Category: 452-63-1

Zukerman-Schpector, Julio published the artcileCrystal structure of 1,2-bis(4-fluoro-2-methylphenyl)ditelluride, [Te(C7H6F)]2, COA of Formula: C7H6BrF, the main research area is crystal structure fluoromethylphenyl telluride; mol structure fluoromethylphenyl telluride; pi interaction fluoromethylphenylditelluride.

Crystallog. data and at. coordinates are given. The title mol. has twofold symmetry and d(Te-Tei) = 2.691(1) Å (symmetry code i: 2-x,y,1/2-z). The angle subtended at the Te(II) center is 99.2(2)° and indicates a bent geometry consistent with two stereochem. active lone pairs. The crystal packing is dominated by: (a) C-H…F bonds along [100], the shortest contact being 2.68 Å which occurs between C5-H and Fii (symmetry code ii: 3/2-x, 1/2+y, 1/2-z); (b) Te…Teii interactions along [010] (d(Te…Teiii) = 3.73 Å; symmetry code iii: 2-x,-1-y,-z); and (c) π-π interactions between successive C1-C6 rings that form columns along [001] (d(Cg… Cgiv) = 3.780(4) Å, g = 1-6; symmetry code iv: x, -y, -1/2+z).

Zeitschrift fuer Kristallographie – New Crystal Structures published new progress about Crystal structure. 452-63-1 belongs to class bromides-buliding-blocks, name is 1-Bromo-4-fluoro-2-methylbenzene, and the molecular formula is C7H6BrF, COA of Formula: C7H6BrF.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Di Fabio, Romano published the artcileDiscovery Process and Pharmacological Characterization of 2-(S)-(4-Fluoro-2-methylphenyl)piperazine-1-carboxylic Acid [1-(R)-(3,5-Bis-trifluoromethylphenyl)ethyl]methylamide (Vestipitant) as a Potent, Selective, and Orally Active NK1 Receptor Antagonist, Application of 1-Bromo-4-fluoro-2-methylbenzene, the main research area is piperazine urea aryl asym preparation neurokinin receptor antagonist activity; Vestipitant piperazine NK receptor antagonist pharmacokinetic structure activity relationship.

In an effort to discover novel drug-like NK1 receptor antagonists a new series of suitably substituted C-phenylpiperazine derivatives was identified by an appropriate chem. exploration of related N-phenylpiperazine analogs, with the specific aim to maximize their in vitro affinity and optimize in parallel their pharmacokinetic profile. Among the compounds synthesized, I (Vestipitant) was identified as one of the most in vitro potent and selective NK1 receptor antagonists ever discovered, showing appropriate pharmacokinetic properties and in vivo activity. On the basis of its preclin. profile, I was selected as a drug candidate.

Journal of Medicinal Chemistry published new progress about Anxiety disorders. 452-63-1 belongs to class bromides-buliding-blocks, name is 1-Bromo-4-fluoro-2-methylbenzene, and the molecular formula is C7H6BrF, Application of 1-Bromo-4-fluoro-2-methylbenzene.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Cacheux, Fanny published the artcileThe Piancatelli rearrangement of non-symmetrical furan-2,5-dicarbinols for the synthesis of highly functionalized cyclopentenones, Computed Properties of 452-63-1, the main research area is hydroxymethyl hydroxycyclopentenone preparation regioselective diastereoselective antitumor activity microwave irradiation; furan dicarbinol preparation Piancatelli rearrangement dysprosium chloride catalyst; aminocyclopentenone preparation regioselective diastereoselective microwave irradiation; aniline furan dicarbinol Aza Piancatelli rearrangement.

