Month: October 2022

Application of 3934-20-1In 2020 ,《Design of new quinolin-2-one-pyrimidine hybrids as sphingosine kinases inhibitors》 appeared in Bioorganic Chemistry. The author of the article were Vettorazzi, Marcela; Insuasty, Daniel; Lima, Santiago; Gutierrez, Lucas; Nogueras, Manuel; Marchal, Antonio; Abonia, Rodrigo; Andujar, Sebastian; Spiegel, Sarah; Cobo, Justo; Enriz, Ricardo D.. The article conveys some information:

Sphingosine-1-phosphate is now emerging as an important player in cancer, inflammation, autoimmune, neurol. and cardiovascular disorders. Abundance evidence in animal and humans cancer models has shown that SphK1 is linked to cancer. Thus, there is a great interest in the development new SphK1 inhibitors as a potential new treatment for cancer. In a search for new SphK1 inhibitors we selected the well-known SKI-II inhibitor as the starting structure and we synthesized a new inhibitor structurally related to SKI-II with a significant but moderate inhibitory effect. In a second approach, based on our mol. modeling results, we designed new structures based on the structure of PF-543, the most potent known SphK1 inhibitor. Using this approach, we report the design, synthesis and biol. evaluation of a new series of compounds with inhibitory activity against both SphK1 and SphK2. These new inhibitors were obtained incorporating new connecting chains between their polar heads and hydrophobic tails. On the other hand, the combined techniques of mol. dynamics simulations and QTAIM calculations provided complete and detailed information about the mol. interactions that stabilize the different complexes of these new inhibitors with the active sites of the SphK1. This information will be useful in the design of new SphK inhibitors. The experimental part of the paper was very detailed, including the reaction process of 2,4-Dichloropyrimidine(cas: 3934-20-1Application of 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.Application of 3934-20-1

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

《Pyridopyrimidinone derivatives as potent and selective c-Jun N-terminal kinase (JNK) inhibitors》 was written by Zheng, Ke; Park, Chul Min; Iqbal, Sarah; Hernandez, Pamela; Park, HaJeung; LoGrasso, Philip V.; Feng, Yangbo. Computed Properties of C6H7N3O2S And the article was included in ACS Medicinal Chemistry Letters on April 9 ,2015. The article conveys some information:

A novel series of 2-aminopyridopyrimidinone based JNK (c-jun N-terminal kinase) inhibitors were discovered and developed. Structure-activity relationships (SARs) were systematically developed utilizing biochem. and cell based assays and in vitro and in vivo drug metabolism and pharmacokinetic (DMPK) studies. Through the optimization of lead compound 1, several potent and selective JNK inhibitors with high oral bioavailability were developed. (trans)-1-Isopropyl-3-[4-(8-isopropyl-7-oxo-7,8-dihydro-pyrido[2,3-d]pyrimidin-2-yl-amino)-cyclohexyl]urea (I), was a potent JNK3 inhibitor (IC50 = 15 nM), had high selectivity against p38 (IC50 > 10 μM), had high potency in functional cell based assays, and had high stability in human liver microsome (t1/2 = 76 min), a clean CYP-450 inhibition profile, and excellent oral bioavailability (%F = 87). Moreover, cocrystal structures of (I) and (trans)-1-[4-(8-Cyclopentyl-7-oxo-7,8-dihydro-pyrido[2,3-d]pyrimidin-2-ylamino)-cyclohexyl]-3-isopropyl-urea in JNK3 were solved at 2.0 Å. These structures elucidated the binding mode (Type-I binding) and can pave the way for further inhibitor design of this pyridopyrimidinone scaffold for JNK inhibition. The results came from multiple reactions, including the reaction of 4-Amino-2-(methylthio)pyrimidine-5-carboxylic acid(cas: 771-81-3Computed Properties of C6H7N3O2S)

4-Amino-2-(methylthio)pyrimidine-5-carboxylic acid(cas: 771-81-3) belongs to anime. Amines can be classified according to the nature and number of substituents on nitrogen. Aliphatic amines contain only H and alkyl substituents. Aromatic amines have the nitrogen atom connected to an aromatic ring.Important amines include amino acids, biogenic amines, trimethylamine, and aniline. Inorganic derivatives of ammonia are also called amines, such as monochloramine (NClH2).Computed Properties of C6H7N3O2S

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

In 2010,Tumkevicius, Sigitas; Dodonova, Jelena; Kazlauskas, Karolis; Masevicius, Viktoras; Skardziute, Lina; Jursenas, Saulius published 《Synthesis and photophysical properties of oligoarylenes with a pyrrolo[2,3-d]pyrimidine core》.Tetrahedron Letters published the findings.Recommanded Product: 2,4-Dichloro-7H-pyrrolo[2,3-d]pyrimidine The information in the text is summarized as follows:

The Pd-catalyzed Suzuki-Miyaura reaction of 2,4-dichloropyrrolo[2,3-d]pyrimidine with arylboronates was studied. Pd(OAc)2/dicyclohexyl(2-biphenyl)phosphine/K3PO4 was an efficient catalyst system to prepare 4-aryl-2-chloro- and 2,4-diarylpyrrolo[2,3-d]pyrimidines. Novel non-linear mols. consisting of a pyrrolo[2,3-d]pyrimidine core and aryl branches were elucidated as blue light-emitters with fluorescence quantum yields of 4-67% in THF solution The impact of an electron-withdrawing CO2CMe3 group attached to the pyrrole ring of pyrrolopyrimidines on optical properties is discussed. 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: 90213-66-4Recommanded Product: 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. 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. Recommanded Product: 2,4-Dichloro-7H-pyrrolo[2,3-d]pyrimidine

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

In 2014,Su, Qibin; Ioannidis, Stephanos; Chuaqui, Claudio; Almeida, Lynsie; Alimzhanov, Marat; Bebernitz, Geraldine; Bell, Kirsten; Block, Michael; Howard, Tina; Huang, Shan; Huszar, Dennis; Read, Jon A.; Rivard Costa, Caroline; Shi, Jie; Su, Mei; Ye, Minwei; Zinda, Michael published 《Discovery of 1-Methyl-1H-imidazole Derivatives as Potent Jak2 Inhibitors》.Journal of Medicinal Chemistry published the findings.Synthetic Route of C6H3Cl2N3 The information in the text is summarized as follows:

Structure based design, synthesis, and biol. evaluation of a novel series of 1-methyl-1H-imidazole, as potent Jak2 inhibitors to modulate the Jak/STAT pathway, are described. Using the C-ring fragment from our first clin. candidate AZD1480 (I), optimization of the series led to the discovery of compound II, a potent, orally bioavailable Jak2 inhibitor. Compound II displayed a high level of cellular activity in hematopoietic cell lines harboring the V617F mutation and in murine BaF3 TEL-Jak2 cells. Compound II demonstrated significant tumor growth inhibition in a UKE-1 xenograft model within a well-tolerated dose range. In the experimental materials used by the author, we found 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

In 2017,Kamijo, Shin; Kamijo, Kaori; Murafuji, Toshihiro published 《Synthesis of Alkylated Pyrimidines via Photoinduced Coupling Using Benzophenone as a Mediator》.Journal of Organic Chemistry published the findings.Formula: C4HCl3N2 The information in the text is summarized as follows:

Alkylated pyrimidines such as I (R = Cl, MeO) were prepared regioselectively by photochem. coupling of cyclic ethers, carbamates, γ-butyrolactam, and tetrahydrothiophene (THT) with methanesulfonylpyrimidines such as II (R = Cl, MeO) using benzophenone as the sole photochem. mediator. The heterocyclic substituents were selectively introduced at the nonacidic C(sp3)-H bond proximal to their heteroatoms, and at the methanesulfonyl-substituted position of the pyrimidines. This method was used to prepare an analog of the Aurora kinase inhibitor MK-0457. 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. Organic chloride content in crude oil can be detected through specialized laboratory analysis. Care and attention are essential while sampling and testing.Formula: C4HCl3N2

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

In 2018,Andrs, Martin; Pospisilova, Monika; Seifrtova, Martina; Havelek, Radim; Tichy, Ales; Vejrychova, Katerina; Polednikova, Michaela; Gorecki, Lukas; Jun, Daniel; Korabecny, Jan; Rezacova, Martina published 《Purin-6-one and pyrrolo[2,3-d]pyrimidin-4-one derivatives as potentiating agents of doxorubicin cytotoxicity》.Future Medicinal Chemistry published the findings.Category: pyrimidines The information in the text is summarized as follows:

Aim: DNA damage response plays an eminent role in patients′ response to conventional chemotherapy and radiotherapy. Its inhibition is of great interest as it can overcome cancer cell resistance and reduce the EDs of DNA damaging agents. Results & methodol.: We have focused our research on phosphatidylinositol 3-kinase-related kinases and prepared 35 novel compounds through a scaffold hopping approach. The newly synthesized inhibitors were tested on a panel of nine cancer and one healthy cell lines alone and in combination with appropriate doses of doxorubicin. Conclusion: Five novel compounds 4f, 10b, 15g, 7e and 15f in combination with doxorubicin showed significant antiproliferative effect on seven cancer cell lines while not affecting the cell growth alone. In the experiment, the researchers used 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 derivatives also play an important role in drug development, either in concert with other compounds or on their own. Category: pyrimidinesThey 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

AlNeyadi, Shaikha S.; Adem, Abdu; Amer, Naheed; Ghattas, Mohammad A.; Atatreh, Noor; Salem, Alaa A.; Abdou, Ibrahim M. published their research in Results in Chemistry in 2021. The article was titled 《Activation of the GLP-1 receptor by chloropyrimidine derivatives》.COA of Formula: C4H2Cl2N2 The article contains the following contents:

The anti-diabetic activities of a series of chloropyrimidine derviativeswere investigated after they were designed, synthesized, and docked against the GLP-1 receptor target. In comparison to exenatide, which was utilized as a reference drug, the three chloropyrimidine synthesized compounds I, II and III exhibited potent in vitro and in vivo antidiabetic activities. Interestingly, compounds I, II and III showed to be the most effective in lowering blood glucose levels and led to even higher glucose uptake than the reference drug, exenatide. Consistent with the in vitro and in vivo data, compounds II and III had the lowest docking energy scores (Glide-XP score = 5.1 kcal/mol) and the greatest ligand efficiency score (> – 0.40 kcal/mol) among all docked compounds These findings give up new possibilities for the development of high-efficacy compounds to treat hyperglycemia. The experimental process involved the reaction of 4,6-Dichloropyrimidine(cas: 1193-21-1COA of Formula: C4H2Cl2N2)

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.COA of Formula: C4H2Cl2N2

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Chen, Xing; Yan, Yaoyao; Zhang, Zhaoyan; Zhang, Faming; Liu, Mingming; Du, Leran; Zhang, Haixia; Shen, Xiaobao; Zhao, Dahai; Shi, Jing Bo; Liu, Xinhua published their research in Journal of Medicinal Chemistry in 2021. The article was titled 《Discovery and In Vivo Anti-inflammatory Activity Evaluation of a Novel Non-peptidyl Non-covalent Cathepsin C Inhibitor》.Application of 3934-20-1 The article contains the following contents:

Cathepsin C (Cat C) participates in inflammation and immune regulation by affecting the activation of neutrophil serine proteases (NSPs). Therefore, cathepsin C is an attractive target for treatment of NSP-related inflammatory diseases. Here, the complete discovery process of the first potent “”non-peptidyl non-covalent cathepsin C inhibitor”” was described with hit finding, structure optimization, and lead discovery. Starting with hit 14, structure-based optimization and structure-activity relationship study were comprehensively carried out, and lead compound 54 was discovered as a potent drug-like cathepsin C inhibitor both in vivo and in vitro. Also, compound 54 (with cathepsin C Enz IC50 = 57.4 nM) exhibited effective anti-inflammatory activity in an animal model of chronic obstructive pulmonary disease. These results confirmed that the non-peptidyl and non-covalent derivative could be used as an effective cathepsin C inhibitor and encouraged us to continue further drug discovery on the basis of this finding. In the experiment, the researchers used many compounds, for example, 2,4-Dichloropyrimidine(cas: 3934-20-1Application of 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.Application of 3934-20-1

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

In 2022,Skaisgiris, Rokas; Serevicius, Tomas; Dodonova, Jelena; Banevicius, Dovydas; Kazlauskas, Karolis; Tumkevicius, Sigitas; Jursenas, Saulius published an article in Journal of Luminescence. The title of the article was 《Tuning of HOMO-LUMO localization for achieving thermally activated delayed fluorescence》.Safety of 4,6-Dichloropyrimidine The author mentioned the following in the article:

High emission yield and rapid reverse intersystem crossing are essential for efficient thermally activated delayed fluorescence (TADF) compounds In this paper, we show that efficient TADF can be achieved by enhancing the localization of HOMO and LUMO in carbazole-pyrimidine compounds with rather flat mol. structure. Simple carbazole-pyrimidine Cbz-PYR was selected as a reference compound due to the pronounced room-temperature phosphorescence activity. The subsequent modifications of carbazole and pyrimidine units with diphenylamine and Ph fragments resulted in weakened HOMO-LUMO communication, leading to the minimized singlet-triplet energy gap of only 111 meV. Due to the rather flat mol. geometry, TADF compounds showed remarkable radiative decay rate reaching 4.6 x 107 s-1 for the most efficient TADF-active carbazole-pyrimidine compound dCbz-pPYR, followed by high emission yield of 0.75. Efficient green electroluminescence with peak EQE of 18.3%. was shown for OLED device with dCbz-pPYR emitter. The experimental part of the paper was very detailed, including the reaction process of 4,6-Dichloropyrimidine(cas: 1193-21-1Safety of 4,6-Dichloropyrimidine)

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.Safety of 4,6-Dichloropyrimidine

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

《Utilizing triazine/pyrimidine acceptor and carbazole-triphenylamine donor based bipolar novel host materials for highly luminescent green phosphorescent OLEDs with lower efficiency roll-off》 was written by Braveenth, Ramanaskanda; Ahn, Dae Hyun; Han, Ji-Hun; Moon, Ji Su; Kim, Si Woo; Lee, Hyuna; Qiong, Wu; Kwon, Jang Hyuk; Chai, Kyu Yun. Safety of 2,4,6-TrichloropyrimidineThis research focused ontriazine pyrimidine acceptor carbazole triphenylamine donor host material; host material luminescent green phosphorescent efficiency. The article conveys some information:

In this work, two novel bipolar host materials were designed, synthesized and applied in green phosphorescent based OLEDs. Both the host materials, 4-(2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-carbazol-9-yl)-N,N-diphenylaniline (TRZ 1) and 4-(2-(4,6-diphenylpyrimidin-2-yl)-9H-carbazol-9-yl)-N,N-diphenylaniline (PYR 1) exhibited high thermal stability, with decomposition temperatures of 425 °C and 400 °C, resp. The triplet energy of PYR 1 (2.63 eV) was higher than that of TRZ 1 (2.44 eV), and facilitated suitable energy transfer to the green dopant. The PYR 1 based green device demonstrated an excellent maximum current efficiency of 48.7 cd/A and external quantum efficiency of 16.4%. Interestingly, the green device with PYR 1 showed an outstanding brightness of 95,870 cd/m2, which is three times greater than that of the reference CBP based device (31,370 cd/m2). The bipolar host PYR 1 is a promising material for high luminescent and low efficiency roll off applications, especially for green PhOLEDs. In the part of experimental materials, we found many familiar compounds, such as 2,4,6-Trichloropyrimidine(cas: 3764-01-0Safety of 2,4,6-Trichloropyrimidine)

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.Safety of 2,4,6-Trichloropyrimidine

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia