Tag: M.W=100-150

Mo, Zong-Wen published the artcileTuning Connectivity and Flexibility of Two Zinc-Triazolate-Carboxylate Type Porous Coordination Polymers, Recommanded Product: 4-(1H-Pyrazol-4-yl)pyridine, the publication is Crystal Growth & Design (2018), 18(5), 2694-2698, database is CAplus.

Solvothermal reactions of Zn(II) salts and 4-(1H-pyrazol-4-yl)pyridine (Hpypz) in the presence of monocarboxylate or dicarboxylate ligands produced two porous coordination polymers, namely, [Zn(pypz)(OAc)]·guest (1·g, HOAc = acetic acid) and [Zn₂(pypz)₂(oba)]·guest (2·g, H₂oba = 4,4′-oxobisbenzoic acid). Single-crystal x-ray diffraction analyses showed that both 1 and 2 contain 2-fold interpenetrated three-dimensional nbo-a {Zn(pypz)}⁺ networks consisting of 3-connected Zn(II) ions and 3-connected pypz^– ligands. After the carboxylate ligands were considered, 1 retains the nbo-a network structure and contains one-dimensional channels with very narrow apertures. However, 2 becomes a new uninodal 6-connected topol. (point symbol 3³.4².5⁶.6⁴) and contains discrete pores. Powder x-ray diffraction showed that, after solvent removal, 1 undergoes obvious framework shrinkage, while 2 retains the original unit cell. Activated 1 and 2 both exclude N₂ at 77 K, but readily adsorb CO₂ at 195 K with unconventional isotherm shapes, indicating the different types of framework flexibilities.

Crystal Growth & Design published new progress about 19959-71-8. 19959-71-8 belongs to pyrazoles-derivatives, auxiliary class Pyrazole,Pyridine, name is 4-(1H-Pyrazol-4-yl)pyridine, and the molecular formula is C8H7N3, Recommanded Product: 4-(1H-Pyrazol-4-yl)pyridine.

Referemce:
https://en.wikipedia.org/wiki/Pyrazole,
Pyrazoles – an overview | ScienceDirect Topics

Duan, Yongbin published the artcileDesign, synthesis and biological evaluation of benzothiazoles as highly potent ROCK inhibitors through molecular docking and free energy calculations, Category: pyrazoles-derivatives, the publication is Gaodeng Xuexiao Huaxue Xuebao (2017), 38(9), 1568-1577, database is CAplus.

Rock has been considered to provide a pharmacol. strategy for preventing and treating multiple sclerosis, pulmonary hypertension, glaucoma, cardiovascular disease, erectile dysfunction and cancer. With 3 previously reported and benzothiazole-based ROCK inhibitors (1-3) as the research targets, the structure-activity relationship (SAR) was preliminary revealed from amino acid level by mol. docking after obtaining the stable ROCK2-ligand complexes in the binding pocket through mol. dynamic simulations. Then MM/GBSA free energy calculations of compounds 1-3 showed that there was good correlation between binding affinity (ΔG_bind) and inhibitory activities, and van der Waals interaction (ΔG_VDW) contributing to ΔG_bind most. And the key amino acids with outstanding contribution for high inhibition were obtained through free energy anal. Finally, 3 series of benzothiazoles (D1-D10) were designed according to the results of mol. docking and free energy calculations In the biol. evaluation, compounds D1-D10 exhibited 2-105 nmol/L IC₅₀ values against ROCK2 and 11-288 nmol/L IC₅₀ values against ROCK1. Compounds D3-D5 exhibited higher metabolic stability than reported compounds 1 and 3 in human liver microsome studies. This work not only gave theor. guidance for the design of highly potent ROCK, but also offered a series of highly active ROCK inhibitors with intellectual property right for fundamental research and application of ROCK.

Gaodeng Xuexiao Huaxue Xuebao published new progress about 763120-58-7. 763120-58-7 belongs to pyrazoles-derivatives, auxiliary class Pyrazole,Boronic acid and ester,Boronic Acids,Boronic acid and ester, name is 1H-Pyrazole-4-boronic acid, and the molecular formula is C3H5BN2O2, Category: pyrazoles-derivatives.

Referemce:
https://en.wikipedia.org/wiki/Pyrazole,
Pyrazoles – an overview | ScienceDirect Topics

Feng, Yangbo published the artcileDiscovery of Substituted 4-(Pyrazol-4-yl)-phenylbenzodioxane-2-carboxamides as Potent and Highly Selective Rho Kinase (ROCK-II) Inhibitors, Name: 1H-Pyrazole-4-boronic acid, the publication is Journal of Medicinal Chemistry (2008), 51(21), 6642-6645, database is CAplus and MEDLINE.

The identification of a new class of potent and selective ROCK-II inhibitors is presented. Compound SR-3677 (I) had an IC₅₀ of ∼3 nM in enzyme and cell based assays and had an off-target hit rate of 1.4% against 353 kinases, and inhibited only 3 out of 70 nonkinase enzymes and receptors. Pharmacol. studies showed that I was efficacious in both, increasing ex vivo aqueous humor outflow in porcine eyes and inhibiting myosin light chain phosphorylation.

Journal of Medicinal Chemistry published new progress about 763120-58-7. 763120-58-7 belongs to pyrazoles-derivatives, auxiliary class Pyrazole,Boronic acid and ester,Boronic Acids,Boronic acid and ester, name is 1H-Pyrazole-4-boronic acid, and the molecular formula is C3H5BN2O2, Name: 1H-Pyrazole-4-boronic acid.

Referemce:
https://en.wikipedia.org/wiki/Pyrazole,
Pyrazoles – an overview | ScienceDirect Topics

Sessions, E. Hampton published the artcileBenzimidazole- and benzoxazole-based inhibitors of Rho kinase, Safety of 1H-Pyrazole-4-boronic acid, the publication is Bioorganic & Medicinal Chemistry Letters (2008), 18(24), 6390-6393, database is CAplus and MEDLINE.

Inhibitors of Rho kinase have been developed based on two distinct scaffolds, benzimidazoles, and benzoxazoles. SAR studies and efforts to optimize the initial lead compounds are described. Novel selective inhibitors of ROCK-II with excellent potency in both enzyme and cell-based assays were obtained. These inhibitors possess good microsomal stability, low cytochrome P 450 inhibitions and good oral bioavailability.

Bioorganic & Medicinal Chemistry Letters published new progress about 763120-58-7. 763120-58-7 belongs to pyrazoles-derivatives, auxiliary class Pyrazole,Boronic acid and ester,Boronic Acids,Boronic acid and ester, name is 1H-Pyrazole-4-boronic acid, and the molecular formula is C6H3ClFNO2, Safety of 1H-Pyrazole-4-boronic acid.

Referemce:
https://en.wikipedia.org/wiki/Pyrazole,
Pyrazoles – an overview | ScienceDirect Topics

Tong, Jin published the artcileProgrammable self-assembly of homo- or hetero-metallomacrocycles using 4-(1H-pyrazolyl-4-yl)pyridine, Recommanded Product: 4-(1H-Pyrazol-4-yl)pyridine, the publication is Chemical Communications (Cambridge, United Kingdom) (2012), 48(43), 5343-5345, database is CAplus and MEDLINE.

The dimetallic [M₂(bpy)₂(NO₃)₂](NO₃)₂ moieties (M = Pd(II) or Pt(II)) react preferentially at the pyrazolyl end of the pyridyl-pyrazole ligand, giving rise to dimetallic corners. Subsequently, the dimetallic corner building blocks featuring two pyridine donors are coordinated by monometallic [M(bpy)(NO₃)₂] moieties (M = Pd(II) or Pt(II)) to form homo- or hetero-metallomacrocycles.

Chemical Communications (Cambridge, United Kingdom) published new progress about 19959-71-8. 19959-71-8 belongs to pyrazoles-derivatives, auxiliary class Pyrazole,Pyridine, name is 4-(1H-Pyrazol-4-yl)pyridine, and the molecular formula is C3H5BN2O2, Recommanded Product: 4-(1H-Pyrazol-4-yl)pyridine.

Referemce:
https://en.wikipedia.org/wiki/Pyrazole,
Pyrazoles – an overview | ScienceDirect Topics

Xu, Ying-zi published the artcileDesign and synthesis of thiophene dihydroisoquinolines as novel BACE1 inhibitors, Recommanded Product: (1H-Pyrazol-5-yl)boronic acid, the publication is Bioorganic & Medicinal Chemistry Letters (2013), 23(10), 3075-3080, database is CAplus and MEDLINE.

Utilizing a structure based design approach, combined with extensive medicinal chem. execution, highly selective, potent and novel BACE1 inhibitor I (BACE1 Alpha assay IC₅₀ = 8 nM) was made from a weak μM potency hit in an extremely efficient way. The detailed SAR and general design approaches will be discussed.

Bioorganic & Medicinal Chemistry Letters published new progress about 724710-02-5. 724710-02-5 belongs to pyrazoles-derivatives, auxiliary class Pyrazole,Boronic acid and ester,Pyrazole,Boronic Acids,Boronic acid and ester, name is (1H-Pyrazol-5-yl)boronic acid, and the molecular formula is C8H6KNO4S, Recommanded Product: (1H-Pyrazol-5-yl)boronic acid.

Referemce:
https://en.wikipedia.org/wiki/Pyrazole,
Pyrazoles – an overview | ScienceDirect Topics

Xu, Ying-zi published the artcileDesign and synthesis of thiophene dihydroisoquinolines as novel BACE1 inhibitors, Computed Properties of 763120-58-7, the publication is Bioorganic & Medicinal Chemistry Letters (2013), 23(10), 3075-3080, database is CAplus and MEDLINE.

Utilizing a structure based design approach, combined with extensive medicinal chem. execution, highly selective, potent and novel BACE1 inhibitor I (BACE1 Alpha assay IC₅₀ = 8 nM) was made from a weak μM potency hit in an extremely efficient way. The detailed SAR and general design approaches will be discussed.

Bioorganic & Medicinal Chemistry Letters published new progress about 763120-58-7. 763120-58-7 belongs to pyrazoles-derivatives, auxiliary class Pyrazole,Boronic acid and ester,Boronic Acids,Boronic acid and ester, name is 1H-Pyrazole-4-boronic acid, and the molecular formula is C8H10S, Computed Properties of 763120-58-7.

Referemce:
https://en.wikipedia.org/wiki/Pyrazole,
Pyrazoles – an overview | ScienceDirect Topics

De Schutter, Joris W. published the artcileNovel bisphosphonate inhibitors of the human farnesyl pyrophosphate synthase, SDS of cas: 763120-58-7, the publication is Bioorganic & Medicinal Chemistry Letters (2010), 20(19), 5781-5786, database is CAplus and MEDLINE.

A structure-based approach was pursued in designing novel bisphosphonate inhibitors of the human farnesyl pyrophosphate synthase (hFPPS). Preliminary SAR and structural evidence for the simultaneous binding of these inhibitors into the isopentenyl pyrophosphate (IPP) and the geranyl pyrophosphate (GPP) substrate sub-pockets of the enzyme are presented.

Bioorganic & Medicinal Chemistry Letters published new progress about 763120-58-7. 763120-58-7 belongs to pyrazoles-derivatives, auxiliary class Pyrazole,Boronic acid and ester,Boronic Acids,Boronic acid and ester, name is 1H-Pyrazole-4-boronic acid, and the molecular formula is C3H5BN2O2, SDS of cas: 763120-58-7.

Referemce:
https://en.wikipedia.org/wiki/Pyrazole,
Pyrazoles – an overview | ScienceDirect Topics

Taldone, Tony published the artcilePreparation of a diverse purine-scaffold library via one-step palladium catalyzed cross-coupling, Formula: C3H5BN2O2, the publication is Heterocycles (2013), 87(1), 91-113, database is CAplus.

In an ongoing efforts to prepare Hsp90 inhibitors (heat-shock proteins HSP 90 inhibitors), various cross-coupling reactions (Suzuki, Stille, Heck, and Sonogashira) were used to construct a diverse library of substituted purines in a single step from PU-H71. The authors showed show that these reactions, particularly a Suzuki coupling, are highly efficient, do not require protection of the pendant amine and due to a wide variety of com. available substrates, allow for the rapid development of a diverse purine library. The products derived from these reactions will permit the exploration of the chem. space occupied by the key 6′-iodine of PU-H71 through mols. with diverse phys. and chem. properties with the potential to be useful for diseases in which Hsp90 is implicated. The synthesis of the target compounds was achieved using 6-amino-8-[(6-iodo-1,3-benzodioxolyl)thio]-N-(1-methylethyl)-9H-purine-9-propanamine as a key starting material in a reaction with boronic acid derivatives., alkenes, alkynes and organotin compounds (stannane compounds). The title compounds thus formed included 6-amino-N-(1-methylethyl)-8-[[6-(2-oxazolyl)-1,3-benzodioxolyl]thio]-9H-purine-9-propanamine (I) and related substances, such as derivatives of pyrimidine, pyrazine, imidazole, thiazole, alkenes, isoxazole, pyrazole , furan, pyrrole, pyridine, cyclohexane, cyclopentane, alkyne derivatives

Heterocycles published new progress about 724710-02-5. 724710-02-5 belongs to pyrazoles-derivatives, auxiliary class Pyrazole,Boronic acid and ester,Pyrazole,Boronic Acids,Boronic acid and ester, name is (1H-Pyrazol-5-yl)boronic acid, and the molecular formula is C3H5BN2O2, Formula: C3H5BN2O2.

Referemce:
https://en.wikipedia.org/wiki/Pyrazole,
Pyrazoles – an overview | ScienceDirect Topics

Musharrafieh, Rami published the artcileDiscovery of Quinoline Analogues as Potent Antivirals against Enterovirus D68 (EV-D68), Quality Control of 724710-02-5, the publication is Journal of Medicinal Chemistry (2019), 62(8), 4074-4090, database is CAplus and MEDLINE.

Enterovirus D68 (EV-D68) is an atypical nonpolio enterovirus that mainly infects the respiratory system of humans, leading to moderate-to-severe respiratory diseases. In rare cases, EV-D68 can spread to the central nervous system and cause paralysis in infected patients, especially young children and immunocompromised individuals. There is currently no approved vaccine or antiviral available for the prevention and treatment of EV-D68. In this study, we aimed to improve the antiviral potency and selectivity of a previously reported EV-D68 inhibitor, dibucaine, through structure-activity relationship studies. In total, 60 compounds were synthesized and tested against EV-D68 using the viral cytopathic effect assay. Three compounds 10a, 12a, and 12c were identified to have significantly improved potency (EC₅₀ < 1 μM) and a high selectivity index (>180) compared with dibucaine against five different strains of EV-D68 viruses. These compounds also showed potent antiviral activity in neuronal cells, such as A172 and SH-SY5Y cells, suggesting they might be further developed for the treatment of both respiratory infection as well as neuronal infection.

Journal of Medicinal Chemistry published new progress about 724710-02-5. 724710-02-5 belongs to pyrazoles-derivatives, auxiliary class Pyrazole,Boronic acid and ester,Pyrazole,Boronic Acids,Boronic acid and ester, name is (1H-Pyrazol-5-yl)boronic acid, and the molecular formula is C3H5BN2O2, Quality Control of 724710-02-5.

Referemce:
https://en.wikipedia.org/wiki/Pyrazole,
Pyrazoles – an overview | ScienceDirect Topics