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Heterometal-organic framework with pcu net constructed from mixed linear ligands

Under the cooperation of two linear organic ligands, a novel heterometal-organic framework [La2Cu2(ox) 2L6]·4HL (HL = 4-pyridin-4-ylbenzoic acid) with non-interpenetrated 3D pcu net was obtained. Notably, the neutral molecular HL species are observed as structure-directing agents, which in turn contribute to the stability of the framework. This journal is the Partner Organisations 2014.

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Reference:
Tetrahydroisoquinoline – Wikipedia,
1,2,3,4-Tetrahydroisoquinoline | C9H11N – PubChem

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Discovery of an MLLT1/3 YEATS Domain Chemical Probe

YEATS domain (YD) containing proteins are an emerging class of epigenetic targets in drug discovery. Dysregulation of these modified lysine-binding proteins has been linked to the onset and progression of cancers. We herein report the discovery and characterisation of the first small-molecule chemical probe, SGC-iMLLT, for the YD of MLLT1 (ENL/YEATS1) and MLLT3 (AF9/YEATS3). SGC-iMLLT is a potent and selective inhibitor of MLLT1/3?histone interactions. Excellent selectivity over other human YD proteins (YEATS2/4) and bromodomains was observed. Furthermore, our probe displays cellular target engagement of MLLT1 and MLLT3. The first small-molecule X-ray co-crystal structures with the MLLT1 YD are also reported. This first-in-class probe molecule can be used to understand MLLT1/3-associated biology and the therapeutic potential of small-molecule YD inhibitors.

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Reference:
Tetrahydroisoquinoline – Wikipedia,
1,2,3,4-Tetrahydroisoquinoline | C9H11N – PubChem

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A pair of small organic molecules with fluorescent identification function of the porous metal organic framework preparation method (by machine translation)

The invention relates to a small organic molecule with fluorescent identification function of the porous metal organic framework preparation method, comprising the following steps : (1) synthetic organic ligand the 5 […] (4 the […] pyridine -4 the […] yl-benzoyl amino)-isophthalic acid (H 2 PYBI) ; (2) synthetic Zn-MOF material: weighing Zn (NO 3) 2 · 6H 2 O and H 2 PYBI after dissolved in a solvent, in the heating reaction in the reaction kettle, after the reaction to room temperature, to obtain Zn-MOF material ; (3) preparing activated complex: heating step (2) in the guest molecule material removing Zn-MOF, the activated complex obtained. Compared with the prior art, the present invention of the small organic molecule with fluorescent identification function of the porous metal-organic framework of having high porosity, large specific surface area, rules channel, frame size and other structural characteristics can be adjusted, and the thermal stability and the chemical stability is good, can be prepared as a device to detect the nitrobenzene. (by machine translation)

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Reference:
Tetrahydroisoquinoline – Wikipedia,
1,2,3,4-Tetrahydroisoquinoline | C9H11N – PubChem

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Coordination framework hosts consisting of 4-pyridyl-substituted carboxylic acid (PCA) dimers and 1D chains of Ni2+ and SCN-: A rational structural extension toward coordination framework hosts with large rectangular cavities

For the expansion of a rectangular cavity (RC) defined by two isonicotinic acid (isoH) dimers as bridging ligands and two SCN bridges, we conducted a structural extension based on the elongation of the bridging ligands by the replacement of isoH with longer 4-pyridyl-substituted carboxylic acid (PCA). For this purpose, the following three PCAs have been employed: trans-3-(4-pyridyl) propenoic acid (acrylH), 4-(4-pyridyl)benzoic acid (pybenH), and trans-3-(4-(4-pyridyl)phenyl)propenoic acid (pppeH). Self-assembly of Ni 2+, SCN-, and each of four PCAs involving isoH, acrylH, pybenH, and pppeH in the presence of an aromatic guest gave four inclusion compounds formulated as [Ni(SCN)2(isoH)2]·1/ 2(benz[a]anthracene) (1), [Ni(SCN)2(acrylH)2]·1/ 2(benz[a]anthracene) (2), [Ni(SCN)2(pybenH)2] ·(pyrene) (3), and [Ni(SCN)2(pppeH)2] 3/2·(benz[a]anthracene) (4). X-ray crystal structural determination of 1-4 revealed that the proposed structural extension was successful. Their crystal structures are layered structures of two-dimensional (2D) grid-type coordination frameworks (2D host layers) framed with bridging ligands of the corresponding PCA dimers and 1D chains consisting of Ni 2+ ions and mu1,3-SCN- ions. The lengths of the PCA dimers are 12.269(5) A (isoH dimer), 16.890(4) A (acrylH dimer), 20.89(2) A (pybenH dimer), 25.387(3) A (pppeH dimer A), and 25.527-(4) A (pppeH dimer B). Each 2D host layer has RCs defined by the two corresponding PCA dimers and the two SCN bridges. The dimensions of RCs are expanded in proportion to the increase in the lengths of the PCA dimers: 29.52 x 5.60-7.20 A2 (4) > 24.95 x 5.46-7.38 A2 (3) > 20.88 x 5.49-7.25 A2 (2) > 16.41 x 5.53-7.43 A2 (1). These expansions reflect the number of aromatic guests that can be included in RCs. RC of 1 include only one molecule of benz[a]anthracene, whereas RCs of 3 or 4 includes two molecules of pyrene or benz[a]anthracene, respectively. Comparison of the lengths between the PCA dimers and 4,4?-bipyridine-type ligands demonstrated that a design strategy – the preparation of a bridging ligand through self-assembly of two PCAs – is both efficient and particularly suitable for the preparation of very long bridging ligands.

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Reference:
Tetrahydroisoquinoline – Wikipedia,
1,2,3,4-Tetrahydroisoquinoline | C9H11N – PubChem

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Coordination-Driven Self-assembly of Cyclopentadienyl-Capped Heterometallic Zr-Pd Cages

A series of heterometallic Zr3Pd3-trigonal bipyramidal compounds (1-4) was synthesized by two-component coordination-driven self-assembly of cis-protected palladium(II) 90 acceptors with trinuclear carboxylate-bridged zirconocene-based tripodal metallo-ligands. To avoid multiple product formation using two different metal acceptors, we chose trinuclear Zr(IV) metallo-ligands as donors. All the compounds were characterized by NMR and single crystal X-ray diffraction. Among the compounds, the water-soluble compound 2 is capable to encapsulate aromatic guests such as naphthalene and 2-naphthaldehyde. The encapsulation of the guests was confirmed by NMR and UV-vis spectrometry. The binding constants as well as corresponding Gibbs free energy changes were calculated separately from the 1H NMR titration of compound 2 with guests (naphthalene/2-naphthaldehyde).

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Reference:
Tetrahydroisoquinoline – Wikipedia,
1,2,3,4-Tetrahydroisoquinoline | C9H11N – PubChem

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Towards optimization of arylamides as novel, potent, and brain-penetrant antiprion lead compounds

The prion diseases caused by PrPSc, an alternatively folded form of the cellular prion protein (PrPC), are rapidly progressive, fatal, and untreatable neurodegenerative disorders. We employed HTS ELISA assays to identify compounds that lower the level of PrPSc in prion-infected mouse neuroblastoma (ScN2a-cl3) cells and identified a series of arylamides. Structure-activity relationship (SAR) studies indicated that small amides with one aromatic or heteroaromatic ring on each side of the amide bond are of modest potency. Of note, benzamide (7), with an EC50 of 2200 nM, was one of only a few arylamide hits with a piperazine group on its aniline moiety. The basic piperazine nitrogen can be protonated at physiologic pH, improving solubility, and therefore, we wanted to exploit this feature in our search for a drug candidate. An SAR campaign resulted in several key analogues, including a set with biaryl groups introduced on the carbonyl side for improved potency. Several of these biaryl analogues have submicromolar potency, with the most potent analogue 17 having an EC50 = 22 nM. More importantly, 17 and several biarylamides (20, 24, 26, and 27) were able to traverse the blood-brain barrier (BBB) and displayed excellent drug levels in the brains of mice following oral dosing. These biarylamides may represent good starting points for further lead optimization for the identification of potential drug candidates for the treatment of prion diseases.

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Reference:
Tetrahydroisoquinoline – Wikipedia,
1,2,3,4-Tetrahydroisoquinoline | C9H11N – PubChem

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Novel crystalline forms of a factor Xa inhibitor

The present invention relates to novel crystalline forms of an inhibitor of Factor Xa, processes for its preparation, compositions comprising it, and its therapeutic use.

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Reference:
Tetrahydroisoquinoline – Wikipedia,
1,2,3,4-Tetrahydroisoquinoline | C9H11N – PubChem

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Methanol mediated crystal transformations in a solvatochromic metal organic framework constructed from Co(ii) and 4-(4-pyridyl) benzoate

The structural transformations of compound 1 {[Co(44pba)2] 4·(DMF)3·(EtOH) 0.25·(H2O)4}n [44pba = 4-(4-pyridyl) benzoate] were followed during the exchange of DMF and ethanol molecules by methanol at room temperature. The new phases obtained 2 {[Co(44pba)2]·(MeOH)2.5·(H 2O)}n, 3 {[Co(44pba)2(MeOH)2] 2·(MeOH)2.5·(H2O) 2}n and 4 {[Co(44pba)2(MeOH) 2]·(MeOH)0.5·(H2O) 0.5}n were studied using differential scanning calorimetry, thermogravimetric analysis and X-ray diffraction methods. The final phase 4 reverts back to 1 upon soaking 4 in a dry DMF-ethanol mixture as evidenced by the powder diffraction data and infrared spectra.

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Reference:
Tetrahydroisoquinoline – Wikipedia,
1,2,3,4-Tetrahydroisoquinoline | C9H11N – PubChem

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Recent progress in asymmetric catalysis and chromatographic separation by chiral metal?organic frameworks

Metal?organic frameworks (MOFs), as a new class of porous solid materials, have emerged and their study has established itself very quickly into a productive research field. This short review recaps the recent advancement of chiral MOFs. Here, we present simple, well-ordered instances to classify the mode of synthesis of chiral MOFs, and later demonstrate the potential applications of chiral MOFs in heterogeneous asymmetric catalysis and enantioselective separation. The asymmetric catalysis sections are subdivided based on the types of reactions that have been successfully carried out recently by chiral MOFs. In the part on enantioselective separation, we present the potentiality of chiral MOFs as a stationary phase for high-performance liquid chromatography (HPLC) and high-resolution gas chromatography (GC) by considering fruitful examples from current research work. We anticipate that this review will provide interest to researchers to design new homochiral MOFs with even greater complexity and effort to execute their potential functions in several fields, such as asymmetric catalysis, enantiomer separation, and chiral recognition.

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Reference:
Tetrahydroisoquinoline – Wikipedia,
1,2,3,4-Tetrahydroisoquinoline | C9H11N – PubChem

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Two novel isostructural polyoxometalate (POM)-based metal-organic frameworks (MOFs) with diamond topology, NENU-506 and NENU-507, were hydrothermally synthesized. They not only combine the advantages of both POMs and MOFs, but also show excellent chemical and thermal stability. Notably, NENU-507 exhibited a high reversible capacity of 640 mA h g-1 after 100 cycles when applied as an anode material in lithium-ion batteries.

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Reference:
Tetrahydroisoquinoline – Wikipedia,
1,2,3,4-Tetrahydroisoquinoline | C9H11N – PubChem