Month: October 2022

Zhou, Wu-Xi; Chen, Chen; Liu, Xiao-Qin; Li, Ying; Kong, Ling-Yi; Luo, Jian-Guang published the artcile< Synthesis and biological evaluation of novel withangulatin A derivatives as potential anticancer agents>, Recommanded Product: 6-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole, the main research area is withangulatin A derivative preparation anticancer structure activity; Anticancer; Apoptosis; Cell cycle; Reactive oxygen species; Withangulatin A derivatives.

Novel withangulatin A (WA) derivatives were synthesized and evaluated for antiproliferative activity against four human cancer cell lines (U2OS, MDA-MB-231, HepG2, and A549). Among these derivatives, I exhibited the most potent antiproliferative activity, with an IC50 value of 74.0 nM against the human breast cancer cell line MDA-MB-231 and potency that was 70-fold that of WA (IC50 = 5.22μM). Moreover, I caused G2-phase cell cycle arrest in a concentration-dependent manner and induced the apoptosis of MDA-MB-231 cells by increasing intracellular reactive oxygen species (ROS). Compound I showed a high selectivity index (SI = 267.03) for breast cancer MDA-MB-231 cells. These results suggest that I is a promising anticancer agent.

Bioorganic Chemistry published new progress about Anti-apoptotic agents. 84163-77-9 belongs to class benzisoxazole, and the molecular formula is C12H13FN2O, Recommanded Product: 6-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole.

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

Ling, Fei; Liu, Tao; Xu, Chao; He, Jiaying; Zhang, Wangqin; Ling, Changwu; Liu, Lei; Zhong, Weihui published the artcile< Divergent electrolysis for the controllable coupling of thiols with 1,2-dichloroethane: a mild approach to sulfide and sulfoxide>, Related Products of 84163-77-9, the main research area is chloroethyl sulfide green preparation; thiol dichloroethane electrochem sulfidation; sulfoxide chloroethyl green preparation; dichloroethane thiol electrochem sulfoxidation.

A safe, practical and eco-friendly electrochem. methodol. was reported for the controllable dechloro-coupling of 1,2-dichloroethane (DCE) with thiols, providing value-added β-chloroethyl-sulfides ArSCH2CH2Cl [Ar = Ph, 4-MeC6H4, 2-naphthyl, etc.] and β-chloroethyl-sulfoxides Ar1S(O)CH2CH2Cl [Ar1 = Ph, 2-BrC6H4, 2,4-di-MeC6H3, etc.], which served as versatile building blocks in the efficient late-stage conversion to bioactive mols. The mildness and practicality of this protocol was further demonstrated by the total synthesis of anti-gout drug sulfinpyrazone in a 32% total yield over three steps.

Green Chemistry published new progress about Electrochemical reaction. 84163-77-9 belongs to class benzisoxazole, and the molecular formula is C12H13FN2O, Related Products of 84163-77-9.

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

Sivala, Munichandra Reddy; Chintha, Venkataramaiah; Potla, Krishna Murthy; Chinnam, Sampath; Chamarthi, Naga Raju published the artcile< In silico docking studies and synthesis of new phosphoramidate derivatives of 6-fluoro-3-(piperidin-4-yl)benzo[d]isoxazole as potential antimicrobial agents>, SDS of cas: 84163-77-9, the main research area is phosphoramidate docking studies antimicrobial agents; Phosphoramidates; anti-bacterial activity; anti-fungal activity; benzisoxazole; molecular docking.

A new class of phosphoramidate derivatives of 6-fluoro-3-(piperidin-4-yl)benzo[d]isoxazole were synthesized in good to excellent yields (78-96%) by an in situ, three-step process. All the synthesized mols. were evaluated for anti-bacterial and anti-fungal activities using in vitro and in silico methods. The results revealed that the compounds , , , , and exhibited the most promising anti-bacterial activity against S. aureus, B. subtilis, K. pneumoniae, S. typhi and P. mirabilis and anti-fungal activity against A. niger and A. flavus when compared with the standard drugs Norfloxacin and Nystatin at concentrations of 25, 50, 75 and 100μg/mL. The rest of the title compounds have shown moderate activity against all the bacterial and fungal strains. Mol. docking studies revealed that the synthesized compounds have exhibited significant binding modes with high dock scores ranging from -7.2 to -9.5 against 3V2B protein when compared with the standard drugs Norfloxacin (-5.8) and Nystatin (-6.6) resp. Hence, it is suggested that the synthesized phosphoramidate derivatives of 6-fluoro-3-(piperidin-4-yl)benzo[d]isoxazole will stand as the promising antimicrobial drug candidates in future.

Journal of Receptors and Signal Transduction published new progress about Antimicrobial agents. 84163-77-9 belongs to class benzisoxazole, and the molecular formula is C12H13FN2O, SDS of cas: 84163-77-9.

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

Zhang, Ze-Xin; Willis, Michael C. published the artcile< Sulfondiimidamides as new functional groups for synthetic and medicinal chemistry>, Category: benzisoxazole, the main research area is sulfondiimidamide preparation.

Due to their three-dimensional structure, chem. and metabolic stability, polarity, and hydrogen-bonding ability, sulfonamides RS(=NC(CH3)2CH2(CH3)3)(=NNs)R1 (R1 = Et, 4-fluorophenyl, cyclopropyl, pyridin-3-yl, etc. ;NH2, 2-methylpropan-2-aminyl, morpholin-4-yl) occupy a privileged position among the functional groups used to design bioactive mols. The mono aza variants, sulfonimidamides, a functional group known since the 1930s, possess an extra nitrogen atom, which delivers an addnl. point of diversity and introduces chirality at sulfur. The sulfondiimidamides are viable mols. and by using an unsym. sulfurdiimide as a linchpin, in combination with organometallic reagents RMgX (X = Br, Cl) and amines R1NH, their three-component assembly is showed. Variation of the substrates, and the controlled manipulation of nitrogen functionality, allows a broad range of substituents to be introduced at all three nitrogen atoms and at carbon.

Chem published new progress about Amines Role: RCT (Reactant), RACT (Reactant or Reagent). 84163-77-9 belongs to class benzisoxazole, and the molecular formula is C12H13FN2O, Category: benzisoxazole.

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

Li, Meng; Wang, Dong-Hui published the artcile< Copper-Catalyzed 3-Positional Amination of 2-Azulenols with O-Benzoylhydroxylamines>, Application of C12H13FN2O, the main research area is azulenol benzoylhydroxylamine copper catalyst regioselective amination; aminoazulenol preparation.

A copper-catalyzed ortho-selective amination of 2-azulenols with O-benzoylhydroxylamines (RR’N-OBz) to synthesize ortho-aminoazulenols was reported. A wide range of functional groups on amines were compatible, furnishing the corresponding amino-azulene derivatives in moderate to good yields. The further synthetic elaboration using 3-amino-2-azulenols as starting materials was demonstrated.

Organic Letters published new progress about Amination catalysts (regioselective). 84163-77-9 belongs to class benzisoxazole, and the molecular formula is C12H13FN2O, Application of C12H13FN2O.

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

Favalli, Nicholas; Bassi, Gabriele; Bianchi, Davide; Scheuermann, Jorg; Neri, Dario published the artcile< Large screening of DNA-compatible reaction conditions for Suzuki and Sonogashira cross-coupling reactions and for reverse amide bond formation>, Recommanded Product: 6-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole, the main research area is alkyne pinacol borane boronic acid DNA synthesis carboxylic acid; Suzuki Sonogashira cross coupling reverse amide formation DNA compatible; DNA-compatible reactions; DNA-encoded libraries; Reverse amide bond formation; Sonogashira cross-coupling; Suzuki cross-coupling.

Progress in DNA-encoded chem. library synthesis and screening crucially relies on the availability of DNA-compatible reactions, which proceed with high yields and excellent purity for a large number of possible building blocks. In the past, exptl. conditions have been presented for the execution of Suzuki and Sonogashira cross-coupling reactions on-DNA. In this article, our aim was to optimize Suzuki and Sonogashira reactions, comparing our results to previously published procedures. We have tested the performance of improved conditions using 606 building blocks (including boronic acids, pinacol boranes and terminal alkynes), achieving >70% conversion for 84% of the tested mols. Moreover, we describe efficient exptl. conditions for the on-DNA synthesis of amide bonds, starting from DNA derivatives carrying a carboxylic acid moiety and 300 primary, secondary and aromatic amines, as amide bonds are frequently found in DNA-encoded chem. libraries thanks to their excellent DNA compatibility.

Bioorganic & Medicinal Chemistrypublished new progress about Boronic acids Role: RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation). 84163-77-9 belongs to class benzisoxazole, and the molecular formula is C12H13FN2O, Recommanded Product: 6-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole.

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

Zhang, Ze-Xin; Willis, Michael C. published the artcile< Sulfondiimidamides as new functional groups for synthetic and medicinal chemistry>, Reference of 84163-77-9, the main research area is sulfondiimidamide preparation.

Due to their three-dimensional structure, chem. and metabolic stability, polarity, and hydrogen-bonding ability, sulfonamides RS(=NC(CH3)2CH2(CH3)3)(=NNs)R1 (R1 = Et, 4-fluorophenyl, cyclopropyl, pyridin-3-yl, etc. ;NH2, 2-methylpropan-2-aminyl, morpholin-4-yl) occupy a privileged position among the functional groups used to design bioactive mols. The mono aza variants, sulfonimidamides, a functional group known since the 1930s, possess an extra nitrogen atom, which delivers an addnl. point of diversity and introduces chirality at sulfur. The sulfondiimidamides are viable mols. and by using an unsym. sulfurdiimide as a linchpin, in combination with organometallic reagents RMgX (X = Br, Cl) and amines R1NH, their three-component assembly is showed. Variation of the substrates, and the controlled manipulation of nitrogen functionality, allows a broad range of substituents to be introduced at all three nitrogen atoms and at carbon.

Chempublished new progress about Amines Role: RCT (Reactant), RACT (Reactant or Reagent). 84163-77-9 belongs to class benzisoxazole, and the molecular formula is C12H13FN2O, Reference of 84163-77-9.

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

Wang, Jin-Lin; Liu, Mei-Ling; Zou, Jian-Yu; Sun, Wen-Hui; Liu, Xue-Yuan published the artcile< Copper-Catalyzed Aminoarylation of Alkenes via Aminyl Radical Addition and Aryl Migration>, Name: 6-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole, the main research area is amino amide preparation; alkene hydroxylamine copper catalyst aminoarylation.

A new strategy for aminoarylation of alkenes by copper-catalyzed Smiles rearrangement using O-benzoylhydroxylamines as the amine reagent was described.. This method affords various β-amino amide derivatives possessing a quaternary carbon center with wide functional group tolerance and high regioselectivity. The mechanistic studies indicate that the transformation can involve aminyl radical intermediates under acid-free condition.

Organic Letterspublished new progress about Amino amides Role: PRP (Properties), RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation). 84163-77-9 belongs to class benzisoxazole, and the molecular formula is C12H13FN2O, Name: 6-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole.

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

Paul, Anirudra; Seidel, Daniel published the artcile< α-Functionalization of Cyclic Secondary Amines: Lewis Acid Promoted Addition of Organometallics to Transient Imines>, Reference of 84163-77-9, the main research area is cyclic secondary amine alpha functionalization Lewis acid organometallic imine.

Cyclic imines, generated in situ from their corresponding N-lithiated amines and a ketone hydride acceptor, undergo reactions with a range of organometallic nucleophiles to generate α-functionalized amines in a single operation. Activation of the transient imines by Lewis acids that are compatible with the presence of lithium alkoxides is crucial to accommodate a broad range of nucleophiles including lithium acetylides, Grignard reagents, and aryllithiums with attenuated reactivities.

Journal of the American Chemical Societypublished new progress about Alkali metal alkoxides, lithium alkoxides Role: RGT (Reagent), RACT (Reactant or Reagent). 84163-77-9 belongs to class benzisoxazole, and the molecular formula is C12H13FN2O, Reference of 84163-77-9.

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

Gao, Lanchang; Yang, Zhengge; Xiong, Jiaying; Hao, Chao; Ma, Ru; Liu, Xin; Liu, Bi-Feng; Jin, Jian; Zhang, Guisen; Chen, Yin published the artcile< Design, synthesis and biological investigation of flavone derivatives as potential multi-receptor atypical antipsychotics>, HPLC of Formula: 84163-77-9, the main research area is flavone preparation antipsychotic dopamine serotonin receptor; atypical antipsychotics; dopamine; multi-target; serotonin.

The design of a series of novel flavone derivatives I (X = N, CH; Ar = 2-methoxyphenyl, 6-fluorobenzo[d]isoxazol-3-yl, pyrimidin-2-yl, etc.; n = 1, 2), II (m = 1, 2) and III (R1 = H, Cl; R2 = H, Me) was synthesized as potential broad-spectrum antipsychotics by using multi-receptor affinity strategy between dopamine receptors and serotonin receptors. Among them, I (X = CH, Ar = 6-fluorobenzo[d]isoxazol-3-yl, n = 2), (IV) exhibited a promising preclin. profile. Compound IV not only showed high affinity for dopamine D2, D3, and serotonin 5-HT1A, 5-HT2A receptors, but was also endowed with low to moderate activities on 5-HT2C, α1, and H1 receptors, indicating a low liability to induce side effects such as weight gain, orthostatic hypotension and QT prolongation. In vivo behavioral studies suggested that compound IV has favorable effects in alleviating the schizophrenia-like symptoms without causing catalepsy. Taken together, compound V has the potential to be further developed as a novel atypical antipsychotic.

Moleculespublished new progress about 5-HT1A receptors Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 84163-77-9 belongs to class benzisoxazole, and the molecular formula is C12H13FN2O, HPLC of Formula: 84163-77-9.

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