Category: 79815-20-6

On October 31, 2019, Zhang, Yin-Jun; Chen, Chang-Sheng; Liu, Hao-Tian; Chen, Jia-Lin; Xia, Ying; Wu, Shi-Jin published an article.Computed Properties of 79815-20-6 The title of the article was Purification, identification and characterization of an esterase with high enantioselectivity to (S)-ethyl indoline-2-carboxylate. And the article contained the following:

Objective: To purify an esterase which can selectively hydrolyze (R,S)-Et indoline-2-carboxylate to produce (S)-indoline-2-carboxylic acid and characterize its enzymic properties. Results: An intracellular esterase from Bacillus aryabhattai B8W22 was isolated and the purified protein was identified as a carboxylesterase by MALDI-TOF mass spectrometry. The enzyme (named BaCE) was 59.03-fold purification determined to be of approx. 35 kDa. Its specific activity was 0.574 U/mL with 20% yield. The enzyme showed maximum activity at pH 8.5 and 30°C and was stable at 20-30°C using pNPB as the substrate. The esterase demonstrated high enantioselectivity toward (S)-Et indoline-2-carboxylate with 96.55% e.e.p at 44.39% conversion, corresponding to an E value of 133.45. Conclusions: In this study, a new esterase BaCE with an apparent mol. mass of 35 kDa was purified to homogeneity for the first time. The esterase from Bacillus aryabhattai B8W22 was isolated with a purification more than 59-fold and a yield of 20% by anion exchange chromatog. and hydrophobic interaction chromatog. And its biochem. characterization were described in detail with pNPB as substrate. It displayed high enantioselectivity toward (S)-Et indoline-2-carboxylate. We next plan to highly express esterase BaCE in Escherichia coli, and apply it to industrial production of (S)-indoline-2-carboxylic acid. The experimental process involved the reaction of H-Idc-OH(cas: 79815-20-6).Computed Properties of 79815-20-6

The Article related to esterase enantioselectivity ethyl indoline 2carboxylate, (s)-indoline-2-carboxylic acid, bacillus aryabhattai b8w22, characterization, esterase, purification, Enzymes: Separation-Purification-General Characterization and other aspects.Computed Properties of 79815-20-6

Referemce:
Indole alkaloid derivatives as building blocks of natural products from Bacillus thuringiensis and Bacillus velezensis and their antibacterial and antifungal activity study,
Preparation of Indole Containing Building Blocks for the Regiospecific Construction of Indole Appended Pyrazoles and Pyrroles

On September 5, 2014, Chen, Hui; Wang, Jiang; Zhou, Shengbin; Liu, Hong published an article.COA of Formula: C9H9NO2 The title of the article was Asymmetric Synthesis of Chiral Heterocyclic Amino Acids via the Alkylation of the Ni(II) Complex of Glycine and Alkyl Halides. And the article contained the following:

An investigation into the reactivity profile of alkyl halides led to the development of a new method for the asym. synthesis of chiral heterocyclic amino acids. This protocol involves the asym. alkylation of the Ni(II) complex of glycine, [NiL] (H2L = N-[phenyl[2-[[[(2S)-1-(phenylmethyl)-2-pyrrolidinyl]carbonyl]amino]phenyl]methylene]-glycine), to form an intermediate, which then decomposes to form valuable chiral amino acids in high yields and with excellent diastereoselectivity. The chiral amino acids underwent a smooth intramol. cyclization process to afford the valuable chiral heterocyclic amino acids in high yields and enantioselectivities. This result paves the way for the development of a new synthetic method for chiral heterocyclic amino acids. The experimental process involved the reaction of H-Idc-OH(cas: 79815-20-6).COA of Formula: C9H9NO2

The Article related to nickel pyrrolidinylcarbonylaminophenylmethyleneglycine complex preparation alkylation, asym preparation chiral heterocyclic amino acid, Inorganic Chemicals and Reactions: Coordination Compounds and other aspects.COA of Formula: C9H9NO2

Referemce:
Indole alkaloid derivatives as building blocks of natural products from Bacillus thuringiensis and Bacillus velezensis and their antibacterial and antifungal activity study,
Preparation of Indole Containing Building Blocks for the Regiospecific Construction of Indole Appended Pyrazoles and Pyrroles

Saravanan Prabhu, Nadarajan; Ayyadurai, Niraikulam; Deepankumar, Kanagavel; Chung, Taeowan; Lim, Dong Joon; Yun, Hyungdon published an article in 2012, the title of the article was Reassignment of sense codons: Designing and docking of proline analogs for Escherichia coli prolyl-tRNA synthetase to expand the genetic code.Computed Properties of 79815-20-6 And the article contains the following content:

Amino acyl-tRNA synthetases (AARSs) play a vital role in protein synthesis by catalyzing the aminoacylation of tRNA with its cognate amino acid. More recently, the endogenous AARS has been reported to recognize the close structural analogs of its cognate amino acid and helps in the in vitro and in vivo incorporation of analogs into recombinant proteins. By exploiting this substrate promiscuity, a number of non-canonical amino acids were successfully incorporated into the recombinant proteins. However, the incorporation efficiency varies with the different structural analogs depending on their reactivity towards the tRNA synthetases, which is due to the interaction and accommodation in the active site. Here, to analyze the incorporation efficiency of different proline analogs and to predict the active site residues responsible for the recognition, we carried out mol. docking study with the modeled Escherichia coli prolyl-tRNA synthetase (EcProRS). We also mapped the binding mode for the reported, virtually generated proline analogs and compared it with the reported crystal structure. The reactivity of the reported analogs was correlated with the biochem. data with respect to their interaction and orientation in the active site, which demonstrates the role of active site residues for the recognition of proline analogs and some new substrates such as chloro, bromo and iodoproline for EcProRS. We also rationally designed a EcProRS mutant for desired proline analog and validated by docking simulation with 3D model structure. The experimental process involved the reaction of H-Idc-OH(cas: 79815-20-6).Computed Properties of 79815-20-6

The Article related to sense codon docking proline escherichia prolyl trna synthetase modeling, Enzymes: Separation-Purification-General Characterization and other aspects.Computed Properties of 79815-20-6

Referemce:
Indole alkaloid derivatives as building blocks of natural products from Bacillus thuringiensis and Bacillus velezensis and their antibacterial and antifungal activity study,
Preparation of Indole Containing Building Blocks for the Regiospecific Construction of Indole Appended Pyrazoles and Pyrroles

Deb, Indubhusan; Coiro, Daniel J.; Seidel, Daniel published an article in 2011, the title of the article was Decarboxylative formation of N-alkyl pyrroles from 4-hydroxyproline.HPLC of Formula: 79815-20-6 And the article contains the following content:

N-Alkyl pyrroles are obtained in a single step from trans-4-hydroxyproline and aldehydes or ketones in just 15 min under microwave irradiation E.g., benzoic acid-catalyzed reaction of trans-4-hydroxyproline and 4-ClC6H4CHO gave 73% N-alkyl pyrrole I. The experimental process involved the reaction of H-Idc-OH(cas: 79815-20-6).HPLC of Formula: 79815-20-6

The Article related to hydroxyproline reaction aldehyde ketone, alkyl pyrrole decarboxylative preparation, Heterocyclic Compounds (One Hetero Atom): Pyrroles and Pyrrolizines and other aspects.HPLC of Formula: 79815-20-6

Referemce:
Indole alkaloid derivatives as building blocks of natural products from Bacillus thuringiensis and Bacillus velezensis and their antibacterial and antifungal activity study,
Preparation of Indole Containing Building Blocks for the Regiospecific Construction of Indole Appended Pyrazoles and Pyrroles

On April 30, 2012, Sikorska, Emilia; Sobolewski, Dariusz; Kwiatkowska, Anna published an article.Recommanded Product: H-Idc-OH The title of the article was Conformational preferences of proline derivatives incorporated into vasopressin analogues: NMR and molecular modelling studies. And the article contained the following:

In this study, arginine vasopressin analogs modified with proline derivatives – indoline-2-carboxylic acid (Ica), (2S,4R)-4-(naphthalene-2-ylmethyl)pyrrolidine-2-carboxylic acid (Nmp), (2S,4S)-4-aminopyroglutamic acid (APy) and (2R,4S)-4-aminopyroglutamic acid, (Apy) – were examined using NMR spectroscopy and mol. modeling methods. The results have shown that Ica is involved in the formation of the cis peptide bond. Moreover, it reduces to a great extent the conformational flexibility of the peptide. In turn, incorporation of (2S,4R)-Nmp stabilizes the backbone conformation, which is heavily influenced by the pyrrolidine ring. However, the aromatic part of the Nmp side chain exhibits a high degree of conformational freedom. With analogs [(2S,4S)-4-aminopyroglutamic acid2-3]AVP and [(2R,4S)-4-aminopyroglutamic acid2-3]AVP, introduction of the 4-aminopyroglutamic acid reduces locally conformational space of the peptides, but it also results in weaker interactions with the dodecylphosphocholine/SDS micelle. Admittedly, both analogs are adsorbed on the micelle’s surface but they do not penetrate into its core. With analog [(2R,4S)-4-aminopyroglutamic acid2-3]AVP, the interactions between the peptide and the micelle seem to be so weak that conformational equilibrium is established between different bound states. The experimental process involved the reaction of H-Idc-OH(cas: 79815-20-6).Recommanded Product: H-Idc-OH

The Article related to arginine vasopressin proline derivative nmr mol modeling conformation preference, Mammalian Hormones: Structure and Structure-Activity Relations and other aspects.Recommanded Product: H-Idc-OH

Referemce:
Indole alkaloid derivatives as building blocks of natural products from Bacillus thuringiensis and Bacillus velezensis and their antibacterial and antifungal activity study,
Preparation of Indole Containing Building Blocks for the Regiospecific Construction of Indole Appended Pyrazoles and Pyrroles

On December 31, 2019, Li, Jie; Yao, Jiaqi; He, Weiping; Yang, Fan; Liu, Xiaoming published an article.Safety of H-Idc-OH The title of the article was Modular Synthesis of New Bicyclic Carbene Precursors. And the article contained the following:

A series of new N-heterocyclic carbene (NHC) precursors, containing bicyclic pyrrolo[1,2-c]imidazole framework, were prepared from N-(tert-butoxycarbonyl)-L-proline (1-Boc-L-proline). The sequential attachment of nitrogen nucleophiles and subsequent ring closure gave the desired bicyclic NHC precursors in good yields. The structures of these new NHC precursors were determined on the basis of spectroscopic techniques, including NMR and MS. The experimental process involved the reaction of H-Idc-OH(cas: 79815-20-6).Safety of H-Idc-OH

The Article related to bicyclic pyrroloimidazole preparation, Heterocyclic Compounds (More Than One Hetero Atom): Imidazoles and other aspects.Safety of H-Idc-OH

Referemce:
Indole alkaloid derivatives as building blocks of natural products from Bacillus thuringiensis and Bacillus velezensis and their antibacterial and antifungal activity study,
Preparation of Indole Containing Building Blocks for the Regiospecific Construction of Indole Appended Pyrazoles and Pyrroles

On March 18, 2022, Tran, Duc N.; Zhdanko, Alexander; Barroso, Santiago; Nieste, Patrick; Rahmani, Ramdane; Holan, Jan; Hoefnagels, Roel; Reniers, Peter; Vermoortele, Frederik; Duguid, Stewart; Cazanave, Lionel; Figlus, Marek; Muir, Colin; Elliott, Alain; Zhao, Peichao; Paden, Warren; Diaz, Cristina Hernandez; Bell, Stephen J.; Hashimoto, Akihiro; Phadke, Avinash; Wiles, Jason A.; Vogels, Ilse; Farina, Vittorio published an article.Electric Literature of 79815-20-6 The title of the article was Development of a Commercial Process for Odalasvir. And the article contained the following:

Odalasvir is a selective inhibitor of hepatitis C virus NS5A protein, a key target for combination therapies. This paper described the chem. process development for the synthesis of this API and the improvements that were achieved over the medicinal chem. Optimization of all the reaction conditions and crystallizations resulted in higher throughput and a highly improved process mass intensity (PMI). The process was robust and it was scaled up to ∼100 kg batches without issues. The experimental process involved the reaction of H-Idc-OH(cas: 79815-20-6).Electric Literature of 79815-20-6

The Article related to odalasvir preparation, Heterocyclic Compounds (More Than One Hetero Atom): Imidazoles and other aspects.Electric Literature of 79815-20-6

Referemce:
Indole alkaloid derivatives as building blocks of natural products from Bacillus thuringiensis and Bacillus velezensis and their antibacterial and antifungal activity study,
Preparation of Indole Containing Building Blocks for the Regiospecific Construction of Indole Appended Pyrazoles and Pyrroles

Hsu, Shih-Fan; Ko, Chih-Wei; Wu, Yao-Ting published an article in 2011, the title of the article was Cobalt-Catalyzed Carbon-Carbon Bond Formation: Synthesis and Applications of Enantiopure Pyrrolidine Derivatives[1] [Erratum to document cited in CA155:241131].COA of Formula: C9H9NO2 And the article contains the following content:

On page 1762, stereochem. was omitted from Reference 27; the correction is given. The graphical abstracted contained a capitalization error; the corrected abstract is given. The experimental process involved the reaction of H-Idc-OH(cas: 79815-20-6).COA of Formula: C9H9NO2

The Article related to erratum pyrrolidine enantiopure preparation cross coupling cobalt catalyzed, tylophorine synthesis cross coupling cobalt catalyzed erratum, Alkaloids: Alkaloids Containing One Nitrogen Atom In A Ring and other aspects.COA of Formula: C9H9NO2

Referemce:
Indole alkaloid derivatives as building blocks of natural products from Bacillus thuringiensis and Bacillus velezensis and their antibacterial and antifungal activity study,
Preparation of Indole Containing Building Blocks for the Regiospecific Construction of Indole Appended Pyrazoles and Pyrroles

Zhang, Yinjun; Chen, Jialin; Chen, Changsheng; Wu, Shijin published an article in 2019, the title of the article was Isolation of a Bacillus Aryabhattai strain for the resolution of (R, S)-ethyl indoline-2-carboxylate to produce (S)-indoline-2-carboxylic acid.Reference of H-Idc-OH And the article contains the following content:

The strain screened from sludge can selectively hydrolyze (S)-Et indoline-2-carboxylate to produce (S)-indoline-2-carboxylic acid. It was identified as the Bacillus aryabhattai strain based on its morphol., metabolism, and 16S rDNA sequence anal. Glucose and yeast powder were used as the best carbon and nitrogen sources to cultured cells with an initial pH of seven. Subsequently, we optimized the key parameters for selective hydrolysis. Finally, when the substrate concentration had reached 3%, with a 35°C water bath, a pH of seven, and a speed of 600 rpm, the e.e.p value attained 96% with a 33% yield. Thus, we had developed a new method for producing (S)-indoline-2-carboxylic acid that used whole microbial cells as the biocatalyst. The experimental process involved the reaction of H-Idc-OH(cas: 79815-20-6).Reference of H-Idc-OH

The Article related to bacillus aryabhattai esterase perindopril, Fermentation and Bioindustrial Chemistry: Pharmaceuticals (Including Nutrients) and other aspects.Reference of H-Idc-OH

Referemce:
Indole alkaloid derivatives as building blocks of natural products from Bacillus thuringiensis and Bacillus velezensis and their antibacterial and antifungal activity study,
Preparation of Indole Containing Building Blocks for the Regiospecific Construction of Indole Appended Pyrazoles and Pyrroles

On August 15, 2019, De Vylder, Anton; Lauwaert, Jeroen; Sabbe, Maarten K.; Reyniers, Marie-Francoise; De Clercq, Jeriffa; Van Der Voort, Pascal; Thybaut, Joris W. published an article.Synthetic Route of 79815-20-6 The title of the article was Rational design of nucleophilic amine sites via computational probing of steric and electronic effects. And the article contained the following:

Accessibility of the nucleophilic site in organocatalysts is essential to ensure adequate catalytic activity. Gas-phase trimethylborane (TMB) Lewis basicity and Bronsted proton basicity of several amine based organocatalysts have been calculated using the CBS-QB3 model chem. This TMB basicity scale can, as opposed to the proton basicity scale, account for steric effects encountered in the initial nucleophilic attack of the nitrogen free electron pair on a substrate. Since such a step is the first one in several amine catalyzed reactions, severe steric hindrance of the nucleophilic center would render the catalyst ineffective. Comparing the TMB basicity and proton basicity with the exptl. observed catalytic activity of both homogeneous and heterogeneously supported amine sites found in literature for the aldol reaction of acetone with 4-nitrobenzaldehyde showed that, due to the inclusion of these steric effects, the TMB basicity scale is a much better predictor of catalytic activity than the proton basicity. According to this computational Lewis basicity scale, potential steric hindrance in alternative nitrogen containing active sites was probed. This resulted in 3-propylpyrrolidine being proposed among the most promising monofunctional amine groups and 1-(methylamino)propan-2-ol among the most promising bifunctional amine-hydroxyl groups for heterogeneous aldol reaction catalysts. The experimental process involved the reaction of H-Idc-OH(cas: 79815-20-6).Synthetic Route of 79815-20-6

The Article related to trimethylborane basicity amine organocatalyst bronsted proton basicity aldol condensation, Physical Organic Chemistry: Addition, Elimination, and Substitution Reactions and other aspects.Synthetic Route of 79815-20-6

Referemce:
Indole alkaloid derivatives as building blocks of natural products from Bacillus thuringiensis and Bacillus velezensis and their antibacterial and antifungal activity study,
Preparation of Indole Containing Building Blocks for the Regiospecific Construction of Indole Appended Pyrazoles and Pyrroles