Category: 1711-11-1

Discovery and biophysical characterization of 2-amino-oxadiazoles as novel antagonists of PqsR, an important regulator of Pseudomonas aeruginosa virulence was written by Zender, Michael;Klein, Tobias;Henn, Claudia;Kirsch, Benjamin;Maurer, Christine K.;Kail, Dagmar;Ritter, Christiane;Dolezal, Olan;Steinbach, Anke;Hartmann, Rolf W.. And the article was included in Journal of Medicinal Chemistry in 2013.Computed Properties of C8H4ClNO This article mentions the following:

The human pathogen Pseudomonas aeruginosa employs alkyl quinolones for cell-to-cell communication. The Pseudomonas quinolone signal (PQS) regulates various virulence factors via interaction with the transcriptional regulator PqsR. Therefore, the authors considered the development of PqsR antagonists as a novel strategy to limit the pathogenicity of P. aeruginosa. A fragment identification approach using surface plasmon resonance screening led to the discovery of chem. diverse PqsR ligands. The optimization of the most promising hit (5) resulted in the oxadiazole-2-amine 37 showing pure antagonistic activity in Escherichia coli (EC₅₀ = 7.5 渭M) and P. aeruginosa (EC₅₀ = 38.5 渭M) reporter gene assays. Compound 37 was able to diminish the production of the PQS precursor HHQ in a PqsH-deficient P. aeruginosa mutant. The level of the major virulence factor pyocyanin was significantly reduced in wild-type P. aeruginosa. In addition, site-directed mutagenesis in combination with isothermal titration calorimetry and NMR INPHARMA experiments revealed that the identified ligands bind to the same site of PqsR by adopting different binding modes. These findings might be utilized in a future fragment-growing approach aiming at novel therapeutic options for the treatment of P. aeruginosa infections. In the experiment, the researchers used many compounds, for example, 3-Cyanobenzoyl chloride (cas: 1711-11-1Computed Properties of C8H4ClNO).

3-Cyanobenzoyl chloride (cas: 1711-11-1) belongs to organic chlorides. Organic chlorides can cause corrosion in pipelines, valves and condensers, and cause catalyst poisoning. The hydrocarbon processing industry (HPI) and others are affected by damage caused by these substances. Alkanes and aryl alkanes may be chlorinated under free radical conditions, with UV light. However, the extent of chlorination is difficult to control.Computed Properties of C8H4ClNO

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

Multi-functional multi-valency: a focused library of polymeric cholera toxin antagonists was written by Tran, Huu-Anh;Kitov, Pavel I.;Paszkiewicz, Eugenia;Sadowska, Joanna M.;Bundle, David R.. And the article was included in Organic & Biomolecular Chemistry in 2011.Recommanded Product: 3-Cyanobenzoyl chloride This article mentions the following:

Structural pre-organization of the multivalent ligands is important for successful interaction with multimeric proteins. Polymer-based hetero-bifunctional ligands that contain pendant groups prearranged into hetero-dimers can be used to probe the active site and surrounding area of the receptor. Here we describe the synthesis and activities of a series of galactose conjugates on polyacrylamide and dextran. Conjugation of a second fragment resulted in nano-molar inhibitors of cholera toxin, while the galactose-only progenitors showed no detectable activity. In the experiment, the researchers used many compounds, for example, 3-Cyanobenzoyl chloride (cas: 1711-11-1Recommanded Product: 3-Cyanobenzoyl chloride).

3-Cyanobenzoyl chloride (cas: 1711-11-1) belongs to organic chlorides. An organic chloride is an organic compound containing at least one covalently bonded atom of chlorine. Their wide structural variety and divergent chemical properties lead to a broad range of names and applications. Alkyl chlorides are versatile building blocks in organic chemistry. While alkyl bromides and iodides are more reactive, alkyl chlorides tend to be less expensive and more readily available.Recommanded Product: 3-Cyanobenzoyl chloride

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

Limiting the Number of Potential Binding Modes by Introducing Symmetry into Ligands: Structure-Based Design of Inhibitors for Trypsin-Like Serine Proteases was written by Furtmann, Norbert;Haeussler, Daniela;Scheidt, Tamara;Stirnberg, Marit;Steinmetzer, Torsten;Bajorath, Juergen;Guetschow, Michael. And the article was included in Chemistry – A European Journal in 2016.Product Details of 1711-11-1 This article mentions the following:

In the absence of X-ray data, the exploration of compound binding modes continues to be a challenging task. For structure-based design, specific features of active sites in different targets play a major role in rationalizing ligand binding characteristics. For example, dibasic compounds have been reported as potent inhibitors of various trypsin-like serine proteases, the active sites of which contain several binding pockets that can be targeted by cationic moieties. This results in several possible orientations within the active site, complicating the binding mode prediction of such compounds by docking tools. Therefore, we introduced symmetry in bi- and tribasic compounds to reduce conformational space in docking calculations and to simplify binding mode selection by limiting the number of possible pocket occupations. Asym. bisbenzamidines were used as starting points for a multistage and structure-guided optimization. A series of 24 final compounds with either two or three benzamidine substructures was ultimately synthesized and evaluated as inhibitors of five serine proteases, leading to potent sym. inhibitors for the pharmaceutical drug targets matriptase, matriptase-2, thrombin and factor Xa. This study underlines the relevance of ligand symmetry for chem. biol. In the experiment, the researchers used many compounds, for example, 3-Cyanobenzoyl chloride (cas: 1711-11-1Product Details of 1711-11-1).

3-Cyanobenzoyl chloride (cas: 1711-11-1) belongs to organic chlorides. Organic chlorides can cause corrosion in pipelines, valves and condensers, and cause catalyst poisoning. The hydrocarbon processing industry (HPI) and others are affected by damage caused by these substances. The haloform reaction, using chlorine and sodium hydroxide, is also able to generate alkyl halides from methyl ketones, and related compounds. Chloroform was formerly produced thus.Product Details of 1711-11-1

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

Indolinyl-Thiazole Based Inhibitors of Scavenger Receptor-BI (SR-BI)-Mediated Lipid Transport was written by Dockendorff, Chris;Faloon, Patrick W.;Yu, Miao;Youngsaye, Willmen;Penman, Marsha;Nieland, Thomas J. F.;Nag, Partha P.;Lewis, Timothy A.;Pu, Jun;Bennion, Melissa;Negri, Joseph;Paterson, Conor;Lam, Garrett;Dandapani, Sivaraman;Perez, Jose R.;Munoz, Benito;Palmer, Michelle A.;Schreiber, Stuart L.;Krieger, Monty. And the article was included in ACS Medicinal Chemistry Letters in 2015.Product Details of 1711-11-1 This article mentions the following:

A potent class of indolinyl-thiazole based inhibitors of cellular lipid uptake mediated by scavenger receptor, class B, type I (SR-BI) was identified via a high-throughput screen of the National Institutes of Health Mol. Libraries Small Mol. Repository (NIH MLSMR) in an assay measuring the uptake of the fluorescent lipid DiI from HDL particles. This class of compounds is represented by ML278 (I), a potent (average IC₅₀ = 6 nM) and reversible inhibitor of lipid uptake via SR-BI. ML278 is a plasma-stable, noncytotoxic probe that exhibits moderate metabolic stability, thus displaying improved properties for in vitro and in vivo studies. Strikingly, ML278 and previously described inhibitors of lipid transport share the property of increasing the binding of HDL to SR-BI, rather than blocking it, suggesting there may be similarities in their mechanisms of action. In the experiment, the researchers used many compounds, for example, 3-Cyanobenzoyl chloride (cas: 1711-11-1Product Details of 1711-11-1).

3-Cyanobenzoyl chloride (cas: 1711-11-1) belongs to organic chlorides. Organic chlorides are compounds containing a carbon-chlorine bond, which are widely used in the oil field as a wax dissolver. Organochlorine compounds are lipophylic, meaning they are more soluble in fat than in water. This gives them a high tenancy to accumulate in the food chain (biomagnification).Product Details of 1711-11-1

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

Metathesis-active ligands enable a catalytic functional group metathesis between aroyl chlorides and aryl iodides was written by Lee, Yong Ho;Morandi, Bill. And the article was included in Nature Chemistry in 2018.Synthetic Route of C8H4ClNO This article mentions the following:

Current methods for functional group interconversion have, for the most part, relied on relatively strong driving forces which often require highly reactive reagents to generate irreversibly a desired product in high yield and selectivity. These approaches generally prevent the use of the same catalytic strategy to perform the reverse reaction. Here we describe a catalytic functional group metathesis approach to interconvert, under CO-free conditions, two synthetically important classes of electrophiles that are often employed in the preparation of pharmaceuticals and agrochems.-aroyl chlorides (ArCOCl) and aryl iodides (ArI). Our reaction design relies on the implementation of a key reversible ligand C-P bond cleavage event, which enables a non-innocent, metathesis-active phosphine ligand to mediate a rapid aryl group transfer between the two different electrophiles. Beyond enabling a practical and safer approach to the interconversion of ArCOCl and ArI, this type of ligand non-innocence provides a blueprint for the development of a broad range of functional group metathesis reactions employing synthetically relevant aryl electrophiles. In the experiment, the researchers used many compounds, for example, 3-Cyanobenzoyl chloride (cas: 1711-11-1Synthetic Route of C8H4ClNO).

3-Cyanobenzoyl chloride (cas: 1711-11-1) belongs to organic chlorides. Organochlorines are organic compounds having multiple chlorine atoms. They were the first synthetic pesticides that were used in agriculture. They are resistant to most microbial and chemical degradations.While alkyl bromides and iodides are more reactive, alkyl chlorides tend to be less expensive and more readily available. Alkyl chlorides readily undergo attack by nucleophiles.Synthetic Route of C8H4ClNO

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

Novel CpAg(I)-Containing Organometallic Coordination Polymers Generated from Fulvene Ligands was written by Dong, Yu-Bin;Jin, Guo-Xia;Zhao, Xia;Tang, Bo;Huang, Ru-Qi;Smith, Mark D.;Stitzer, K. E.;Zur Loye, Hans-Conrad. And the article was included in Organometallics in 2004.Reference of 1711-11-1 This article mentions the following:

Two new fulvene ligands, L1 and L2, have been synthesized by an aroylation reaction of the cyclopentadienyl anion. The coordination chem. of L1 and L2 was investigated. Two novel CpAg(I)-containing polymeric compounds, 1 ([Ag₄(L1)₂(渭-H₂O)₂(SO₃CF₃)₄]路(渭-bis-畏¹-C₆H₆))路H₂O and 2 ([Ag₂(L2)(H₂O)(SO₃CF₃)₂]路0.5(C₆H₆)), have been synthesized. Compounds 1 and 2 have been fully characterized by IR spectroscopy, elemental anal., and single-crystal x-ray diffraction. The solid state structure of 1 features a macro-ring-containing one-dimensional chain motif. The solid state structure of 2 features a one-dimensional double-chain motif. These double chains are further cross-linked to each other via CpAg(SO₃CF₃)₂AgCp (Ag路路路Ag contact of 4.215(15) 脜) linkage into a novel 2-D network with large cavities (effective cross-section of ca. 21 脳 9 脜), in which the benzene guest mols. are located. In the experiment, the researchers used many compounds, for example, 3-Cyanobenzoyl chloride (cas: 1711-11-1Reference of 1711-11-1).

3-Cyanobenzoyl chloride (cas: 1711-11-1) belongs to organic chlorides. Organochlorines are organic compounds having multiple chlorine atoms. They were the first synthetic pesticides that were used in agriculture. They are resistant to most microbial and chemical degradations. Aliphatic organochlorides are often alkylating agents as chlorine can act as a leaving group, which can result in cellular damage.Reference of 1711-11-1

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

PTP-1B inhibitors: Cyclopenta[d][1,2]-oxazine derivatives was written by Cho, Sung Yun;Baek, Ji Yoen;Han, Sang Sub;Kang, Seung Kyu;Ha, Jae Du;Ahn, Jin Hee;Lee, Jae Don;Kim, Kwang Rok;Cheon, Hyae Gyeong;Rhee, Sang Dal;Yang, Sung Don;Yon, Gyu Hwan;Pak, Chwang Siek;Choi, Joong-Kwon. And the article was included in Bioorganic & Medicinal Chemistry Letters in 2006.Name: 3-Cyanobenzoyl chloride This article mentions the following:

A series of novel cyclopenta[d][1,2]-oxazine derivatives was prepared and evaluated for their inhibitory activity toward protein tyrosine phosphatase 1B (PTP-1B). Compound 6s (I)was found to be an inhibitor of PTP-1B with nanomolar IC₅₀ value and high level of selectivity over other recombinant phosphatases. In the experiment, the researchers used many compounds, for example, 3-Cyanobenzoyl chloride (cas: 1711-11-1Name: 3-Cyanobenzoyl chloride).

3-Cyanobenzoyl chloride (cas: 1711-11-1) belongs to organic chlorides. An organic chloride is an organic compound containing at least one covalently bonded atom of chlorine. Their wide structural variety and divergent chemical properties lead to a broad range of names and applications. Aliphatic organochlorides are often alkylating agents as chlorine can act as a leaving group, which can result in cellular damage.Name: 3-Cyanobenzoyl chloride

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

Amide Effects in C-H Activation: Noncovalent Interactions with L-Shaped Ligand for meta Borylation of Aromatic Amides was written by Bisht, Ranjana;Hoque, Emdadul Md;Chattopadhyay, Buddhadeb. And the article was included in Angewandte Chemie, International Edition in 2018.SDS of cas: 1711-11-1 This article mentions the following:

Borylated aromatic amides 3-pinBC₆H_4-nX_nCONR₂ (6a–t; X = halo, CN, Ph, benzo, MeO) were prepared by meta C-H activation/borylation of amides X_nC₆H_5-nCONR₂ with B₂pin₂, catalyzed by [Ir₂(cod)₂(渭-OMe)₂]/L¹ with up to 99% regioselectivity. A new concept for the meta-selective iridium-catalyzed borylation of aromatic amides is described. It has been demonstrated that while esters gave para-borylated products, amides lead to meta borylations. For achieving high meta selectivity, an L-shaped bifunctional ligand I (L¹) has been employed and engages in an O…K noncovalent interaction with the oxygen atom of the moderately distorted amide carbonyl group. This interaction provides exceptional control for providing up to 99% selective formation of meta-borylated products. In the experiment, the researchers used many compounds, for example, 3-Cyanobenzoyl chloride (cas: 1711-11-1SDS of cas: 1711-11-1).

3-Cyanobenzoyl chloride (cas: 1711-11-1) belongs to organic chlorides. Organic chlorides can cause corrosion in pipelines, valves and condensers, and cause catalyst poisoning. The hydrocarbon processing industry (HPI) and others are affected by damage caused by these substances.While alkyl bromides and iodides are more reactive, alkyl chlorides tend to be less expensive and more readily available. Alkyl chlorides readily undergo attack by nucleophiles.SDS of cas: 1711-11-1

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

Amide Effects in C-H Activation: Noncovalent Interactions with L-Shaped Ligand for meta Borylation of Aromatic Amides was written by Bisht, Ranjana;Hoque, Emdadul Md;Chattopadhyay, Buddhadeb. And the article was included in Angewandte Chemie, International Edition in 2018.SDS of cas: 1711-11-1 This article mentions the following:

Borylated aromatic amides 3-pinBC₆H_4-nX_nCONR₂ (6a–t; X = halo, CN, Ph, benzo, MeO) were prepared by meta C-H activation/borylation of amides X_nC₆H_5-nCONR₂ with B₂pin₂, catalyzed by [Ir₂(cod)₂(μ-OMe)₂]/L¹ with up to 99% regioselectivity. A new concept for the meta-selective iridium-catalyzed borylation of aromatic amides is described. It has been demonstrated that while esters gave para-borylated products, amides lead to meta borylations. For achieving high meta selectivity, an L-shaped bifunctional ligand I (L¹) has been employed and engages in an O…K noncovalent interaction with the oxygen atom of the moderately distorted amide carbonyl group. This interaction provides exceptional control for providing up to 99% selective formation of meta-borylated products. In the experiment, the researchers used many compounds, for example, 3-Cyanobenzoyl chloride (cas: 1711-11-1SDS of cas: 1711-11-1).

3-Cyanobenzoyl chloride (cas: 1711-11-1) belongs to organic chlorides. Organic chlorides can cause corrosion in pipelines, valves and condensers, and cause catalyst poisoning. The hydrocarbon processing industry (HPI) and others are affected by damage caused by these substances.While alkyl bromides and iodides are more reactive, alkyl chlorides tend to be less expensive and more readily available. Alkyl chlorides readily undergo attack by nucleophiles.SDS of cas: 1711-11-1

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

Design and synthesis of aminothiazole based Hepatitis B Virus (HBV) capsid inhibitors was written by Pan, Ting;Ding, Yanchao;Wu, Liyang;Liang, Liting;He, Xin;Li, Qianwen;Bai, Chuan;Zhang, Hui. And the article was included in European Journal of Medicinal Chemistry in 2019.Recommanded Product: 3-Cyanobenzoyl chloride This article mentions the following:

The capsid assembly is an essential step for Hepatitis B Virus (HBV) life cycle and is an important target for anti-HBV drug development. In this report, we identified a hit compound with aminothiazole structure by the high throughput screening (HTS) which inhibited the interaction of HBV capsid protein within the cells. The structure hopping and SAR studies of the hit compound afforded compound 79 with potent anti-HBV replication activity and good basic drug-like properties. The working mechanism studies showed that compound 79 could bind to the similar binding site of known HBV capsid inhibitor with heteroaryldihydropyrimidine (HAP) scaffold, through similar hydrophobic interactions but with a different hydrogen bond. This compound exerted potent inhibitory effect upon HBV production, either in cell culture or in mice with no obvious acute toxicity. We propose that further development of this compound could lead to novel potent anti-HBV inhibitors that target HBV capsid assembly. In the experiment, the researchers used many compounds, for example, 3-Cyanobenzoyl chloride (cas: 1711-11-1Recommanded Product: 3-Cyanobenzoyl chloride).

3-Cyanobenzoyl chloride (cas: 1711-11-1) belongs to organic chlorides. Organochlorines stimulate the central nervous system and cause convulsions, tremor, nausea, and mental confusion. Examples are dichlorodiphenyltrichloroethane (DDT), chlordane, lindane, endosulfan, and dieldrin. Aliphatic organochlorides are often alkylating agents as chlorine can act as a leaving group, which can result in cellular damage.Recommanded Product: 3-Cyanobenzoyl chloride

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