Month: October 2022

Pyrazoles are synthesized by the reaction of α,β-unsaturated aldehydes with hydrazine and subsequent dehydrogenation. 37622-90-5, formula is C6H8N2O2, Name is Ethyl 4-pyrazolecarboxylate. Substituted pyrazoles are prepared by condensation of 1,3-diketones with hydrazine (Knorr-type reactions). For example, acetylacetone and hydrazine gives 3,5-dimethylpyrazole. HPLC of Formula: 37622-90-5.

Zou, Yiquan;Xu, Lei;Chen, Wuyan;Zhu, Yiping;Chen, Tiantian;Fu, Yan;Li, Li;Ma, Lanping;Xiong, Bing;Wang, Xin;Li, Jian;He, Jianhua;Zhang, Haiyan;Xu, Yechun;Li, Jia;Shen, Jingkang research published 《 Discovery of pyrazole as C-terminus of selective BACE1 inhibitors》, the research content is summarized as follows. We recently discovered and reported dual inhibitor 5 of AChE and BACE1 with N-benzylpiperidine Et as C-terminus. Compound 5 showed potent inhibitory activities for BACE1, and could reduce endogenous Aβ_1-40 production in APP transgenic mice. In present work, we rapidly identified substituted triazole as the C-terminus of compound 5 by replacing the benzylpiperidine Et group with click chem. and tested these synthesized compounds by in situ screening assay. As revealed by the crystal structures of BACE1 in complex with our triazole compound 12, we found that Pro70 and Thr72 located in the flap region were the critical components for binding with these inhibitors. With the aid of the crystal structure, a new series of five-membered heterocyclic compounds was prepared in order to explore the structure-activity relationship (SAR) of this class of mols. From these efforts, pyrazole was discovered as a novel C-terminus of BACE1 inhibitors. After further modification of pyrazole with variable substituents, compound 37 exhibited good potency in enzyme inhibition assay (IC₅₀ = 0.025 μM) and compound 33 showed moderate inhibition effects on Aβ production of APP transfected HEK293 cells. Moreover, these pyrazole derivatives demonstrated good selectivity vs. cathepsin D. Our results indicated that the vicinity of Pro70 and Thr72 might be utilized as a subsite, and the discovered pyrazole derivatives might provide useful hints for developing novel BACE1 inhibitors as anti-AD drugs.

HPLC of Formula: 37622-90-5, Ethyl 4-pyrazolecarboxylate, also known as Ethyl pyrazole-4-carboxylate, is a useful research compound. Its molecular formula is C6H8N2O2 and its molecular weight is 140.14 g/mol. The purity is usually 95%.

Ethyl pyrazole-4-carboxylate is a low yield, transition metal salt that is used in the synthesis of pyrazoles. It can be synthesized by the reaction of sodium ethoxide with ethyl chloroformate and a Grignard reagent. Sodium ethoxide is added to a suspension of sodium chloride and dried ethyl chloroformate, followed by addition of magnesium turnings. The mixture is refluxed for one hour, cooled, and filtered to give crystals. Ethyl pyrazole-4-carboxylate is used in the preparation of ethyl esters from aliphatic alcohols by reacting with boron trichloride or phosphorus pentachloride. It participates in certain chemical reactions as a byproduct and can damage equipment during chemical reactions. The yield of this compound can be increased by using an excess amount of Grignard reagent or adding hexamethylenetetramine to the reaction mixture, 37622-90-5.

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Pyrazole and its derivatives are considered a pharmacologically important active scaffold that possesses almost all types of pharmacological activities. 761446-44-0, formula is C10H17BN2O2, Name is 1-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole. Pyrazole is a weak base, with pKb 11.5 (pKa of the conjugated acid 2.49 at 25 °C).Pyrazole used as a ligand to prepare organometallic compounds. COA of Formula: C10H17BN2O2.