Substituted and non-sym. furan-2,5-dicarbinols I (R = Ph, 4-fluoro-2-methylphenyl, phenanthren-9-yl, 1,3-benzodioxol-5-yl, etc.) were readily prepared from 5-(hydroxymethyl)furfural (HMF), a renewable raw material from biomass. The Piancatelli rearrangement of these furan-2,5-dicarbinols I, catalyzed by DyCl3and under microwave activation, affords 5-substituted-4-hydroxymethyl-4-hydroxycyclopentenones (4S,5R)/(4S,5S)-II in a regio- and diastereoselective manner. This methodol. can be extended to aza-Piancatelli type reactions by using nitrogen nucleophiles, to furnish the corresponding aminocyclopentenone derivatives III (R1 = I, Br). Some of these synthesized bis-hydroxylated cyclopentenone derivatives exhibited significant cytotoxicity against eight human tumor cell lines.

Organic Chemistry Frontiers published new progress about Antitumor agents. 452-63-1 belongs to class bromides-buliding-blocks, name is 1-Bromo-4-fluoro-2-methylbenzene, and the molecular formula is C7H6BrF, Computed Properties of 452-63-1.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Tria, George S. published the artcileDiscovery of LSZ102, a Potent, Orally Bioavailable Selective Estrogen Receptor Degrader (SERD) for the Treatment of Estrogen Receptor Positive Breast Cancer, Synthetic Route of 452-63-1, the main research area is benzothiophene preparation selective estrogen receptor degrader breast cancer treatment.

In breast cancer, estrogen receptor alpha (ERα) pos. cancer accounts for approx. 74% of all diagnoses, and in these settings, it is a primary driver of cell proliferation. Treatment of ERα pos. breast cancer has long relied on endocrine therapies such as selective estrogen receptor modulators, aromatase inhibitors, and selective estrogen receptor degraders (SERDs). The steroid-based anti-estrogen fulvestrant, the only approved SERD, is effective in patients who have not previously been treated with endocrine therapy as well as in patients who have progressed after receiving other endocrine therapies. Its efficacy, however, may be limited due to its poor physicochem. properties. THe authors describe the design and synthesis of a series of potent benzothiophene-containing compounds that exhibit oral bioavailability and preclin. activity as SERDs. This article culminates in the identification of LSZ102 (I), a compound in clin. development for the treatment of ERα pos. breast cancer.

Journal of Medicinal Chemistry published new progress about Antitumor agents. 452-63-1 belongs to class bromides-buliding-blocks, name is 1-Bromo-4-fluoro-2-methylbenzene, and the molecular formula is C7H6BrF, Synthetic Route of 452-63-1.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Henry, James R. published the artcileDiscovery of 1-(3,3-Dimethylbutyl)-3-(2-fluoro-4-methyl-5-(7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl)phenyl)urea (LY3009120) as a Pan-RAF Inhibitor with Minimal Paradoxical Activation and Activity against BRAF or RAS Mutant Tumor Cells, Name: 1-Bromo-4-fluoro-2-methylbenzene, the main research area is antitumor RAF inhibitor LY3009120 preparation structure activity cancer.

The RAS-RAF-MEK-MAPK cascade is an essential signaling pathway, with activation typically mediated through cell surface receptors. The kinase inhibitors vemurafenib and dabrafenib, which target oncogenic BRAF V600E, have shown significant clin. efficacy in melanoma patients harboring this mutation. Because of paradoxical pathway activation, both agents were demonstrated to promote growth and metastasis of tumor cells with RAS mutations in preclin. models and are contraindicated for treatment of cancer patients with BRAF WT background, including patients with KRAS or NRAS mutations. To eliminate the issues associated with paradoxical MAPK pathway activation and to provide therapeutic benefit to patients with RAS mutant cancers, we sought to identify a compound not only active against BRAF V600E but also wild type BRAF and CRAF. On the basis of its superior in vitro and in vivo profile, compound 13 was selected for further development and is currently being evaluated in phase I clin. studies.

Journal of Medicinal Chemistry published new progress about Antitumor agents. 452-63-1 belongs to class bromides-buliding-blocks, name is 1-Bromo-4-fluoro-2-methylbenzene, and the molecular formula is C7H6BrF, Name: 1-Bromo-4-fluoro-2-methylbenzene.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Payard, Pierre-Adrien published the artcileTaming Nickel-Catalyzed Suzuki-Miyaura Coupling: A Mechanistic Focus on Boron-to-Nickel Transmetalation, Application In Synthesis of 452-63-1, the main research area is transmetalation mechanism nickel catalyzed Suzuki Miyaura coupling.

The mechanism of boron-to-nickel transmetalation, the key step of the nickel-catalyzed Suzuki-Miyaura (S-M) coupling, was examined both exptl. and theor. Dinuclear μ-hydroxo-bridged complexes formed by reaction of trans-[ArNi(PR3)2X] with hydroxide are not directly involved in transmetalation, but they rather act as a resting state for the catalyst. The base/boronic acid ratio is the crucial parameter, as it modulates the extent of formation of these dinuclear species and thus tunes the catalytic activity. These findings explain some limitations encountered in practical applications of nickel-catalyzed S-M couplings and suggest how to tailor the exptl. conditions in order to overcome these difficulties.

ACS Catalysis published new progress about Activation enthalpy. 452-63-1 belongs to class bromides-buliding-blocks, name is 1-Bromo-4-fluoro-2-methylbenzene, and the molecular formula is C7H6BrF, Application In Synthesis of 452-63-1.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Ball, Liam T. published the artcileGold-Catalyzed Oxidative Coupling of Arylsilanes and Arenes: Origin of Selectivity and Improved Precatalyst, Recommanded Product: 1-Bromo-4-fluoro-2-methylbenzene, the main research area is gold catalyzed oxidative coupling arylsilane arene.

The mechanism of gold-catalyzed coupling of arenes with aryltrimethylsilanes has been investigated, employing an improved precatalyst (thtAuBr3) to facilitate kinetic anal. In combination with linear free-energy relationships, kinetic isotope effects, and stoichiometric experiments, the data support a mechanism involving an Au(I)/Au(III) redox cycle in which sequential electrophilic aromatic substitution of the arylsilane and the arene by Au(III) precedes product-forming reductive elimination and subsequent cycle-closing reoxidation of the metal. Despite the fundamental mechanistic similarities between the two auration events, high selectivity is observed for heterocoupling (C-Si then C-H auration) over homocoupling of either the arylsilane or the arene (C-Si then C-Si, or C-H then C-H auration); this chemoselectivity originates from differences in the product-determining elementary steps of each electrophilic substitution. The turnover-limiting step of the reaction involves associative substitution en route to an arene π-complex. The ramifications of this insight for implementation of the methodol. are discussed.

Journal of the American Chemical Society published new progress about Activation enthalpy. 452-63-1 belongs to class bromides-buliding-blocks, name is 1-Bromo-4-fluoro-2-methylbenzene, and the molecular formula is C7H6BrF, Recommanded Product: 1-Bromo-4-fluoro-2-methylbenzene.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Singh, I. D. published the artcileElectronic absorption spectra of 3-fluoro-6-bromotoluene and 4-fluoro-3-bromotoluene vapors, Recommanded Product: 1-Bromo-4-fluoro-2-methylbenzene, the main research area is electronic spectra fluorobromotoluene; toluene fluoro bromo electronic spectra.

The vapor absorption bands of 3-fluoro-6-bromotoluene (I) and 4-fluoro-3-bromotoluene (II), belonging to an allowed electronic transition, were photographed for the 1st time. I yields ∼70 sharp red-degraded bands in the 2560-2830-Å region with the (0,0) band at 2752.8 Å. The observed frequencies were 767 and 1008 cm-1 of the ground state and 256, 491, 688, and 1011 cm-1 of the excited state. In II, ∼55 red-degraded bands lying in the 2515-2835-Å region were obtained with the (0,0) band at 2745.5 A. These bands were explained in terms of 741- and 1004- cm-1 ground state and 238-, 448-, 607-, 860-, 1212-, and 1246- cm-1 excited-state fundamentals. These frequencies were assigned to definite modes of vibration and correlated with ir frequencies.

Indian Journal of Pure and Applied Physics published new progress about UV and visible spectra. 452-63-1 belongs to class bromides-buliding-blocks, name is 1-Bromo-4-fluoro-2-methylbenzene, and the molecular formula is C7H6BrF, Recommanded Product: 1-Bromo-4-fluoro-2-methylbenzene.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Lortscher, Emanuel published the artcileCharge transport through molecular rods with reduced π-conjugation, Application In Synthesis of 452-63-1, the main research area is reduced pi conjugation oligophenylene mol rod charge transport.

A series of oligophenylene rods of increasing lengths is synthesized to investigate the charge-transport mechanisms. Me groups are attached to the Ph rings to weaken the electronic overlap of the π-subsystems along the mol. backbones. Out-of-plane rotation of the Ph rings is confirmed in the solid state by means of X-ray anal. and in solution by using UV/Vis spectroscopy. The influence of the reduced π-conjugation on the resonant charge transport is studied at the single-mol. level by using the mech. controllable break-junction technique. Experiments are performed under ultra-high-vacuum conditions at low temperature (50 K). A linear increase of the conductance gap with increasing number of Ph rings (from 260 meV for one ring to 580 meV for four rings) is revealed. In addition, the absolute conductance of the first resonant peaks does not depend on the length of the mol. wire. Resonant transport through the first MO is found to be dominated by charge-carrier injection into the mol., rather than by the intrinsic resistance of the mol. wire length.

ChemPhysChem published new progress about Conjugation (bond), π-. 452-63-1 belongs to class bromides-buliding-blocks, name is 1-Bromo-4-fluoro-2-methylbenzene, and the molecular formula is C7H6BrF, Application In Synthesis of 452-63-1.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Ottosen, Erik Rytter published the artcileSynthesis and structure-activity relationship of aminobenzophenones. A novel class of p38 MAP kinase inhibitors with high antiinflammatory activity, HPLC of Formula: 452-63-1, the main research area is aminobenzophenone preparation structure activity MAP kinase inhibitor antiinflammatory; skin inflammation aminobenzophenone preparation structure activity MAP kinase inhibitor; dermatitis aminobenzophenone preparation structure activity MAP kinase inhibitor antiinflammatory; human aminobenzophenone preparation structure activity MAP kinase inhibitor antiinflammatory; kinase phosphorylating MAP inhibitor aminobenzophenone preparation structure activity; tumor necrosis factor kinase MAP inhibitor aminobenzophenone preparation; interleukin tumor necrosis factor kinase MAP inhibitor aminobenzophenone preparation; inflammation inhibitor aminobenzophenone preparation structure activity p38 MAP kinase.

The synthesis and structure-activity relationship (SAR) of a series of 4-aminobenzophenones, as a novel compound class with high antiinflammatory activity, was reported. The initial lead, [4-[(2-aminophenyl)amino]phenyl](phenyl)methanone, was systematically optimized and resulted in compounds that potently inhibited the release of the proinflammatory cytokines IL-1β and TNF-α in human peripheral blood mononuclear cells stimulated by LPS. One of the most potent compounds, among others, was [4-[(2-aminophenyl)amino]-2-chlorophenyl](2-methylphenyl)methanone (I) with IC50 values of 14 and 6 nM for the inhibition of IL-1β and TNF-α, resp. Furthermore, these types of compounds were found to be potent and selective p38 MAP kinase inhibitors, e.g. I had an IC50 value of 10 nM. Mol. modeling was used to rationalize our SAR data and to propose a model for the interaction of I with the p38 MAP kinase. The model involved a favorable hydrogen bond between the carbonyl group of the benzophenone and the NH of Met-109, positioning ring A in the hydrophobic pocket I of the enzyme. Good antiinflammatory effects were demonstrated in two murine models of dermatitis after topical application (oxazolone and TPA model).

Journal of Medicinal Chemistry published new progress about Anti-inflammatory agents. 452-63-1 belongs to class bromides-buliding-blocks, name is 1-Bromo-4-fluoro-2-methylbenzene, and the molecular formula is C7H6BrF, HPLC of Formula: 452-63-1.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary