Category: 111-24-0

Computed Properties of C5H10Br2. So far, in addition to halogen atoms, other non-metallic atoms can become part of the aromatic heterocycle, and the target ring system is still aromatic. Compound: 1,5-Dibromopentane, is researched, Molecular C5H10Br2, CAS is 111-24-0, about Synthesis of ETS-10-like vanadosilicates using 2,6-dimethylpiperidinium cation derivatives as organic templates.

Systematic vanadosilicate syntheses were performed using derivatives of 2,6-dimethylpiperidine as organic structure-directing agents (SDAs). Physicochem. analyses of the vanadosilicate materials obtained were carried out by X-ray diffraction (XRD), Raman spectroscopy, IR spectroscopy, UV-visible (UV-Vis) spectroscopy, and solid-state NMR spectroscopy (29Si and 51V MAS NMR). The exptl. results indicated that the presence of the organic templates had different effects on the final phases of the synthesized vanadosilicates. The XRD results showed that 1,1,2,6-tetramethylpiperidinium (SDA 1) favored synthesis of the known AM-6 vanadosilicates, isostructural to the ETS-10 titanosilicate, while the other organic templates 1,1-diethyl-2,6-dimethylpiperidinium (SDA 2), 6,10-dimethyl-5-azoniaspiro[4.5]decane (SDA 3), and 1,5-dimethyl-6-azoniaspiro[5.5]undecane (SDA 4) directed the formation of vanadosilicates with different phases, such as EVS-10. Strong Raman bands at 870 and 1035 cm-1 indicated vibrational modes associated with the highly sym. vanadia octahedra. Chem. shifts at -96 ppm (29Si MAS NMR), -610, and -570 ppm (51V MAS NMR) provided further evidence of the incorporation of vanadium into the structures of the vanadosilicates prepared using these novel derivatives of 2,6-dimethylpiperidinium cations as SDAs.

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Reference:
Chiral nitrogen ligands in late transition metal-catalysed asymmetric synthesis—I. Addressing the problem of ligand lability in rhodium-catalysed hydrosilations,
Nitrogen-Containing Ligands for Asymmetric Homogeneous and Heterogeneous Catalysis

So far, in addition to halogen atoms, other non-metallic atoms can become part of the aromatic heterocycle, and the target ring system is still aromatic.Arakawa, Yuki; Komatsu, Kenta; Inui, Satoyoshi; Tsuji, Hideto researched the compound: 1,5-Dibromopentane( cas:111-24-0 ).Computed Properties of C5H10Br2.They published the article 《Thioether-linked liquid crystal dimers and trimers: The twist-bend nematic phase》 about this compound( cas:111-24-0 ) in Journal of Molecular Structure. Keywords: thioether linked biphenylcyanide dimer trimer liquid crystal preparation. We’ll tell you more about this compound (cas:111-24-0).

Systematic synthesis of thioether-linked dimers and trimers was carried out to reveal mol. designs for inducing mesophases and twist-bend nematic (NTB) phases. A five-fold approach based on mol. structural parameters including the terminal substituent, the position of the thioether bond, the nature of the bridge bond linking benzene rings in the mesogenic fragments, the nature of bonds at the linkage on the side oppose to the thioether linkage, and oligomeric effect was evaluated. Dimers with cyano groups at the 4,4′-positions in each mesogenic fragment of the thioether-based dimeric system were found to afford a large long-axis directional dipole moment in the fragments and exhibited potential for application as mesogens, with some mols. indicating the ability to form NTB phase. The dimers containing the thioether bond as a part of the spacer and not at the linkage position to the mesogenic fragments deteriorate as twist-bend nematogens but behave as traditional nematogens. Also, imine-, azo- and triple-bond bridged mesogenic fragments lead the dimers to be twist-bend nematogenic. Notably, all asym. thioether-linked cyanobiphenyl dimers with different functional bonds at the linkage on the side oppose to the thioether linkage, such as methylene, ketone, and two-typed esters (C=OO and OC=O) can form NTB phases, with some of them retaining the phase upon cooling to room temperature, which highlights the utility of thioether linkage in the mol. design of twist-bend nematogens. In the trimer system (or oligomeric effect), a cyanobiphenyl-based trimer composed of interior ether and exterior thioether linkers formed an NTB phase. This paper, for the first time, not only reveals the systematic mol. design of thioether-linked dimers but also offers the prospect of the thioether-linked oligomers, for twist-bend nematic liquid crystals.

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Reference:
Chiral nitrogen ligands in late transition metal-catalysed asymmetric synthesis—I. Addressing the problem of ligand lability in rhodium-catalysed hydrosilations,
Nitrogen-Containing Ligands for Asymmetric Homogeneous and Heterogeneous Catalysis

In organic chemistry, atoms other than carbon and hydrogen are generally referred to as heteroatoms. The most common heteroatoms are nitrogen, oxygen and sulfur. Now I present to you an article called Synthesis and antiviral activity of a series of novel quinoline derivatives as anti-RSV or anti-IAV agents, published in 2021-03-15, which mentions a compound: 111-24-0, mainly applied to quinoline preparation antiviral activity antiRSV antiIAV agent; Anti-IAV; Anti-RSV; Quinoline derivatives; Structure-activity relationships; Synthesis, Application of 111-24-0.

The synthesis of a series of novel quinoline derivatives, I [R = pyrrolidin-1-yl, methylamino, morpholin-4-yl, etc; R1 = benzyl, adamantan-1-yl, furan-2-ylmethyl, etc; R2 = H; R1R2 = -(CH2)2O(CH2)2-], II (n = 3, 4, 5) based on the lead compound I (R = pyrrolidin-1-yl; R1 = benzyl; R2 = H) (III), identified from a rRSV-mGFP high-throughput screening assay was reported. The results revealed that target compounds I (R = pyrrolidin-1-yl, R1 = 4-fluorobenzyl, R2 = H; R = pyrrolidin-1-yl, R1 = 4-methoxybenzyl, R2 = H; R = pyrrolidin-1-yl, R1 = 3-methoxybenzyl, R2 = H; R = dimethylamino, R1 = benzyl, R2 = H; R = (S)-3-tert-butoxycarbonylaminopyrrolidin-1-yl, R1 = benzyl, R2 = H) (IC50 = 3.10-6.93μM) had good in vitro activity against RSV, which were better than I (R = pyrrolidin-1-yl, R1 = benzyl, R2 = H) and ribavirin. In addition, it is found that compound I (R = 1-tert-butoxycarbonylpiperazin-4-yl, R1 = benzyl, R2 = H) displayed the lower cytotoxicity (CC50: 2490.33μM) and the highest selective index (SI = 673.06), suggest its promising potential as a candidate for further development. On the other hand, some compounds (IC50: 1.87-14.28μM) were more active against IAV than or comparable to ribavirin (IC50: 15.36 ± 0.93μM). Particularly, the most active compound I (R = (S)-3-tert-butoxycarbonylaminopyrrolidin-1-yl, R1 = benzyl, R2 = H) (IC50: 1.87 ± 0.58μM) was found to be 8.2-fold more potent than the reference drug, which could inhibit the virus transcription and replication cycle at an early stage.

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Reference:
Chiral nitrogen ligands in late transition metal-catalysed asymmetric synthesis—I. Addressing the problem of ligand lability in rhodium-catalysed hydrosilations,
Nitrogen-Containing Ligands for Asymmetric Homogeneous and Heterogeneous Catalysis

The three-dimensional configuration of the ester heterocycle is basically the same as that of the carbocycle. Compound: 1,5-Dibromopentane(SMILESS: BrCCCCCBr,cas:111-24-0) is researched.Reference of 2-Aminoquinazolin-4(3H)-one. The article 《Design, synthesis and biological evaluation of new carbazole-coumarin hybrids as dual binding site inhibitors of acetylcholinesterase》 in relation to this compound, is published in Journal of Molecular Structure. Let’s take a look at the latest research on this compound (cas:111-24-0).

Twelve carbazole-coumarin hybrids I (n = 2, 3, 4, 5; R = H, Me) and II were synthesized and biol. evaluated as dual binding site acetylcholinesterase inhibitors. The compound II (n = 3) had the crystal system of triclinic and the space group of P-1. The cholinesterase inhibitory activity of synthesized compounds I and II was measured using colorimetric Ellman’s method. Compound I [n = 5; R = Me] (III) exhibited good acetylcholinesterase (AChE) inhibitory activity (IC50 value of 6.72μM) and a high selectivity over butyrylcholinesterase (BuChE). Compound II (n = 4) showed the best BuChE inhibitory activity with the IC50 of 0.50μM. The SAR studies revealed that the linker length played a crucial role in determining AChE inhibitory activity and the structure of the coumarin moieties affected the BuChE-inhibition activities of the hybrids. Mol. docking study of compound III indicated that it interacts with the crucial amino acids present at the catalytic active site and peripheral anionic site of AChE. Compound III would be a promising drug candidate to treat AD as a selective and dual binding site inhibitor of AChE.

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Reference:
Chiral nitrogen ligands in late transition metal-catalysed asymmetric synthesis—I. Addressing the problem of ligand lability in rhodium-catalysed hydrosilations,
Nitrogen-Containing Ligands for Asymmetric Homogeneous and Heterogeneous Catalysis

So far, in addition to halogen atoms, other non-metallic atoms can become part of the aromatic heterocycle, and the target ring system is still aromatic.Boothello, Rio S.; Sankaranarayanan, Nehru Viji; Afosah, Daniel K.; Karuturi, Rajesh; Al-Horani, Rami A.; Desai, Umesh R. researched the compound: 1,5-Dibromopentane( cas:111-24-0 ).COA of Formula: C5H10Br2.They published the article 《Studies on fragment-based design of allosteric inhibitors of human factor XIa》 about this compound( cas:111-24-0 ) in Bioorganic & Medicinal Chemistry. Keywords: fragment based drug design coagulation factors anticoagulants heparins allosterism; Allosterism; Anticoagulants; Coagulation factors; Fragment-based drug design; Heparins. We’ll tell you more about this compound (cas:111-24-0).

Human factor XIa (hFXIa) has emerged as an attractive target for development of new anticoagulants that promise higher level of safety. Different strategies have been adopted so far for the design of anti-hFXIa mols. including competitive and non-competitive inhibition. Of these, allosteric dysfunction of hFXIa′s active site is especially promising because of the possibility of controlled reduction in activity that may offer a route to safer anticoagulants. In this work, we assess fragment-based design approach to realize a group of novel allosteric hFXIa inhibitors. Starting with our earlier discovery that sulfated quinazolinone (QAO) bind in the heparin-binding site of hFXIa, we developed a group of two dozen dimeric sulfated QAOs with intervening linkers that displayed a progressive variation in inhibition potency. In direct opposition to the traditional wisdom, increasing linker flexibility led to higher potency, which could be explained by computational studies. Sulfated QAO 19S(I) was identified as the most potent and selective inhibitor of hFXIa. Enzyme inhibition studies revealed that 19S utilizes a non-competitive mechanism of action, which was supported by fluorescence studies showing a classic sigmoidal binding profile. Studies with selected mutants of hFXIa indicated that sulfated QAOs bind in heparin-binding site of the catalytic domain of hFXIa. Overall, the approach of fragment-based design offers considerable promise for designing heparin-binding site-directed allosteric inhibitors of hFXIa.

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Reference:
Chiral nitrogen ligands in late transition metal-catalysed asymmetric synthesis—I. Addressing the problem of ligand lability in rhodium-catalysed hydrosilations,
Nitrogen-Containing Ligands for Asymmetric Homogeneous and Heterogeneous Catalysis

Bhattarai, Ajaya; Saha, Bidyut; Jaffari, Zeeshan Haider; Rub, Malik Abdul; Alghamdi, Yousef G.; Kumar, Dileep published the article 《Analysis of interaction between glutamic acid and ninhydrin in the presence of acetate buffer solvent: Impact of gemini (twin-headed) surfactants》. Keywords: glutamic acid ninhydrin acetate buffer gemini surfactant.They researched the compound: 1,5-Dibromopentane( cas:111-24-0 ).Recommanded Product: 111-24-0. Aromatic heterocyclic compounds can be divided into two categories: single heterocyclic and fused heterocyclic. In addition, there is a lot of other information about this compound (cas:111-24-0) here.

This study analyses the impact of twin-headed gemini surfactants on the interaction between glutamic acid (Glu) and a ninhydrin (Nin) in an acetate buffer. Analyses were observed using a UV-vis spectrophotometer and values of absorbance were recorded at fixed time intermissions. The impact of parameters such as pH, temperature, [Glu], and [Nin] was examined on reaction in gemini surfactants. Using a conductometric technique, elec. conductivities of pure geminis and their mixed systems were noted. Using these data, thus, cmc values of pure geminis and their mixed system were measured. By varying different parameters, the rate constant (kψ-value) was evaluated on finishing each kinetic run using a computer-based procedure. The study showed that twin-headed gemini surfactants demonstrated an excellent impact on the titled reaction over the aqueous system although 16-4-16 catalyzed the study more among geminis and followed the abilities to catalyze at each concentration as 16-4-16 > 16-5-16 > 16-6-16. Our goal was to assess the impact of varied gemini surfactants on rate constant and thus, a pseudo-phase model for micellar activity was applied. A low pos. value of ΔH# with a large neg. ΔS# was obtained in geminis than for aqueous solutions A probable reaction mechanism is discussed.

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Reference:
Chiral nitrogen ligands in late transition metal-catalysed asymmetric synthesis—I. Addressing the problem of ligand lability in rhodium-catalysed hydrosilations,
Nitrogen-Containing Ligands for Asymmetric Homogeneous and Heterogeneous Catalysis

In general, if the atoms that make up the ring contain heteroatoms, such rings become heterocycles, and organic compounds containing heterocycles are called heterocyclic compounds. An article called Synthesis, characterization, crystal structure and evaluation of four carbazole-coumarin hybrids as multifunctional agents for the treatment of Alzheimer’s disease, published in 2020-06-05, which mentions a compound: 111-24-0, Name is 1,5-Dibromopentane, Molecular C5H10Br2, Category: chiral-nitrogen-ligands.

Coupling of two distinct pharmacophores carbazole and coumarin endowed with different biol. properties afforded four hybrid compounds I [n = 3,5] and II. The structures of the carbazole-coumarin hybrids I and II were characterized by FT-IR, NMR, HRMS and single-crystal X-ray diffraction studies. All of these compounds I and II exhibited significant acetylcholinesterase inhibitory activities. Among them, compound II [n = 5] exhibited the best inhibition activity with IC50 of 3.75μM for acetylcholinesterase from elec. eel and 70.51μM for human recombinant acetylcholinesterase. Moreover, the compound I [n = 3] was showed the best antioxidant activity. The docking studies demonstrated that compound II [n = 5] could interacted with both the catalytic active site and the peripheral anionic site of acetylcholinesterase. These attributed imply carbazole-coumarin hybrids as multifunctional agents for the Alzheimer’s disease treatment.

In some applications, this compound(111-24-0)Category: chiral-nitrogen-ligands is unique.If you want to know more details about this compound, you can contact with the author or consult more relevant literature.

Reference:
Chiral nitrogen ligands in late transition metal-catalysed asymmetric synthesis—I. Addressing the problem of ligand lability in rhodium-catalysed hydrosilations,
Nitrogen-Containing Ligands for Asymmetric Homogeneous and Heterogeneous Catalysis

Quality Control of 1,5-Dibromopentane. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: 1,5-Dibromopentane, is researched, Molecular C5H10Br2, CAS is 111-24-0, about Discovery of M-1121 as an Orally Active Covalent Inhibitor of Menin-MLL Interaction Capable of Achieving Complete and Long-Lasting Tumor Regression. Author is Zhang, Meng; Aguilar, Angelo; Xu, Shilin; Huang, Liyue; Chinnaswamy, Krishnapriya; Sleger, Taryn; Wang, Bo; Gross, Stefan; Nicolay, Brandon N.; Ronseaux, Sebastien; Harvey, Kaitlin; Wang, Yu; McEachern, Donna; Kirchhoff, Paul D.; Liu, Zhaomin; Stuckey, Jeanne; Tron, Adriana E.; Liu, Tao; Wang, Shaomeng.

Targeting the menin-MLL protein-protein interaction is being pursued as a new therapeutic strategy for the treatment of acute leukemia carrying MLL-rearrangements (MLLr leukemia). Herein, we report M-1121(I), a covalent and orally active inhibitor of the menin-MLL interaction capable of achieving complete and persistent tumor regression. M-1121 (I) establishes covalent interactions with Cysteine 329 located in the MLL binding pocket of menin and potently inhibits growth of acute leukemia cell lines carrying MLL translocations with no activity in cell lines with wild-type MLL. Consistent with the mechanism of action, M-1121 (I) drives dose-dependent down-regulation of HOXA9 and MEIS1 gene expression in the MLL-rearranged MV4;11 leukemia cell line. M-1121 (I) is orally bioavailable and shows potent antitumor activity in vivo with tumor regressions observed at tolerated doses in the MV4;11 s.c. and disseminated models of MLL-rearranged leukemia. Together, our findings support development of an orally active covalent menin inhibitor as a new therapy for MLLr leukemia.

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Reference:
Chiral nitrogen ligands in late transition metal-catalysed asymmetric synthesis—I. Addressing the problem of ligand lability in rhodium-catalysed hydrosilations,
Nitrogen-Containing Ligands for Asymmetric Homogeneous and Heterogeneous Catalysis

The chemical properties of alicyclic heterocycles are similar to those of the corresponding chain compounds. Compound: 1,5-Dibromopentane, is researched, Molecular C5H10Br2, CAS is 111-24-0, about Effect of linker length on photo-cross-linking position mediated by click chemistry via [2 + 2]photocycloaddition, the main research direction is cyanovinylcarbazole photocross linker photocycloaddition.COA of Formula: C5H10Br2.

Ultrafast reversible DNA/RNA photo-crosslinking is a powerful tool for regulating the target strand in living cells. In particular, 3-cyanovinylcarbazole (CNVK) and 3-cyanovinylcarbazole modified by D-threoninol (CNVD) can photo-cross-link to pyrimidine bases within a few seconds of photoirradiation However, these photo-cross-linkers can only cross-link to the counter base if it is adjacent to the 5′-side (-1 position). In this study, we synthesized novel photo-cross-linkers with varying linker lengths capable of photo-crosslinking with pyrimidine bases at locations other than the -1 position via click chem. The photo-crosslinking site was dependent on linker length.

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Reference:
Chiral nitrogen ligands in late transition metal-catalysed asymmetric synthesis—I. Addressing the problem of ligand lability in rhodium-catalysed hydrosilations,
Nitrogen-Containing Ligands for Asymmetric Homogeneous and Heterogeneous Catalysis

Safety of 1,5-Dibromopentane. The reaction of aromatic heterocyclic molecules with protons is called protonation. Aromatic heterocycles are more basic than benzene due to the participation of heteroatoms. Compound: 1,5-Dibromopentane, is researched, Molecular C5H10Br2, CAS is 111-24-0, about Crystal structure and halogen-hydrogen bonding of a Delepine reaction intermediate. Author is Mulrooney, David Z. T.; Muller-Bunz, Helge; Keene, Tony D..

The reaction of 1,5-dibromopentane with urotropine results in crystals of the title mol. salt, 5-bromourotropinium bromide [systematic name: 1-(5-bromopentyl)-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane bromide], C11H22BrN4+·Br- (1), crystallizing in space group P21/n. The packing in compound 1 is directed mainly by H···H van der Waals interactions and C-H···Br hydrogen bonds, as revealed by Hirshfeld surface anal. Comparison with literature examples of alkylurotropinium halides shows that the interactions in 1 are consistent with those in other bromides and simple chloride and iodide species.

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Reference:
Chiral nitrogen ligands in late transition metal-catalysed asymmetric synthesis—I. Addressing the problem of ligand lability in rhodium-catalysed hydrosilations,
Nitrogen-Containing Ligands for Asymmetric Homogeneous and Heterogeneous Catalysis