Month: November 2022

Devanathan, V. C.; Bhagan, V. Umayoru; Arumugam, N. published the artcile< Bromination of trans-2e,3e-diarylcyclohexanones with bromine in carbon tetrachloride and with pyridinium hydrobromide perbromide>, Quality Control of 112-63-0, the main research area is bromination diarylcyclohexanone stereoselective; arylcyclohexanone bromination; cyclohexanone diaryl bromination.

Bromination of trans-2e,3e-diarylcyclohexanones I (R = Ph, 4-MeC6H4, 4-MeOC6H4, 3,4-Me2C6H3, 4-Me3CC6H4, CH2Ph; R1 = Ph, 4-MeC6H4; R2 = R3 = H) (II) with Br2 in CCl4 gave 41-52% 6a-bromo-2e,3e-diarylcyclohexanones I (R2 = H, R3 = Br) and up to 16% I (R2 = Br, R3 = H). However, bromination of II with pyridinium hydrobromide perbromide gave exclusively 40-50% 6e-bromo-2e,3e-diarylcyclohexanones I (R2 = Br, R3 = H).

Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry published new progress about Bromination. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Quality Control of 112-63-0.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Mdanda, Sipho; Ntshangase, Sphamandla; Singh, Sanil D.; Naicker, Tricia; Kruger, Hendrik G.; Baijnath, Sooraj; Govender, Thavendran published the artcile< Mass spectrometric investigations into the brain delivery of abacavir, stavudine and didanosine in a rodent model>, Formula: C19H34O2, the main research area is brain abacavir stavudine didanosine drug delivery pharmacokinetics mass spectrometry; HIV neurocognitive disorder; mass spectrometric techniques and central nervous system; nucleoside reverse transcriptase inhibitors.

HIV replication in the brain is unopposed due to reduced antiretroviral drug penetration into the central nervous system (CNS). Prevalence of HIV-associated neurocognitive disorder (HAND) has increased severely in patients living with HIV despite current treatments. The aims of this study were to evaluate the brain bio-distribution of alternative nucleoside reverse transcriptase inhibitors, abacavir, stavudine and didanosine in the CNS and to determine their localization patterns in the brain. Sprague-Dawley rats received 50 mg kg-1 single i.p dose of each drug. Mass spectrometric techniques were then used to investigate the pharmacokinetics and localization patterns of these drugs in the brain using LC-MS/MS and mass spectrometric imaging (MSI), resp. Abacavir, stavudine and didanosine reached the Brain Cmax with concentration of 831.2, 1300 and 43.37 ngmL-1, resp. Based on MSI anal. Abacavir and Stavudine were located in brain regions that are strongly implicated in the progression of HAND. Abacavir and Stavudine penetrated into CNS, reaching a Cmax that was above the IC50 for HIV (457.6 and 112.0 ngmL-1, resp.), however, it was noted ddI showed poor entry within the brain, therefore, it is recommended that this drug cannot be considered for treating CNS-HIV.

Xenobiotica published new progress about Blood plasma. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Formula: C19H34O2.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Gaunt, Matthew J.; Jessiman, Alan S.; Orsini, Paolo; Tanner, Huw R.; Hook, David F.; Ley, Steven V. published the artcile< Synthesis of the C-1-C-28 ABCD Unit of Spongistatin 1>, Reference of 617-55-0, the main research area is asym synthesis spongistatin ABCD fragment anti aldol condensation borinate; beta keto dithiane preparation conjugate addition dithiol ynone.

The synthesis of the C-1-C-28 ABCD fragment I of spongistatin 1 is described. Anti-selective boron-mediated aldol coupling of a CD spiroketal ketone fragment II to an AB spiroketal aldehyde unit III forms the desired C1-C28 advanced intermediate I. Other features include the double conjugate addition of a dithiol to an ynone to generate the key β-keto-dithiane unit required for the synthesis of the AB spiroketal fragment.

Organic Letters published new progress about Aldol condensation (anti-selective boron-mediated aldol coupling). 617-55-0 belongs to class esters-buliding-blocks, and the molecular formula is C6H10O5, Reference of 617-55-0.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Precilla, Daisy S; Kuduvalli, Shreyas S; Purushothaman, Mugilarasi; Marimuthu, Parthiban; Muralidharan, Arumugam Ramachandran; Anitha, Thirugnanasambandham Sivasubramanian published the artcile< Wnt/β-catenin Antagonists: Exploring New Avenues to Trigger Old Drugs in Alleviating Glioblastoma Multiforme.>, Electric Literature of 112-63-0, the main research area is Computational analysis; Wnt signalling; drug repurposing; glioblastoma multiforme; natural compounds; temozolomide.

BACKGROUND: Glioblastoma Multiforme (GBM) is one of the most heterogeneous primary brain tumors with high mortality. In spite of the current therapeutic approaches, the survival rate remains poor, with death occurring within 12 to 15 months after the preliminary diagnosis. This warrants the need for an effective treatment modality. The Wnt/β-catenin pathway is presumably the most noteworthy pathway upregulated in almost 80% of GBM cases, contributing to tumor initiation, progression, and survival. Therefore, therapeutic strategies targeting key components of the Wnt/β-catenin cascade using established genotoxic agents like temozolomide and pharmacological inhibitors would be an effective approach to modulate the Wnt/β-catenin pathway. Recently, drug repurposing by means of effective combination therapy has gained importance in various solid tumors, including GBM, by targeting two or more proteins in a single pathway, thereby possessing the ability to overcome the hurdle implicated by chemoresistance in GBM. OBJECTIVE: In this context, by employing computational tools, an attempt has been made to find out the novel combinations against the Wnt/β-catenin signalling pathway. METHODS: We have explored the binding interactions of three conventional drugs – namely temozolomide, metformin and chloroquine – along with three natural compounds, viz. epigallocatechin gallate, naringenin and phloroglucinol, on the major receptors of Wnt/β-catenin signalling. RESULTS: It was noted that all the experimental compounds showed profound interaction with two major receptors of the Wnt/β-catenin pathway. CONCLUSION: To the best of our knowledge, this study is the first of its kind to characterize the combined interactions of the aforementioned drugs with the Wnt/β-catenin signalling in silico, and this will putatively open up new avenues for combination therapies in GBM treatment.

Current molecular pharmacology published new progress about 112-63-0. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Electric Literature of 112-63-0.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Kamal, Ahmed; Balakrishna, Moku; Reddy, Papagari Venkat; Rahim, Abdul published the artcile< First total synthesis of the E- and Z-isomers of cytospolide-D>, Quality Control of 617-55-0, the main research area is cytospolide D synthesis.

A simple, convergent, and efficient approach for the total synthesis of the bioactive E- and Z-isomers of cytospolide-D is described. The key features of the synthetic strategy include stereoselective methylation, regioselective epoxide opening, olefin cross-metathesis, and a Yamaguchi protocol reaction for the formation of the E-olefinic geometry of the 10 membered ring; Steglich esterification and ring-closing metathesis reaction for the formation of the 10 membered ring with a Z-olefinic geometry in the skeleton. L-Malic acid was used as a chiral pool starting material for the construction of the olefinic acid fragment while D-mannitol was used as a chiral pool starting material for the building of the olefinic alc. fragment.

Tetrahedron: Asymmetry published new progress about Cross-metathesis. 617-55-0 belongs to class esters-buliding-blocks, and the molecular formula is C6H10O5, Quality Control of 617-55-0.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Sadeghpour, H.; Jalilian, A. R.; Shafiee, A.; Akhlaghi, M.; Miri, R.; Mirzaei, M. published the artcile< Radiosynthesis of dimethyl-2-[18F]-(fluoromethyl)-6-methyl-4-(2-nitrophenyl)-1,4- dihydropyridine-3,5-dicarboxylate for L-type calcium channel imaging>, Computed Properties of 112-63-0, the main research area is fluorine 19 dimethylfluoromethylmethylnitrophenyl dihydropyridine dicarboxylate radiosynthesis calcium channel imaging.

Di-Me 2-(fluoromethyl)-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridine- 3,5-dicarboxylate 4a, a fluorinated nifedipine analog, has been shown to elicit significant calcium channel blocker activity using a guinea pig ileal longitudinal smooth muscle model. In order to perform biol. studies for detection of L-type calcium channel distribution, we decided to prepare the [18F]-labeled compound The latter compound was prepared in no-carrier-added (n.c.a.) form from di-Me 2-(bromomethyl)-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridine- 3,5-dicarboxylate 2 in one step at 80°C in Kryptofix[222]/K[18F]F and acetonitrile as a solvent in 15 min. Column chromatog. afforded the radiochem. pure compound in 20 min. Radiochem. purity of the 18F-nifedipine was determined by RTLC and HPLC (> 98%) and specific activity of 21-48 GBq/μmol (EOB).

Radiochimica Acta published new progress about Calcium channel blockers. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Computed Properties of 112-63-0.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Vedachalam, Seenuvasan; Zeng, Jing; Gorityala, Bala Kishan; Antonio, Meraldo; Liu, Xue-Wei published the artcile< N-Heterocyclic Carbene-Catalyzed Intramolecular Aldehyde-Nitrile Cross Coupling: An Easy Access to 3-Aminochromones>, Computed Properties of 112-63-0, the main research area is crystal mol structure amino methoxy chromenone; amino chromone preparation; heterocyclic carbene catalyzed intramol aldehyde nitrile cross coupling.

An immense effort has been made to develop an efficient strategy for the carbon-carbon bond formation between aldehyde and nitrile intramolecularly using an N-heterocyclic carbene catalyst to derive 3-aminochromone derivatives in good to excellent yields (80-95%).

Organic Letters published new progress about C-C bond formation. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Computed Properties of 112-63-0.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Lee, Dong Ung; Mayer, Klaus K.; Wiegrebe, Wolfgang; Lauber, Rolf; Schlunegger, Urs P. published the artcile< Mass-spectrometric investigations on derivatives of phenylacetic acid. II. Ortho effects of ionized phenylacetates>, Safety of Methyl 2-(2-nitrophenyl)acetate, the main research area is mass spectra benzeneacetate substituent effect; metastable ion mass spectra phenylacetate; collisional activation mass spectra benzeneacetate.

The mol. ions of 2-RC6H4CH2CO2R1 (I; R = Cl, R1 = Me, Et; R = Br, NO2, R1 = Me) lost R to give strong [M-R]+ signals. I (R = Me2N, R1 = Me; R = MeO, R1 = Et) did not lose R, and 3-ClC6H4CH2CO2Me did not lose Cl. The metastable-ion and collisional-activation spectra were discussed.

Archiv der Pharmazie (Weinheim, Germany) published new progress about Mass spectra. 30095-98-8 belongs to class esters-buliding-blocks, and the molecular formula is C9H9NO4, Safety of Methyl 2-(2-nitrophenyl)acetate.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Goudela, Sophia; Karatza, Panayiota; Koukaki, Marina; Frillingos, Stathis; Diallinas, George published the artcile< Comparative substrate recognition by bacterial and fungal purine transporters of the NAT/NCS2 family>, Category: esters-buliding-blocks, the main research area is substrate recognition bacteria fungus purine transporter protein; nucleobase ascorbate transporter protein substrate.

We compared the interactions of purines and purine analogs with representative fungal and bacterial members of the widespread Nucleobase-Ascorbate Transporter (NAT) family. These are: UapA, a well-studied xanthine-uric acid transporter of A. nidulans, Xut1, a novel transporter from C. albicans, described for the first time in this work, and YgfO, a recently characterized xanthine transporter from E. coli. Using transport inhibition experiments with 64 different purines and purine-related analogs, we describe a kinetic approach to build models on how NAT proteins interact with their substrates. UapA, Xut1 and YgfO appear to bind several substrates via interactions with both the pyrimidine and imidazol rings. Fungal homologues interact with the pyrimidine ring of xanthine and xanthine analogs via H-bonds, principally with N1-H and =O6, and to a lower extent with =O2. The E. coli homolog interacts principally with N3-H and =O2, and less strongly with N1-H and =O6. The basic interaction with the imidazol ring appears to be via a H-bond with N9. Interestingly, while all three homologues recognize xanthines with similar high affinities, interaction with uric acid or/and oxypurinol is transporter-specific. UapA recognizes uric acid with high affinity, principally via three H-bonds with =O2, =O6 and =O8. Xut1 has a 13-fold reduced affinity for uric acid, based on a different set of interactions involving =O8, and probably H atoms from positions N1, N3, N7 or N9. YgfO does not recognize uric acid at all. Both Xut1 and UapA recognize oxypurinol, but use different interactions reflected in a nearly 26-fold difference in their affinities for this drug, while YgfO interacts with this analog very inefficiently.

Molecular Membrane Biology published new progress about Bacteria. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Category: esters-buliding-blocks.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Persano, Francesca; Gigli, Giuseppe; Leporatti, Stefano published the artcile< Natural Compounds as Promising Adjuvant Agents in The Treatment of Gliomas>, Electric Literature of 112-63-0, the main research area is review natural compound temozolomide anticancer agent prognosis glioma; brain tumors; curcumin; epigallocatechin gallate; glioblastoma; glioma tumors; natural compounds; resveratrol.

A review. In humans, glioblastoma is the most prevalent primary malignant brain tumor. Usually, glioblastoma has specific characteristics, such as aggressive cell proliferation and rapid invasion of surrounding brain tissue, leading to a poor patient prognosis. The current therapy-which provides a multidisciplinary approach with surgery followed by radiotherapy and chemotherapy with temozolomide-is not very efficient since it faces clin. challenges such as tumor heterogeneity, invasiveness, and chemoresistance. In this respect, natural substances in the diet, integral components in the lifestyle medicine approach, can be seen as potential chemotherapeutics. There are several epidemiol. studies that have shown the chemopreventive role of natural dietary compounds in cancer progression and development. These heterogeneous compounds can produce anti-glioblastoma effects through upregulation of apoptosis and autophagy; allowing the promotion of cell cycle arrest; interfering with tumor metabolism; and permitting proliferation, neuroinflammation, chemoresistance, angiogenesis, and metastasis inhibition. Although these beneficial effects are promising, the efficacy of natural compounds in glioblastoma is limited due to their bioavailability and blood-brain barrier permeability. Thereby, further clin. trials are necessary to confirm the in vitro and in vivo anticancer properties of natural compounds In this article, we overview the role of several natural substances in the treatment of glioblastoma by considering the challenges to be overcome and future prospects.

International Journal of Molecular Sciences published new progress about Angiogenesis. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Electric Literature of 112-63-0.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics