gray, David W.; Fairlamb, Alan H.; Winzeler, Elizabeth A.; Waterson, David; Campbell, Simon F.; Willis, Paul; Read, Kevin D.; Gilbert, Ian H.. The article conveys some information:

In this paper we describe the optimization of a phenotypic hit against Plasmodium falciparum, based on a trisubstituted pyrimidine scaffold. This led to compounds with good pharmacokinetics and oral activity in a P. berghei mouse model of malaria. The most promising compound I showed a reduction in parasitemia of 96% when dosed at 30 mg/kg orally once a day for 4 days in the P. berghei mouse model of malaria. It also demonstrated a rapid rate of clearance of the erythrocytic stage of P. falciparum in the SCID mouse model with an ED90 of 11.7 mg/kg when dosed orally. Unfortunately, the compound is a potent inhibitor of cytochrome P 450 enzymes, probably due to a 4-pyridyl substituent. Nevertheless, this is a lead mol. with a potentially useful antimalarial profile, which could either be further optimized or be used for target hunting.2,4,6-Trichloropyrimidine(cas: 3764-01-0Related Products of 3764-01-0) was used in this study.

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

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

In 2022,Boffey, Helen K.; Rooney, Timothy P. C.; Willems, Henriette M. G.; Edwards, Simon; Green, Christopher; Howard, Tina; Ogg, Derek; Romero, Tamara; Scott, Duncan E.; Winpenny, David; Duce, James; Skidmore, John; Clarke, Jonathan H.; Andrews, Stephen P. published an article in Journal of Medicinal Chemistry. The title of the article was 《Development of Selective Phosphatidylinositol 5-Phosphate 4-Kinase γ Inhibitors with a Non-ATP-competitive, Allosteric Binding Mode》.HPLC of Formula: 90213-66-4 The author mentioned the following in the article:

Phosphatidylinositol 5-phosphate 4-kinases (PI5P4Ks) are emerging as attractive therapeutic targets in diseases, such as cancer, immunol. disorders, and neurodegeneration, owing to their central role in regulating cell signaling pathways that are either dysfunctional or can be modulated to promote cell survival. Different modes of binding may enhance inhibitor selectivity and reduce off-target effects in cells. Here, we describe efforts to improve the physicochem. properties of the selective PI5P4Kγ inhibitor, NIH-12848 (1). These improvements enabled the demonstration that this chemotype engages PI5P4Kγ in intact cells and that compounds from this series do not inhibit PI5P4Kα or PI5P4Kβ. Furthermore, the first X-ray structure of PI5P4Kγ bound to an inhibitor has been determined with this chemotype, confirming an allosteric binding mode. An exemplar from this chem. series adopted two distinct modes of inhibition, including through binding to a putative lipid interaction site which is 18 Å from the ATP pocket.2,4-Dichloro-7H-pyrrolo[2,3-d]pyrimidine(cas: 90213-66-4HPLC of Formula: 90213-66-4) was used in this study.

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. HPLC of Formula: 90213-66-4

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

In 2022,Hopkins, Brian T.; Bame, Eris; Bajrami, Bekim; Black, Cheryl; Bohnert, Tonika; Boiselle, Carrie; Burdette, Doug; Burns, Jeremy C.; Delva, Luisette; Donaldson, Douglas; Grater, Richard; Gu, Chungang; Hoemberger, Marc; Johnson, Josh; Kapadnis, Sudarshan; King, Kris; Lulla, Mukesh; Ma, Bin; Marx, Isaac; Magee, Tom; Meissner, Robert; Metrick, Claire M.; Mingueneau, Michael; Murugan, Paramasivam; Otipoby, Kevin L.; Polack, Evelyne; Poreci, Urjana; Prince, Robin; Roach, Allie M.; Rowbottom, Chris; Santoro, Joseph C.; Schroeder, Patricia; Tang, Hao; Tien, Eric; Zhang, Fengmei; Lyssikatos, Joseph published an article in Journal of Medicinal Chemistry. The title of the article was 《Discovery and Preclinical Characterization of BIIB091, a Reversible, Selective BTK Inhibitor for the Treatment of Multiple Sclerosis》.Application In Synthesis of 2,4-Dichloropyrimidine The author mentioned the following in the article:

Multiple Sclerosis is a chronic autoimmune neurodegenerative disorder of the central nervous system (CNS) that is characterized by inflammation, demyelination, and axonal injury leading to permeant disability. In the early stage of MS, inflammation is the primary driver of the disease progression. There remains an unmet need to develop high efficacy therapies with superior safety profiles to prevent the inflammation processes leading to disability. Herein, we describe the discovery of BIIB091 (I), a structurally distinct orthosteric ATP competitive, reversible inhibitor that binds the BTK protein in a DFG-in confirmation designed to sequester Tyr-551, an important phosphorylation site on BTK, into an inactive conformation with excellent affinity. Preclin. studies demonstrated BIB091 to be a high potency mol. with good drug-like properties and a safety/tolerability profile suitable for clin. development as a highly selective, reversible BTKi for treating autoimmune diseases such as MS. In the experiment, the researchers used 2,4-Dichloropyrimidine(cas: 3934-20-1Application In Synthesis 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.Application In Synthesis of 2,4-Dichloropyrimidine

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia