Month: October 2022

Grella, Melissa Phelps; Danso-Danquah, Richmond; Safo, Martin K.; Joshi, Gajanan S.; Kister, Jean; Marden, Michael; Hoffman, Stephen J.; Abraham, Donald J. published the artcile< Synthesis and Structure-Activity Relationships of Chiral Allosteric Modifiers of Hemoglobin>, Electric Literature of 29027-20-1, the main research area is chiral allosteric modifier Hb preparation; structure activity aryloxyalkanoicacid preparation Hb.

A series of allosteric effectors of Hb, 2-(aryloxy)-2-alkanoicacids, was prepared to investigate the effect of the stereocenter on allosteric activity. The chiral analogs were based on the lead compound, RSR13, with different alkyl/alkanoic and cycloalkyl/cycloalkanoic groups positioned at the acidic chiral center. Of the 23 racemic mols. synthesized, 5 were selected for resolution based on structure-activity relationships. One chiral analog, (-)-(1R,2R)-1-[4-[[(3,5-dimethylanilino)carbonyl]methyl]phenoxy]-2-methylcyclopentanecarboxylic acid (I), exhibited greater in vitro activity in Hb solutions than its antipode, racemate, and RSR13. Compound I was equipotent with RSR13 in whole blood, is a candidate for in vivo animal studies, and if efficacious and safe has a potential for use in humans. In general, it was found that chirality affects allosteric effector activity with measurable differences observed between enantiomers and the racemates.

Journal of Medicinal Chemistry published new progress about Chirality. 29027-20-1 belongs to class chlorides-buliding-blocks, and the molecular formula is C7H8ClN, Electric Literature of 29027-20-1.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Kong, Xianqiang; Zhang, Huizi; Xiao, Yunqing; Cao, Changsheng; Shi, Yanhui; Pang, Guangsheng published the artcile< Effective, transition metal free and selective C-F activation under mild conditions>, HPLC of Formula: 1435-43-4, the main research area is aryl fluoride aniline amination; fluorophenylaniline preparation regioselective.

A simple and effective aromatic nucleophilic monosubstitution reaction for the synthesis of aromatic amines via selective C-F bond cleavage of various fluoroarenes (mono-, di-, tri-, tetra-, penta- and perfluorobenzene) with primary and secondary aromatic amines under transition metal free conditions was demonstrated. The reaction conditions were investigated thoroughly for a wide range of fluoroarene substrates bearing different numbers of fluorine atoms, and the results showed that the solvent and reaction temperature were very crucial for the successful substitution reactions. The established methods enabled the formation of nonfluorinated and partially fluorinated aromatic amines in good to excellent yields. Several functional groups were tolerated under the optimized conditions.

RSC Advances published new progress about Amination, regioselective. 1435-43-4 belongs to class chlorides-buliding-blocks, and the molecular formula is C6H3ClF2, HPLC of Formula: 1435-43-4.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Keivanloo, Ali; Lashkari, Saeed; Sepehri, Saghi; Bakherad, Mohammad; Abbaspour, Sima published the artcile< Ligand-assisted click reaction for the synthesis of new hybrid compounds based on 1,2,3-triazoles and 5,5-diphenylimidazolidine-2,4-dione and evaluation of their antibacterial activities>, Formula: C7H6Cl2, the main research area is triazole diphenylimidazolidinedione preparation regioselective click reaction antibacterial activity.

The new hybrid compounds based on 1,2,3-triazoles and 5,5-diphenylimidazolidine-2,4-dione I (R = 3-nitrophenyl, 2-chloro-4-nitrophenyl, 4-chloro-2-nitrophenyl, 4-chloro-3-nitrophenyl), II (R1 = 4-nitrophenyl, 4-chloro-3-nitrophenyl, 2-chloro-4-nitrophenyl) and III (X = H, 2-Cl, 4-Me) were successfully synthesized by copper-catalyzed click reaction in the presence of water-soluble ligand, sodium 4-amino-5-hydroxy-7-sulfonaphthalene-2-sulfonate and copper salt. The click reaction of 5,5-diphenyl-3-(prop-2-yn-1-yl)imidazolidine-2,4-dione and 5,5-diphenyl-1,3-di(prop-2-yn-1-yl)imidazolidine-2,4-dione with aryl azides RN3 or sodium azide and benzyl chloride XC6H4CH2Cl in water produced new 1,2,3-triazoles linked-5,5-diphenylimidazolidine-2,4-dione. The 4-amino-5-hydroxy-7-sulfonaphthalene-2-sulfonate was used as ligand, which enhanced the reactions and reduced the quantity of the toxic copper salt. The in vitro antibacterial activities of the all synthesized compounds I, II and III were screened against the Gram-pos. and Gram-neg. bacteria, by the use of well diffusion method. The results showed that all compounds I, II and III were active against both M. luteus and P. aeruginosa bacteria.

Monatshefte fuer Chemie published new progress about Antibacterial agents. 611-19-8 belongs to class chlorides-buliding-blocks, and the molecular formula is C7H6Cl2, Formula: C7H6Cl2.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Jacobsen, E. Jon; TenBrink, Ruth E.; Stelzer, Lindsay S.; Belonga, Kenneth L.; Carter, Donald B.; Im, Haesook K.; Im, Wha Bin; Sethy, Vimala H.; Tang, Andy H. published the artcile< High-Affinity Partial Agonist Imidazo[1,5-a]quinoxaline Amides, Carbamates, and Ureas at the γ-Aminobutyric Acid A/Benzodiazepine Receptor Complex>, Category: chlorides-buliding-blocks, the main research area is imidazoquinoxaline carbamate carboxamide preparation benzodiazepine receptor; anxiolytic imidazoquinoxaline carbamate carboxamide preparation; cyclopropyl oxadiazolyl imidazoquinoxalinecarboxamide preparation; urea imidazoquinoxaline preparation benzodiazepine receptor.

A series of imidazo[1,5-a]quinoxaline amides, carbamates, and ureas which have high affinity for the γ-aminobutyric acid A/benzodiazepine receptor complex was developed. Compounds within this class have varying efficacies ranging from antagonists to full agonists. However, most analogs were found to be partial agonists as indicated by [35S]TBPS and Cl- current ratios. Many of these compounds were also effective in antagonizing metrazole-induced seizures in accordance with anticonvulsant and possible anxiolytic activity. Selected quinoxalines displayed limited benzodiazepine-type side effects such as ethanol potentiation and phys. dependence in animal models. An interesting analog was 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N,N-dimethylimidazo[1,5-a]quinoxaline-5(4H)-carboxamide which has a partial agonist profile in vitro while possessing useful activity in animal models of anxiety such as the Vogel and Geller assays. In accordance with its partial agonist profile, 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N,N-dimethylimidazo[1,5-a]quinoxaline-5(4H)-carboxamide was devoid of typical benzodiazepine side effects.

Journal of Medicinal Chemistry published new progress about Anxiolytics. 55687-19-9 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H5ClN2O, Category: chlorides-buliding-blocks.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Miyagawa, Masayoshi; Akiyama, Toshiyuki; Mikamiyama-Iwata, Minako; Hattori, Kazunari; Kurihara, Naoko; Taoda, Yoshiyuki; Takahashi-Kageyama, Chika; Kurose, Noriyuki; Mikamiyama, Hidenori; Suzuki, Naoyuki; Takaya, Kenji; Tomita, Kenji; Matsuo, Kenji; Morimoto, Kenji; Yoshida, Ryu; Shishido, Takao; Yoshinaga, Tomokazu; Sato, Akihiko; Kawai, Makoto published the artcile< Discovery of novel 5-hydroxy-4-pyridone-3-carboxy acids as potent inhibitors of influenza Cap-dependent endonuclease>, HPLC of Formula: 16799-05-6, the main research area is hydroxy pyridonecarboxy acid preparation influenza Cap endonuclease inhibitor; Anti-influenza drug; Cap-dependent endonuclease; Chelator; Pyridone; Virtual modeling.

We report the discovery of a novel series of influenza Cap-dependent EndoNuclease (CEN) inhibitors based on the 4-pyridone-carboxylic acid (PYXA) scaffold, which were found from our chelate library. Our SAR research revealed the lipophilic domain to be the key to CEN inhibition. In particular, the position between the chelate and the lipophilic domain in the derivatives was essential for enhancing the potency. Our study, based on virtual modeling, led to the identification of 2y as a potent CEN inhibitor with an IC50 of 5.12 nM.

Bioorganic & Medicinal Chemistry Letters published new progress about Antiviral agents. 16799-05-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H8BrCl, HPLC of Formula: 16799-05-6.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Jiang, Huanfeng; Zhang, Hao; Xiong, Wenfang; Qi, Chaorong; Wu, Wanqing; Wang, Lu; Cheng, Ruixiang published the artcile< Iridium-Catalyzed Three-component Coupling Reaction of Carbon Dioxide, Amines, and Sulfoxonium Ylides>, Application of C9H7ClO, the main research area is carbon dioxide amine sulfoxonium ylide three component coupling iridium; aryl oxoalkyl carbamate preparation mol crystal structure; steroid oxoalkyl carbamate preparation antitumor; iridium three component coupling catalyst.

The first iridium-catalyzed three-component coupling reaction of carbon dioxide, amines, and sulfoxonium ylides has been developed, providing an efficient and straightforward method for the construction of a range of structurally diverse O-β-oxoalkyl carbamates, e.g., I (X-rays single crystal structure shown), in moderate to excellent yields. This novel protocol features the use of readily available substrates, wide substrate scope, and good functional group tolerance. Moreover, the phosgene-free strategy was successfully applied to the synthesis of a potential antitumor agent via a a three-step procedure starting from a steroid carboxylic acid.

Organic Letters published new progress about Amines Role: RCT (Reactant), RACT (Reactant or Reagent). 17082-09-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C9H7ClO, Application of C9H7ClO.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Takashima, Hiroki; Koga, Yoshikatsu; Manabe, Shino; Ohnuki, Kazunobu; Tsumura, Ryo; Anzai, Takahiro; Iwata, Nozomi; Wang, Yang; Yokokita, Takuya; Komori, Yukiko; Mori, Daiki; Usuda, Sachiko; Haba, Hiromitsu; Fujii, Hirofumi; Matsumura, Yasuhiro; Yasunaga, Masahiro published the artcile< Radioimmunotherapy with an 211At-labeled anti-tissue factor antibody protected by sodium ascorbate>, Application of C4H4ClNO2, the main research area is astatine labeled anti tissue factor antibody sodium ascorbate radioimmunotherapy; antibody denaturation; astatine-211; radioimmunotherapy; sodium ascorbate; tissue factor.

Tissue factor (TF), the trigger protein of the extrinsic blood coagulation cascade, is abundantly expressed in various cancers including gastric cancer. Anti-TF monoclonal antibodies (mAbs) capable of targeting cancers have been successfully applied to armed antibodies such as antibody-drug conjugates (ADCs) and mol. imaging probes. We prepared an anti-TF mAb, clone 1084, labeled with astatine-211 (211At), as a promising alpha emitter for cancer treatment. Alpha particles are characterized by high linear energy transfer and a range of 50-100 μm in tissue. Therefore, selective and efficient tumor accumulation of alpha emitters results in potent antitumor activities against cancer cells with minor effects on normal cells adjacent to the tumor. Although the 211At-conjugated clone 1084 (211At-anti-TF mAb) was disrupted by an 211At-induced radiochem. reaction, we demonstrated that astatinated anti-TF mAbs eluted in 0.6% or 1.2% sodium ascorbate (SA) solution were protected from antibody denaturation, which contributed to the maintenance of cellular binding activities and cytocidal effects of this immunoconjugate. Although body weight loss was observed in mice administered a 1.2% SA solution, the loss was transient and the radioprotectant seemed to be tolerable in vivo. In a high TF-expressing gastric cancer xenograft model, 211At-anti-TF mAb in 1.2% SA exerted a significantly greater antitumor effect than nonprotected 211At-anti-TF mAb. Moreover, the antitumor activities of the protected immunoconjugate in gastric cancer xenograft models were dependent on the level of TF in cancer cells. These findings suggest the clin. availability of the radioprotectant and applicability of clone 1084 to 211At-radioimmunotherapy.

Cancer Science published new progress about Antitumor agents. 128-09-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C4H4ClNO2, Application of C4H4ClNO2.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Kowalczyk, Bruce A. published the artcile< Synthesis of (dihalophenyl)acetic acids using aromatic nucleophilic substitution strategy>, COA of Formula: C6H3ClF2, the main research area is halophenylacetate preparation; acetate dihalophenyl preparation; fluorophenylacetate preparation; fluorohalobenzene cyanoacetate aromatic nucleophilic substitution.

A simple synthetic strategy to (dihalophenyl)acetates and specifically (3,5-difluorophenyl)acetate an important pharmaceutical intermediate was developed. The aromatic nucleophilic substitution of dihalofluorobenzenes using the anion of cyanoacetate yielded (dihalophenyl)cyanoacetates. Basic decarboxylation of the latter produced targeted (dihalophenyl)acetates.

Synthesis published new progress about Aryl fluorides Role: RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation). 1435-43-4 belongs to class chlorides-buliding-blocks, and the molecular formula is C6H3ClF2, COA of Formula: C6H3ClF2.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Liu, Xiaojing; Sun, Xiaoli; Duan, Xinping; Zhang, Chong; Zhao, Kunrong; Xu, Xijin published the artcile< Core-shell Ag@In2O3 hollow hetero-nanostructures for selective ethanol detection in air>, Synthetic Route of 22519-64-8, the main research area is silver indium oxide hetero nanostructure air ethanol detection.

By applying the Ag@carbon nanospheres as self-sacrificial templates, Ag@In2O3 core-shell nanospheres (Ag@In2O3 CSNs) have been successfully prepared via the aging and subsequent annealing process. The formation and sensing performances of this Ag@In2O3 CSNs based sensor are systematically evaluated and analyzed in detail. Compared to pristine In2O3 nanospheres with solid and hollow inner structures, the as-prepared Ag@In2O3 CSNs exhibit the best response (∼72.56 to 50 ppm), especially in terms of the outstanding reusability as well as the excellent anti-interference to other biomarkers in human breath. Such virtues are owing to the unique structure (porous shell and internal voids) and the catalytic effect of encapsulated Ag nanoparticles, which provides considerable active centers and diffusion channels for ethanol. The investigation in this research may shed light on the fabrication of a novel In2O3-based nanocomposite for ethanol gas sensor detection.

Sensors and Actuators, B: Chemical published new progress about Annealing. 22519-64-8 belongs to class chlorides-buliding-blocks, and the molecular formula is Cl3H8InO4, Synthetic Route of 22519-64-8.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Li, Xu-Jun; Zhang, Wei; Zhao, Chi-Na; Wu, Qing-Lai; Li, Jun-Kai; Xu, Zhi-Hong published the artcile< Synthesis and fungicidal activity of phenazine-1-carboxylic triazole derivatives>, Synthetic Route of 611-19-8, the main research area is phenazine carboxylic triazole preparation SAR fungicidal; Derivatives; fungicidal activity; phenazine-1-carboxylic acid; synthesis; triazole.

A total of 15 novel-substituted 3-(benzylsulfanyl)-1H-1,2,4-triazol-5-ylamines I [R = 3-MeC6H4, 2-FC6H4, 2,4-Cl2C6H3, etc.] and 10 novel-substituted 3-benzylmercapto-1,2,4-triazole derivatives II were synthesized based on the natural product phenazine-1-carboxylic acid (PCA). Their structures were confirmed by 1H-NMR, 13C-NMR, HRMS and X-ray. Most substituted 3-benzylmercapto-1,2,4-triazole derivatives II displayed very strong fungicidal activity against one or multiple plant pathogens in vitro and in vivo. Compounds II [R = 4-MeC6H4, 4-iPrC6H4, 4-tBuC6H4, etc.] showed a broad spectrum of fungicidal activity. Further field experiments indicated that compounds II [R = 4-MeC6H4, 2-FC6H4, 4-iPrC6H4, etc.] displayed better efficacy against rice blast (Pyricularia oryzae) than PCA. These data demonstrated that compounds II [R = 4-MeC6H4, 2-FC6H4, 4-iPrC6H4, etc.] were promising fungicidal candidates, deserving further studies.

Journal of Asian Natural Products Research published new progress about Agrochemical fungicides. 611-19-8 belongs to class chlorides-buliding-blocks, and the molecular formula is C7H6Cl2, Synthetic Route of 611-19-8.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics