Category: 123333-71-1

The preparation of ester heterocycles mostly uses heteroatoms as nucleophilic sites, which are achieved by intramolecular substitution or addition reactions. Compound: DL-Histidine monohydrochloride monohydrate( cas:123333-71-1 ) is researched.HPLC of Formula: 123333-71-1.Amoureux, Jean-Paul; Hu, Bingwen; Trebosc, Julien published the article 《Enhanced resolution in proton solid-state NMR with very-fast MAS experiments》 about this compound( cas:123333-71-1 ) in Journal of Magnetic Resonance. Keywords: magic angle spinning proton solid state NMR. Let’s learn more about this compound (cas:123333-71-1).

We present a new smooth amplitude-modulated (SAM) method that allows to observe highly resolved 1H spectra in solid-state NMR. The method, which works mainly at fast or ultra-fast MAS speed (ν R > 25 kHz) is complementary to previous methods, such as DUMBO, FSLG/PMLG or symmetry-based sequences. The method is very robust and efficient and does not present line-shape distortions or fake peaks. The main limitation of the method is that it requires a modern console with fast electronics that must be able to define the cosine line-shape in a smooth way, without any transient. However, this limitation mainly occurs at ultra-fast MAS where the rotation period is very short.

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Reference:
Metal catalyst and ligand design,
Ligand Template Strategies for Catalyst Encapsulation – NCBI

The reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《Water of crystallization of amino acids and their salts》. Authors are Hayashi, Koichi; Nagashima, Nobuya; Hino, Tetsuo.The article about the compound:DL-Histidine monohydrochloride monohydratecas:123333-71-1,SMILESS:O=C(O)C(N)CC1=CNC=N1.[H]Cl.[H]O[H]).COA of Formula: C6H12ClN3O3. Through the article, more information about this compound (cas:123333-71-1) is conveyed.

DTA and thermogravimetry showed the following dehydration temperatures: L-alginine dihydrate 50°, L-alginine L-aspartate monohydrate 88°, L-alginine L-glutamate trihydrate 82°, L-asparagine monohydrate 75°, DL-asparagine monohydrate 75°, K L-aspartate dihydrate 45° and 128°, Na L-aspartate monohydrate 135°, L-cysteine-HCl.-H2O 50°, L-Cysteine monohydrate 83°, DL-glutamic acid monohydrate 100° Na L-glutamate monohydrate 120°, Na DL-glutamate dihydrate 100° L-hystidine-HCl.H2O 144°, DL-hystidine-HCl.H2O 100° and 144°, L-isoleucine-HCl.H2O 80°, DL-alloisoleucine-HCl.H2O 50°, Cu L-isoleucine monohydrate 73°, L-lysine-HCl.H2O 50° and 115°, L-lysine L-glutamate dihydrate 85°,L-ornithine L-aspartate monohydrate 61°, L-proline monohydrate 50°, DL-proline monohydrate 63° and 135°, L-serine monohydrate 40° and 100°, L-valine-HCl.H2O 50°, and DL-valine-HCl.H2O 50°.

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Reference:
Metal catalyst and ligand design,
Ligand Template Strategies for Catalyst Encapsulation – NCBI

Kalakewich, Keyton; Iuliucci, Robbie; Mueller, Karl T.; Eloranta, Harriet; Harper, James K. published the article 《Monitoring the refinement of crystal structures with 15N solid-state NMR shift tensor data》. Keywords: monitoring refinement crystal structure solid state NMR shift tensor.They researched the compound: DL-Histidine monohydrochloride monohydrate( cas:123333-71-1 ).Related Products of 123333-71-1. 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:123333-71-1) here.

The 15N chem. shift tensor is extremely sensitive to lattice structure and a powerful metric for monitoring d. functional theory refinements of crystal structures. These refinements include lattice effects and are applied here to five crystal structures. All structures improve based on a better agreement between exptl. and calculated 15N tensors, with an average improvement of 47.0 ppm. Structural improvement is further indicated by a decrease in forces on the atoms by 2-3 orders of magnitude and a greater similarity in atom positions to neutron diffraction structures. These refinements change bond lengths by more than the diffraction Errors including adjustments to X-Y and X-H bonds (X, Y = C, N, and O) of 0.028 ± 0.002 Å and 0.144 ± 0.036 Å, resp. The acquisition of 15N tensors at natural abundance is challenging and this limitation is overcome by improved 1H decoupling in the FIREMAT method. This decoupling dramatically narrows linewidths, improves signal-to-noise by up to 317%, and significantly improves the accuracy of measured tensors. A total of 39 tensors are measured with shifts distributed over a range of >400 ppm. Overall, exptl. 15N tensors are at least 5 times more sensitive to crystal structure than 13C tensors due to N’s greater polarizability and larger range of chem. shifts. (c) 2015 American Institute of Physics.

If you want to learn more about this compound(DL-Histidine monohydrochloride monohydrate)Related Products of 123333-71-1, you may wish to communicate with the author of the article,or consult the relevant literature related to this compound(123333-71-1).

Reference:
Metal catalyst and ligand design,
Ligand Template Strategies for Catalyst Encapsulation – NCBI

Computed Properties of C6H12ClN3O3. The protonation of heteroatoms in aromatic heterocycles can be divided into two categories: lone pairs of electrons are in the aromatic ring conjugated system; and lone pairs of electrons do not participate. Compound: DL-Histidine monohydrochloride monohydrate, is researched, Molecular C6H12ClN3O3, CAS is 123333-71-1, about Molecular docking and dynamic studies of different Histidine derivatives as HDAC2 inhibitors. Author is Ramakrishnan, Geetha; Kandakatla, Naresh.

Histone deacetylases 2 (HDAC2) proteins belongs to Class I histone deacetylase (HDAC) family and an important target for the treatment of different types of cancer. Of the various HDAC2 inhibitors, our earlier investigations proved that presence of histidine moiety yielded better clin. results. The search of histidine containing compounds is done extensively which yielded a total of 1284 hit compounds The chosen compounds were subjected to mol. docking in the active site of HDAC2 (PDB: 3MAX) and screening done based on Lipinski rule of 5, resulted in twenty hit compounds as novel potential HDAC2 inhibitors. The careful anal. of the investigation gave the compound ZINC13282319-(2S)-2-(3-aminopropanamido)-3-(3H-imidazol-4-yl)propanoic acid as the most promising compound based on the docking score and hydrogen bond interaction. The best possible interactions of the lead compounds are simulated for stability using mol. dynamics. The results of this investigation provide valuable information on the design of highly selective histidine derivatives

There is still a lot of research devoted to this compound(SMILES：O=C(O)C(N)CC1=CNC=N1.[H]Cl.[H]O[H])Computed Properties of C6H12ClN3O3, and with the development of science, more effects of this compound(123333-71-1) can be discovered.

Reference:
Metal catalyst and ligand design,
Ligand Template Strategies for Catalyst Encapsulation – NCBI