Zhuo, Lin-Sheng;Wang, Ming-Shu;Wu, Feng-Xu;Xu, Hong-Chuang;Gong, Yi;Yu, Zhi-Cheng;Tian, Yan-Guang;Pang, Chao;Hao, Ge-Fei;Huang, Wei;Yang, Guang-Fu research published 《 Discovery of Next-Generation Tropomyosin Receptor Kinase Inhibitors for Combating Multiple Resistance Associated with Protein Mutation》, the research content is summarized as follows. Tropomyosin receptor kinase (TRK) inhibition is an effective therapeutic approach for treatment of a variety of cancers. Despite the use of first-generation TRK inhibitor (TRKI) larotrectinib (1) resulting in significant therapeutic response in patients, acquired resistance develops invariably. The emergence of secondary mutations occurring at the solvent-front, xDFG, and gatekeeper regions of TRK represents a common mechanism for acquired resistance. However, xDFG mutations remain insensitive to second-generation macrocyclic TRKIs selitrectinib (3) and repotrectinib (4) designed to overcome the resistance mediated by solvent-front and gatekeeper mutations. Here, we report the structure-based drug design and discovery of a next-generation TRKI. The structure-activity relationship studies culminated in the identification of a promising drug candidate 8 that showed excellent in vitro potency on a panel of TRK mutants, especially TRKA^G667C in the xDFG motif, and improved in vivo efficacy than 1 and 3 in TRK wild-type and mutant fusion-driven tumor xenograft models, resp.

761446-44-0, 1-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole is a useful research compound. Its molecular formula is C10H17BN2O2 and its molecular weight is 208.07 g/mol. The purity is usually 95%., COA of Formula: C10H17BN2O2

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Pyrazoles can be selectively lithiated at different carbons and subsequently react with electrophiles depending on the substitution patterns. 2075-46-9, formula is C3H3N3O2, Name is 4-Nitro-1H-pyrazole. 1-Methyl-5-(trifluoromethyl)pyrazole underwent deprotonation and subsequent carboxylation mainly or exclusively at either the 4-position of the heterocycle or at the nitrogen-attached methyl group. Quality Control of 2075-46-9.

Zhu, Shuangfei;Yang, Wei;Gan, Qiang;Cheng, Nianshou;Feng, Changgen research published 《 Comparative study on the thermal decomposition of structural isomers: Pyrazole and imidazole energetic materials》, the research content is summarized as follows. Exploration of the thermal decay mechanisms of energetic skeletons supports the understanding of stability and energy release. Herein, the thermal decomposition is comparatively investigated of energetic isomers nitropyrazole and nitroimidazoles at high temperature and high d. based on ReaxFF-lg reactive mol. dynamics simulations, which have not been fully understood. Results show that the initial decomposition reaction of nitropyrazole and nitroimidazole were triggered by the OH elimination as a result of intermol. H-shift. The N₂ elimination plays a major role in the decomposition of pyrazoles, while the formation of hydrogen cyanide CHN is the main decomposition channel of imidazoles. Another important channel of their nitro derivatives is C-NO₂ bond dissociation At high d., the cleavage of C-NO₂ bonds is inhibited, and the reactions between mols. are promoted, therefore the dimers are easier to produce. Detailed evolution yields of key intermediates, final gaseous products, and clusters are also presented to study the difference in the thermal decay of pyrazoles and imidazoles, as well as the effect of pressure. Overall, these thermolysis properties of nitropyrazole and nitroimidazole are expected to gain more knowledge to the diversity of thermal decomposition of energetic isomers.

2075-46-9, 4-Nitro-1H-pyrazole, also known as 4-Nitropyrazole, is a useful research compound. Its molecular formula is C3H3N3O2 and its molecular weight is 113.08 g/mol. The purity is usually 95%.

4-Nitropyrazole, is a building block for the synthesis of various pharmaceutical compounds, including inhibitors, and therapeutic agents. It can be used for the synthesis of highly selective, brain-penetrant aminopyrazole LRRK2 Inhibitor, as a potentially viable treatment for Parkinson’s disease., Quality Control of 2075-46-9

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Pyrazoles can be selectively lithiated at different carbons and subsequently react with electrophiles depending on the substitution patterns. 2075-46-9, formula is C3H3N3O2, Name is 4-Nitro-1H-pyrazole. 1-Methyl-5-(trifluoromethyl)pyrazole underwent deprotonation and subsequent carboxylation mainly or exclusively at either the 4-position of the heterocycle or at the nitrogen-attached methyl group. Product Details of C3H3N3O2.

Zhu, Shuang-fei;Gan, Qiang;Feng, Changgen research published 《 Multimolecular Complexes of CL-20 with Nitropyrazole Derivatives: Geometric, Electronic Structure, and Stability》, the research content is summarized as follows. The multimol. complexes formed between 2,4,6,8,10,12-hexanitro-2,4,6,6,8,10,12-hexaazaisowurtzitane (CL-20) and nitropyrazole compounds were investigated using B3LYP-D3/6-311G(d,p) and B97-3c methods. CL-20 in these complexes was surrounded by Me, nitro, and amino derivatives of 4-nitropyrazole. The influence of substituents on the mol. electrostatic potential distribution of nitropyrazoles was investigated to figure out the potential electrostatic interaction sites. For the complex, the O···H hydrogen bond was popular in the intermol. interactions, and dispersion interaction played an essential role, especially in Cx/CL-20 multimol. complexes. Trigger bond anal. showed that their strength increased upon the formation of intermol. weak interactions. Nitro group charge calculations stated that the neg. charge on almost all nitro groups showed a significant increase. Therefore, the sensitivity of CL-20 seemed to be lower than the original. In addition, the transfer of electron d. between CL-20 and nitropyrzoles in complexes was investigated, revealing the influence of weak interactions on the electron d. of CL-20.

2075-46-9, 4-Nitro-1H-pyrazole, also known as 4-Nitropyrazole, is a useful research compound. Its molecular formula is C3H3N3O2 and its molecular weight is 113.08 g/mol. The purity is usually 95%.

4-Nitropyrazole, is a building block for the synthesis of various pharmaceutical compounds, including inhibitors, and therapeutic agents. It can be used for the synthesis of highly selective, brain-penetrant aminopyrazole LRRK2 Inhibitor, as a potentially viable treatment for Parkinson’s disease., Product Details of C3H3N3O2

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Pyrazoles can be selectively lithiated at different carbons and subsequently react with electrophiles depending on the substitution patterns. 2075-46-9, formula is C3H3N3O2, Name is 4-Nitro-1H-pyrazole. 1-Methyl-5-(trifluoromethyl)pyrazole underwent deprotonation and subsequent carboxylation mainly or exclusively at either the 4-position of the heterocycle or at the nitrogen-attached methyl group. Product Details of C3H3N3O2.

Zhou, Ru-Shuang;Cai, Chun research published 《 C-H Amination of Nitro Azaheterocyclic Compounds by Vicarious Nucleophilic Substitution》, the research content is summarized as follows. Various nitro azaheterocyclic compounds were subjected to C-H amination by vicarious nucleophilic substitution with 4H-1,2,4-triazol-4-amine (ATA). The aminated products were characterized by NMR, mass spectroscopy, and single-crystal X-ray diffraction analyses. The substrates examined gave moderate to excellent yields (30-88%) and showed good regioselectivities. This protocol offers the advantages of mild conditions, a short reaction time (2-4 h), and an inexpensive, com. available, and less-toxic amination reagent; moreover, no addnl. catalyst or reagent is needed. A possible reaction mechanism is discussed.

2075-46-9, 4-Nitro-1H-pyrazole, also known as 4-Nitropyrazole, is a useful research compound. Its molecular formula is C3H3N3O2 and its molecular weight is 113.08 g/mol. The purity is usually 95%.

4-Nitropyrazole, is a building block for the synthesis of various pharmaceutical compounds, including inhibitors, and therapeutic agents. It can be used for the synthesis of highly selective, brain-penetrant aminopyrazole LRRK2 Inhibitor, as a potentially viable treatment for Parkinson’s disease., Product Details of C3H3N3O2

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Pyrazole is an organic compound with the formula C3H3N2H. It is a heterocycle characterized by a 5-membered ring of three carbon atoms and two adjacent nitrogen atoms, which are in ortho-substitution. 37622-90-5, formula is C6H8N2O2, Name is Ethyl 4-pyrazolecarboxylate. Pyrazoles are a class of compounds that have the ring C3N2 with adjacent nitrogen atoms.Notable drugs containing a pyrazole ring are celecoxib (celebrex) and the anabolic steroid stanozolol. Computed Properties of 37622-90-5.

Zhou, Qifan;Du, Fangyu;Chen, Yuanguang;Fu, Yang;Sun, Wenjiao;Wu, Ying;Chen, Guoliang research published 《 L-(-)-Quebrachitol as a Ligand for Selective Copper(0)-Catalyzed N-Arylation of Nitrogen-Containing Heterocycles》, the research content is summarized as follows. L-(-)-Quebrachitol (QCT) was found as a ligand of copper powder for selective N-arylation of nitrogen-containing heterocycles with aryl halides. Furthermore, another potential catalytic system (copper powder/QCT/t-BuOK) was successfully adapted to unactivated aryl chlorides.

Computed Properties of 37622-90-5, Ethyl 4-pyrazolecarboxylate, also known as Ethyl pyrazole-4-carboxylate, is a useful research compound. Its molecular formula is C6H8N2O2 and its molecular weight is 140.14 g/mol. The purity is usually 95%.

Ethyl pyrazole-4-carboxylate is a low yield, transition metal salt that is used in the synthesis of pyrazoles. It can be synthesized by the reaction of sodium ethoxide with ethyl chloroformate and a Grignard reagent. Sodium ethoxide is added to a suspension of sodium chloride and dried ethyl chloroformate, followed by addition of magnesium turnings. The mixture is refluxed for one hour, cooled, and filtered to give crystals. Ethyl pyrazole-4-carboxylate is used in the preparation of ethyl esters from aliphatic alcohols by reacting with boron trichloride or phosphorus pentachloride. It participates in certain chemical reactions as a byproduct and can damage equipment during chemical reactions. The yield of this compound can be increased by using an excess amount of Grignard reagent or adding hexamethylenetetramine to the reaction mixture, 37622-90-5.

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Pyrazoles and pyrimidines have diverse biological and pharmacological activities. 2075-46-9, formula is C3H3N3O2, Name is 4-Nitro-1H-pyrazole. There are a number of antimicrobial compounds containing pyrazole moiety as the core unit. Recommanded Product: 4-Nitro-1H-pyrazole.

Zhou, Naifu;Yu, Jianchao;LiyuanHou;Wu, Xing;Ruan, Zhixiong;Feng, Pengju research published 《 Electro-oxidative coupling of azoles with 2- and 3-haloindoles/thiophenes providing access to 2/3-halo(azol-1-yl)indoles/thiophenes》, the research content is summarized as follows. This report disclosed an electrochem. oxidative C-H/N-H cross-coupling method for the synthesis of C-2/C-3 azolated halo-indoles/thiophenes such as I [R = Br, CN, pyrazol-1-yl, etc.; R¹ = Br, pyrazol-1-yl, 1,2,4-triazol-1-yl, etc.; R² = H, Cl, Br, 3-MeC(O)C₆H₄, 4-F₃COC₆H₄; R³ = H, F, Br, CN; X = S, NTs, NSO₂Ph, NC(O)Me]under metal catalyst-free and external chem. oxidant free condition. Hydrogen gas was the only byproduct of this C-H/N-H cross-coupling reaction. The synthetic utility of this electrochem. approach was highlighted by its easy scalability and compatibility with highly functional indoles and azoles. The retention of halogen on the heterocycles could serve as a useful functional group for future late-stage modifications.

Recommanded Product: 4-Nitro-1H-pyrazole, 4-Nitro-1H-pyrazole, also known as 4-Nitropyrazole, is a useful research compound. Its molecular formula is C3H3N3O2 and its molecular weight is 113.08 g/mol. The purity is usually 95%.

4-Nitropyrazole, is a building block for the synthesis of various pharmaceutical compounds, including inhibitors, and therapeutic agents. It can be used for the synthesis of highly selective, brain-penetrant aminopyrazole LRRK2 Inhibitor, as a potentially viable treatment for Parkinson’s disease., 2075-46-9.

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Pyrazole is an organic compound with the formula C3H3N2H. It is a heterocycle characterized by a 5-membered ring of three carbon atoms and two adjacent nitrogen atoms, which are in ortho-substitution. 761446-44-0, formula is C10H17BN2O2, Name is 1-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole. Pyrazoles are a class of compounds that have the ring C3N2 with adjacent nitrogen atoms.Notable drugs containing a pyrazole ring are celecoxib (celebrex) and the anabolic steroid stanozolol. Safety of 1-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole.

Zhou, Hua;McGowan, Meredeth A.;Lipford, Kathryn;Christopher, Matthew;Fradera, Xavier;Witter, David;Lesburg, Charles A.;Li, Chaomin;Methot, Joey L.;Lampe, John;Achab, Abdelghani;Shaffer, Lynsey;Goldenblatt, Peter;Shah, Sanjiv;Bass, Alan;Schroeder, Gottfried;Chen, Dapeng;Zeng, Haoyu;Augustin, Martin A.;Katz, Jason D. research published 《 Discovery and optimization of heteroaryl piperazines as potent and selective PI3Kδ inhibitors》, the research content is summarized as follows. A high-throughput screening (HTS) campaign identified a class of heteroaryl piperazines with excellent baseline affinity and selectivity for phosphoinositide 3-kinase δ (PI3Kδ) over closely related isoforms. Rapid evaluation and optimization of structure-activity relationships (SAR) for this class, leveraging the modular nature of this scaffold, facilitated development of this hit class into a series of potent and selective inhibitors of PI3Kδ. This effort culminated in the identification of 29, which displayed excellent potency in enzyme and cell-based assays, as well as favorable pharmacokinetic and off-target profiles.

761446-44-0, 1-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole is a useful research compound. Its molecular formula is C10H17BN2O2 and its molecular weight is 208.07 g/mol. The purity is usually 95%., Safety of 1-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Pyrazole and its derivatives are considered a pharmacologically important active scaffold that possesses almost all types of pharmacological activities. 2075-46-9, formula is C3H3N3O2, Name is 4-Nitro-1H-pyrazole. Pyrazole is a weak base, with pKb 11.5 (pKa of the conjugated acid 2.49 at 25 °C).Pyrazole used as a ligand to prepare organometallic compounds. HPLC of Formula: 2075-46-9.

Zhou, Hongyan;Xiang, Xiancheng;Ma, Ben;Wang, Ganggang;Zhang, Zhixia;Yang, Jingya research published 《 Lithium Chloride Catalyzed Aza-Michael Addition of Pyrazoles to α,β-Unsaturated Imides》, the research content is summarized as follows. A lithium chloride catalyzed aza-Michael reaction of pyrazoles to α,β-unsaturated imides was developed. A range of aromatic and aliphatic α,β-unsaturated imides were found to be suitable for the established method, provided the corresponding aza-Michael adducts in up to 93% yields. The inexpensive catalyst, good substrate tolerance and ease of scale-up made this procedure highly practical.

HPLC of Formula: 2075-46-9, 4-Nitro-1H-pyrazole, also known as 4-Nitropyrazole, is a useful research compound. Its molecular formula is C3H3N3O2 and its molecular weight is 113.08 g/mol. The purity is usually 95%.

4-Nitropyrazole, is a building block for the synthesis of various pharmaceutical compounds, including inhibitors, and therapeutic agents. It can be used for the synthesis of highly selective, brain-penetrant aminopyrazole LRRK2 Inhibitor, as a potentially viable treatment for Parkinson’s disease., 2075-46-9.

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Pyrazole and its derivatives are considered a pharmacologically important active scaffold that possesses almost all types of pharmacological activities. 761446-44-0, formula is C10H17BN2O2, Name is 1-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole. Pyrazole is a weak base, with pKb 11.5 (pKa of the conjugated acid 2.49 at 25 °C).Pyrazole used as a ligand to prepare organometallic compounds. Name: 1-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole.

Zhong, Zhenpeng;Shi, Liyang;Fu, Tiancheng;Huang, Jiajun;Pan, Zhengying research published 《 Discovery of Novel 7-Azaindole Derivatives as Selective Covalent Fibroblast Growth Factor Receptor 4 Inhibitors for the Treatment of Hepatocellular Carcinoma》, the research content is summarized as follows. Fibroblast growth factor receptor 4 (FGFR4) has been identified as a potential target for the treatment of hepatocellular carcinoma (HCC) with aberrant FGFR4 signaling because of its important role in HCC progression and development. Several FGFR4 inhibitors are under clin. development. Using a 7-azaindole scaffold, we discovered a series of novel selective and covalent FGFR4 inhibitors by performing a structure-based design approach. Representative compounds I and II exhibited potent FGFR4 inhibition and high selectivity among kinases. Western blot anal. showed that compounds I and II significantly inhibited the FGF19/FGFR4 signaling pathway in HuH-7 cells and effectively suppressed the proliferation of HuH-7 HCC cells and MDA-MB-453 breast cancer cells. Moreover, compound II exhibited significant in vivo antitumor activity in a mouse HuH-7 xenograft model. Thus, compound II and the 7-azaindole scaffold can be applied to develop anticancer agents for the treatment of cancers characterized by aberrant FGFR4 signaling.

761446-44-0, 1-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole is a useful research compound. Its molecular formula is C10H17BN2O2 and its molecular weight is 208.07 g/mol. The purity is usually 95%., Name: 1-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics