Day: October 13, 2022

《Photocatalytic trifluoromethoxylation of arenes and heteroarenes in continuous-flow》 was written by Nyuchev, Alexander V.; Wan, Ting; Cendon, Borja; Sambiagio, Carlo; Struijs, Job J. C.; Ho, Michelle; Gulias, Moises; Wang, Ying; Noe, Timothy. Computed Properties of C4HCl3N2This research focused ontrifluoromethoxy arene preparation; arene benzotriazolium trifluoromethanesulfonate photocatalytic trifluoromethoxylation; C–H functionalization; continuous-flow; organic synthesis; photoredox catalysis; trifluoromethoxylation. The article conveys some information:

The first example of photocatalytic trifluoromethoxylation of arenes and heteroarenes, e.g., I under continuous-flow conditions is described. Application of continuous-flow microreactor technol. allowed to reduce the residence time up to 16 times in comparison to the batch procedure, while achieving similar or higher yields. In addition, the use of inorganic bases was demonstrated to increase the reaction yield under batch conditions. The experimental part of the paper was very detailed, including the reaction process of 2,4,6-Trichloropyrimidine(cas: 3764-01-0Computed Properties 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.Computed Properties of C4HCl3N2

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

《SVM Model for Virtual Screening of Lck Inhibitors》 was written by Liew, Chin Y.; Ma, Xiao H.; Liu, Xianghui; Yap, Chun W.. Related Products of 213743-31-8 And the article was included in Journal of Chemical Information and Modeling on April 30 ,2009. The article conveys some information:

Lymphocyte-specific protein tyrosine kinase (Lck) inhibitors have treatment potential for autoimmune diseases and transplant rejection. A support vector machine (SVM) model trained with 820 pos. compounds (Lck inhibitors) and 70 neg. compounds (Lck noninhibitors) combined with 65 142 generated putative negatives was developed for predicting compounds with a Lck inhibitory activity of IC50 ≤ 10 μM. The SVM model, with an estimated sensitivity of greater than 83% and specificity of greater than 99%, was used to screen 168 014 compounds in the MDDR and was found to have a yield of 45.8% and a false pos. rate of 0.52%. The model was also able to identify novel Lck inhibitors and distinguish inhibitors from structurally similar noninhibitors at a false pos. rate of 0.27%. To the best of our knowledge, the SVM model developed in this work is the first model with a broad applicability domain and low false pos. rate, which makes it very suitable for the virtual screening of chem. libraries for Lck inhibitors. The results came from multiple reactions, including the reaction of 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 derivatives also play an important role in drug development, either in concert with other compounds or on their own. Related Products of 213743-31-8They 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

Safety of 3-(Pyrimidin-5-yl)benzaldehydeOn October 15, 2013 ,《The synthesis and SAR study of phenylalanine-derived (Z)-5-arylmethylidene rhodanines as anti-methicillin-resistant Staphylococcus aureus (MRSA) compounds》 was published in Bioorganic & Medicinal Chemistry Letters. The article was written by Patel, Bhargav A.; Ashby, Charles R.; Hardej, Diane; Talele, Tanaji T.. The article contains the following contents:

A focused library of rhodanine compounds containing novel substituents at the C5-position was synthesized and tested in vitro against a panel of clin. relevant MRSA strains. The present SAR study was based on our lead compound I (Ar = 3-phenoxyphenyl) (MIC = 1.95 μg/mL), with a focus on identifying optimal C5-arylidene substituents. In order to obtain this objective, we condensed several unique aromatic aldehydes with phenylalanine-derived rhodanine intermediates to obtain C5-substituted target rhodanine compounds for evaluation as anti-MRSA compounds These efforts produced three compounds with significant efficacy: I [Ar = 3-(3,4-dichloro)phenoxyphenyl, 3-biphenyl] and II with MIC values ranging from 0.98 to 1.95 μg/mL against all tested MRSA strains as compared to the reference antibiotics penicillin G (MIC = 15.60-250.0 μg/mL) and ciprofloxacin (MIC = 7.80-62.50 μg/mL) and comparable to that of vancomycin (MIC = 0.48 μg/mL). In addition, several other compounds (MIC = 1.95-3.90 μg/mL) were efficacious against all MRSA strains. The majority of the synthesized compounds had bactericidal activity at concentrations only two to fourfold higher than their MIC. Overall, the results suggest that compounds I [Ar = 3-(3,4-dichloro)phenoxyphenyl, 3-biphenyl] and II may be of potential use in the treatment of MRSA infections. The experimental part of the paper was very detailed, including the reaction process of 3-(Pyrimidin-5-yl)benzaldehyde(cas: 640769-70-6Safety of 3-(Pyrimidin-5-yl)benzaldehyde)

3-(Pyrimidin-5-yl)benzaldehyde(cas: 640769-70-6) belongs to pyrimidine. Pyrimidine derivatives also play an important role in drug development, either in concert with other compounds or on their own. Safety of 3-(Pyrimidin-5-yl)benzaldehydeThey 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

Cooper, Julian C.; Luo, Chaosheng; Kameyama, Ryohei; Van Humbeck, Jeffrey F. published an article on January 31 ,2018. The article was titled 《Combined Iron/Hydroxytriazole Dual Catalytic System for Site Selective Oxidation Adjacent to Azaheterocycles》, and you may find the article in Journal of the American Chemical Society.Safety of 5-Bromo-4-ethylpyrimidine The information in the text is summarized as follows:

This report details a new method for site-selective methylene oxidation adjacent to azaheterocycles. A dual catalysis approach, utilizing both an iron Lewis acid and an organic hydroxylamine catalyst, proved highly effective. We demonstrate that this method provides complementary selectivity to other known catalytic approaches and represents an improvement over current heterocycle-selective reactions that rely on stoichiometric activation. After reading the article, we found that the author used 5-Bromo-4-ethylpyrimidine(cas: 951884-36-9Safety of 5-Bromo-4-ethylpyrimidine)

5-Bromo-4-ethylpyrimidine(cas: 951884-36-9) 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.Safety of 5-Bromo-4-ethylpyrimidine

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Sharma, Ashok K.; Wen, Lian; Hall, Larry R.; Allan, John G.; Clark, Brett J. published an article in Journal of Agricultural and Food Chemistry. The title of the article was 《Metabolism of Pyrithiobac Sodium in Soils and Sediment, Addressing Bound Residues via Kinetics Modeling》.Related Products of 29458-38-6 The author mentioned the following in the article:

Degradation of pyrithiobac sodium (PE350) was examined in a number of soils and sediments using 14C-PE350. It degrades primarily via microbial degradation which leads to the separation of the two rings of the mol. Identification of several metabolites, many of which were minor products, helped to understand the formation of nonextractable residues (NER) and 14CO2. In all studies, unextractable residues accounted for a large portion (20-60%) of the residues. Traditional kinetics modeling treats NER and CO2 as a single compartment, stated as sink, and formation mechanism of such components individually is ignored. Since studies conducted with radiolabeled test substance provides an accurate measurement of NER and CO2, we have demonstrated that kinetics modeling with these compartments sep. can be used to clarify degradation pathways, including the origin of NER and CO2. This work demonstrated that overall metabolism in soils and sediments proceeded via similar pathways, and kinetics modeling was useful in clarifying the degradation route and formation of NER in all studies. In the experimental materials used by the author, we found 6-Methoxypyrimidine-2,4(1H,3H)-dione(cas: 29458-38-6Related Products of 29458-38-6)

6-Methoxypyrimidine-2,4(1H,3H)-dione(cas: 29458-38-6) 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.Related Products of 29458-38-6

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

The author of 《Benzylic Fluorination of Aza-Heterocycles Induced by Single-Electron Transfer to Selectfluor》 were Danahy, Kelley E.; Cooper, Julian C.; Van Humbeck, Jeffrey F.. And the article was published in Angewandte Chemie, International Edition in 2018. HPLC of Formula: 951884-36-9 The author mentioned the following in the article:

A selective and mild method for the benzylic fluorination of aromatic azaheterocycles with Selectfluor is described. These reactions take place by a previously unreported mechanism, in which electron transfer from the heterocyclic substrate to the electrophilic fluorinating agent Selectfluor eventually yields a benzylic radical, thus leading to the desired C-F bond formation. This mechanism enables high intra- and intermol. selectivity for aza-heterocycles over other benzylic components with similar C-H bond-dissociation energies. After reading the article, we found that the author used 5-Bromo-4-ethylpyrimidine(cas: 951884-36-9HPLC of Formula: 951884-36-9)

5-Bromo-4-ethylpyrimidine(cas: 951884-36-9) 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.HPLC of Formula: 951884-36-9

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

In 2008,Gillespie, Roger J.; Cliffe, Ian A.; Dawson, Claire E.; Dourish, Colin T.; Gaur, Suneel; Jordan, Allan M.; Knight, Antony R.; Lerpiniere, Joanne; Misra, Anil; Pratt, Robert M.; Roffey, Jonathan; Stratton, Gemma C.; Upton, Rebecca; Weiss, Scott M.; Williamson, Douglas S. published 《Antagonists of the human adenosine A2A receptor. Part 3: Design and synthesis of pyrazolo[3,4-d]pyrimidines, pyrrolo[2,3-d]pyrimidines and 6-arylpurines》.Bioorganic & Medicinal Chemistry Letters published the findings.COA of Formula: C6H3Cl2N3 The information in the text is summarized as follows:

A series of pyrazolo[3,4-d]pyrimidine, pyrrolo[2,3-d]pyrimidine and 6-arylpurine adenosine A2A antagonists is described. Many examples were highly selective against the human A1 receptor sub-type and were active in an in vivo model of Parkinson’s disease. In the experimental materials used by the author, we found 2,4-Dichloro-7H-pyrrolo[2,3-d]pyrimidine(cas: 90213-66-4COA of Formula: C6H3Cl2N3)

2,4-Dichloro-7H-pyrrolo[2,3-d]pyrimidine(cas: 90213-66-4) belongs to pyrimidine. Pyrimidine derivatives also play an important role in drug development, either in concert with other compounds or on their own. COA of Formula: C6H3Cl2N3They 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 2016,Hammer, Sebastian G.; Gobleder, Susanne; Naporra, Franziska; Wittmann, Hans-Joachim; Elz, Sigurd; Heinrich, Markus R.; Strasser, Andrea published 《2,4-Diaminopyrimidines as dual ligands at the histamine H1 and H4 receptor-H1/H4-receptor selectivity》.Bioorganic & Medicinal Chemistry Letters published the findings.Formula: C4HCl3N2 The information in the text is summarized as follows:

Distinct diaminopyrimidines, for example, 4-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine are histamine H4 receptor (H4R) antagonists and show high affinity to the H4R, but only a moderate affinity to the histamine H1 receptor (H1R). Within previous studies it was shown that an aromatic side chain with a distinct distance to the basic amine and aromatic core is necessary for affinity to the human H1R (hH1R). Thus, a rigid aminopyrimidine with a tricyclic core was used as a lead structure. There, (1) the flexible aromatic side chain was introduced, (2) the substitution pattern of the pyrimidine core was exchanged and (3) rigidity was decreased by opening the tricyclic core. Within the present study, two compounds with similar affinity in the one digit μM range to the human H1R and H4R were identified. While the affinity at the hH1R increased about 4- to 8-fold compared to the parent diaminopyrimidine, the affinity to the hH4R decreased about 5- to 8-fold. In addition to the parent diaminopyrimidine, two selected compounds were docked into the H1R and H4R and mol. dynamic studies were performed to predict the binding mode and explain the exptl. results on a mol. level. The two new compounds may be good lead structures for the development of dual H1/H4 receptor ligands with affinities in the same range. The experimental process involved the reaction of 2,4,6-Trichloropyrimidine(cas: 3764-01-0Formula: C4HCl3N2)

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.Formula: C4HCl3N2

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

In 2019,Bioorganic & Medicinal Chemistry Letters included an article by Wormald, Michael M.; Ernst, Glen; Wei, Huijun; Barrow, James C.. Synthetic Route of C6H3Cl2N3. The article was titled 《Synthesis and characterization of novel isoform-selective IP6K1 inhibitors》. The information in the text is summarized as follows:

Diaminopurines and diaminopurine analogs such as (methoxyindolylethylamino)purine I were prepared as selective inositol hexakisphosphate kinases (IP6K) inhibitors. Selected diaminopurines such as I were selective inhibitors of IP6K1 over IP6K2 and IP6K3; I was a more potent inhibitor of IP6K1 and was more water-soluble than the previously known pan-IP6K inhibitor TNP. The experimental part of the paper was very detailed, including the reaction process of 2,4-Dichloro-7H-pyrrolo[2,3-d]pyrimidine(cas: 90213-66-4Synthetic Route 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. Synthetic Route of C6H3Cl2N3

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

《A novel one-pot and efficient procedure for synthesis of new fused uracil derivatives for DNA binding》 was written by Mousa, Bothaina A.; Bayoumi, Ashraf H.; Korraa, Makarem M.; Assy, Mohamed G.; El-Kalyoubi, Samar A.. Electric Literature of C4HCl3N2This research focused onxanthine arylidineaniline indenopyrrolopyrimidine indenopteridine ninhydrin DNA damage nucleobase; hydrazone oxidative cyclization thionyl chloride pyrazolopyrimidine nitrosation aminouracil; DNA uracil fused synthesis hydrazinolysis chloromethyluracil condensation aromatic aldehyde. The article conveys some information:

Hydrazinolysis of 6-chloro-1-methyluracil followed by condensation of the product with different aromatic aldehyde gives the resp. hydrazones which undergoes oxidative cyclization using thionyl chloride to obtain pyrazolo[3,4-d]pyrimidines in good yields. On the other hand, nitrosation of 6-aminouracils followed by the reaction with different arylidineanilines gives new xanthine derivatives Finally, indenopyrrolopyrimidine and indenopteridine are obtained in good yields via the reaction of 6-aminouracils and 5,6-diaminouracil with ninhydrin resp. The newly synthesized compounds show binding, chelation and fragmentation of the nucleic acid DNA. The experimental part of the paper was very detailed, including the reaction process 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