Tag: 100-200

Antagonists of human CCR5 receptor containing 4-(pyrazolyl)piperidine side chains. Part 3: SAR studies on the benzylpyrazole segment was written by Shu, Min;Loebach, Jennifer L.;Parker, Kerry A.;Mills, Sander G.;Chapman, Kevin T.;Shen, Dong-Ming;Malkowitz, Lorraine;Springer, Martin S.;Gould, Sandra L.;DeMartino, Julie A.;Siciliano, Salvatore J.;Di Salvo, Jerry;Lyons, Kathy;Pivnichny, James V.;Kwei, Gloria Y.;Carella, Anthony;Carver, Gwen;Holmes, Karen;Schleif, William A.;Danzeisen, Renee;Hazuda, Daria;Kessler, Joseph;Lineberger, Janet;Miller, Michael D.;Emini, Emilio A.. And the article was included in Bioorganic & Medicinal Chemistry Letters in 2004.SDS of cas: 6834-42-0 This article mentions the following:

Extensive SAR studies in our benzylpyrazole series of CCR5 antagonists have shown that both lipophilic and hydrophilic substituents on the Ph of the benzyl group increase antiviral potency. However, improvements in pharmacokinetic profiles were generally only observed with more lipophilic substitutions. 4-Biphenyl performed the best in this regard. Highly lipophilic substituents impart undesirable ion channel activity to these CCR5 antagonists. Alkoxy substituents provide a good balance of antiviral activity, pharmacokinetic parameters, and selectivity. Compounds containing a 3,4-dimethoxy substituent, are considered the most promising improvements over parent compounds They demonstrate improved antiviral activity while retaining good pharmacokinetic profile and selectivity. In the experiment, the researchers used many compounds, for example, 2-(3-Methoxyphenyl)acetyl chloride (cas: 6834-42-0SDS of cas: 6834-42-0).

2-(3-Methoxyphenyl)acetyl chloride (cas: 6834-42-0) 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. 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.SDS of cas: 6834-42-0

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

Determining the excited-state substituent constants of furyl and thienyl groups was written by Qu, Junyan;Cao, Chao-Tun;Cao, Chenzhong. And the article was included in Journal of Physical Organic Chemistry in 2018.Electric Literature of C8H9Cl This article mentions the following:

Six series of styrene derivatives XCH=CHArY (total of 65) containing the styrene parent mol. skeleton were synthesized (here, Y is OMe, Me, H, F, Cl, CF₃, CN, and NO₂, and X is 2-furyl, 3-furyl, 2′-methyl-2-furyl, 2-thienyl, 3-thienyl, and 2′-methyl-2-thienyl). Their UV absorption spectra were measured in anhydrous ethanol, and their wavelength of absorption maximum λ_max was recorded. For the wavenumber ν_max (cm^-1, ν_max = 1/λ_max) of the obtained λ_max, a quant. correlation anal. was performed, and 6 excited-state substituent constants σCCpex of groups X were obtained by means of curve-fitting method. Taking the ν_max values of total 90 compounds of styrene derivatives as a data set (including 25 compounds from reference and 65 compounds of this work), a quant. correlation anal. was performed, and the reliability of the obtained σCCpex was verified. In addition, 12 samples of disubstituted Schiff bases (XCH=NArY) involving the above groups X were synthesized, and their ν_max values were recorded. Using these 12 ν_max together with the 14 ν_max values of Schiff bases taken from reference (total of 26 compounds), it was further verified that the σCCpex values are reliable by means of quant. correlation method. In the experiment, the researchers used many compounds, for example, 1-(Chloromethyl)-3-methylbenzene (cas: 620-19-9Electric Literature of C8H9Cl).

1-(Chloromethyl)-3-methylbenzene (cas: 620-19-9) belongs to organic chlorides. Chlorination modifies the physical properties of hydrocarbons in several ways. These compounds are typically denser than water due to the higher atomic weight of chlorine versus hydrogen. Alkyl chlorides readily react with amines to give substituted amines. Alkyl chlorides are substituted by softer halides such as the iodide in the Finkelstein reaction.Electric Literature of C8H9Cl

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

Palladium-Catalyzed meta-Selective C-H Alkenylation and Acetoxylation of Arylacetic Acid Using a Pyrimidine Template was written by Jiao, Bo;Peng, Zhen;Dai, Zhen-Hua;Li, Lei;Wang, He;Zhou, Ming-Dong. And the article was included in European Journal of Organic Chemistry in 2019.Application In Synthesis of 2,5-Difluorophenylacetyl chloride This article mentions the following:

In the presence of Pd(OAc)₂ and N-acetylglycine, pyrimidinylphenyl esters of arylacetic acids such as I underwent regioselective meta-selective alkenylation reactions with electron-deficient alkenes such as Et acrylate mediated by Ag₂CO₃ in hexafluoroisopropanol to yield alkenylarylacetate esters such as II. Using PhI(OAc)₂ as oxidant and Ac₂O, four of the pyrimidinylphenyl esters underwent regioselective acetoxylation to yield acetoxyphenylacetates. The pyrimidinylphenyl moiety was readily removable from the products and recovered. In the experiment, the researchers used many compounds, for example, 2,5-Difluorophenylacetyl chloride (cas: 157033-23-3Application In Synthesis of 2,5-Difluorophenylacetyl chloride).

2,5-Difluorophenylacetyl chloride (cas: 157033-23-3) 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. Aliphatic organochlorides are often alkylating agents as chlorine can act as a leaving group, which can result in cellular damage.Application In Synthesis of 2,5-Difluorophenylacetyl chloride

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

Synthesis and biological activity of cyclic imide derivatives and related compounds was written by Ando, Iwao;Ohtsuka, Toshikazu;Miki, Nobuo;Takahashi, Toshio;Hayase, Yoshio;Hayashi, Yoshiyuki. And the article was included in Agricultural and Biological Chemistry in 1989.Synthetic Route of C6H5Cl2NO This article mentions the following:

Cyclic imides (imidazoles, phthalimides, phthalamates, isophthalimides) were prepared and their growth-inhibiting activity (in Lemna pausicostata) was related to their structure. All these compounds showed extremely high growth-inhibiting activity with duckweed, equal or better then oxadiazon. The imidazole series showed the highest activity. The activity was dependent on the structure of the imide moiety and on the substituents of the aryl moiety. In the experiment, the researchers used many compounds, for example, 5-Amino-2,4-dichlorophenol (cas: 39489-79-7Synthetic Route of C6H5Cl2NO).

5-Amino-2,4-dichlorophenol (cas: 39489-79-7) belongs to organic chlorides. Organic chlorides can be used in production of: PVC, pesticides, chloromethane, teflon, insulators. Alkanes and aryl alkanes may be chlorinated under free radical conditions, with UV light. However, the extent of chlorination is difficult to control.Synthetic Route of C6H5Cl2NO

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

Hierarchical Structure with Highly Ordered Macroporous-Mesoporous Metal-Organic Frameworks as Dual Function for CO₂ Fixation was written by Li, Zhenxing;Xing, Xiaofei;Meng, Dong;Wang, Zhengxu;Xue, Jingjing;Wang, Rui;Chu, Junmei;Li, Mingming;Yang, Yang. And the article was included in iScience in 2019.Quality Control of 1-(Chloromethyl)-3-methylbenzene This article mentions the following:

As a major greenhouse gas, the continuous increase of carbon dioxide (CO₂) in the atm. has caused serious environmental problems, although CO₂ is also an abundant, inexpensive, and nontoxic carbon source. Here, we use metal-organic framework (MOF) with highly ordered hierarchical structure as adsorbent and catalyst for chem. fixation of CO₂ at atm. pressure, and the CO₂ can be converted to the formate in excellent yields. Meanwhile, we have successfully integrated highly ordered macroporous and mesoporous structures into MOFs, and the macro-, meso-, and microporous structures have all been presented in one framework. Based on the unique hierarchical pores, high surface area (592 m²/g), and high CO₂ adsorption capacity (49.51 cm³/g), the ordered macroporous-mesoporous MOFs possess high activity for chem. fixation of CO₂ (yield of 77%). These results provide a promising route of chem. CO₂ fixation through MOF materials. In the experiment, the researchers used many compounds, for example, 1-(Chloromethyl)-3-methylbenzene (cas: 620-19-9Quality Control of 1-(Chloromethyl)-3-methylbenzene).

1-(Chloromethyl)-3-methylbenzene (cas: 620-19-9) 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. 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.Quality Control of 1-(Chloromethyl)-3-methylbenzene

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

Novel Imidazol-1-ylmethyl Substituted 1,2,5,6-Tetrahydropyrrolo[3,2,1-ij]quinolin-4-ones as Potent and Selective CYP11B1 Inhibitors for the Treatment of Cushing’s Syndrome was written by Yin, Lina;Lucas, Simon;Maurer, Frauke;Kazmaier, Uli;Hu, Qingzhong;Hartmann, Rolf W.. And the article was included in Journal of Medicinal Chemistry in 2012.Synthetic Route of C8H4ClNO This article mentions the following:

CYP11B1 inhibition is a promising therapy for Cushing’s syndrome. Starting from etomidate and references I and II, the title compounds were designed and synthesized. Cyclopropyl analog III was identified as a CYP11B1 inhibitor more potent (IC₅₀ = 2.2 nM) than leads and more selective (SF = 11) than I and metyrapone. Since it also showed potent inhibition of rat CYP11B1 and good selectivity over human CYP17 and CYP19, it is a promising candidate for further development. 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

Synthesis and antitumor activity of new derivatives of flavone-8-acetic acid (FAA). Part 2. Ring-substituted derivatives was written by Aitken, R. Alan;Bibby, Michael C.;Double, John A.;Laws, Andrea L.;Ritchie, Robert B.;Wilson, David W. J.. And the article was included in Archiv der Pharmazie (Weinheim, Germany) in 1997.Related Products of 3438-16-2 This article mentions the following:

A range of 18 derivatives of flavone-8-acetic acid (FAA) with substituents on the 2-Ph group were prepared, and their antitumor activity was evaluated in vitro against a panel of human and murine tumor cell lines and in vivo against MAC 15A. There was no clear-cut relationship between in-vitro and in-vivo activity but the activity in each situation was very sensitive to the precise substitution pattern with closely related isomers giving widely different activities. Some of the compounds were active in vivo. In the experiment, the researchers used many compounds, for example, 5-Chloro-2-methoxybenzoic acid (cas: 3438-16-2Related Products of 3438-16-2).

5-Chloro-2-methoxybenzoic acid (cas: 3438-16-2) belongs to organic chlorides. Organic chlorides can be used in production of: PVC, pesticides, chloromethane, teflon, insulators. 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.Related Products of 3438-16-2

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

Design, synthesis, and biological studies of novel 3-benzamidobenzoic acid derivatives as farnesoid X receptor partial agonist was written by Hu, Lijun;Ren, Qiang;Deng, Liming;Zhou, Zongtao;Cai, Zongyu;Wang, Bin;Li, Zheng. And the article was included in European Journal of Medicinal Chemistry in 2021.COA of Formula: C8H9Cl This article mentions the following:

Farnesoid X receptor (FXR), a bile acid-activated nuclear receptor, regulates the metabolism of bile acid and lipids as well as maintains the stability of internal environment. FXR was considered as a therapeutic target of liver disorders, such as drug-induced liver injury, fatty liver and cholestasis. The previous reported FXR partial agonist I was a suitable lead compound in terms of its high potent and low mol. size, while the docking study of compound I suggested a large unoccupied hydrophobic pocket, which might be provided more possibility of structure-activity relationship (SAR) study. In this study, we have performed comprehensive SAR and mol. modeling studies based on lead compound I. All of these efforts resulted in the identification of a novel series of FXR partial agonists. In this series, compound II revealed the best activity and strong interaction with binding pocket of FXR. Moreover, compound II protected mice against acetaminophen-induced hepatotoxicity by the regulation of FXR-related gene expression and improving antioxidant capacity. In summary, these results suggest that compound II is a promising FXR partial agonist suitable for further investigation. In the experiment, the researchers used many compounds, for example, 1-(Chloromethyl)-3-methylbenzene (cas: 620-19-9COA of Formula: C8H9Cl).

1-(Chloromethyl)-3-methylbenzene (cas: 620-19-9) 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. Aryl chlorides may be prepared by the Friedel-Crafts halogenation, using chlorine and a Lewis acid catalyst.COA of Formula: C8H9Cl

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

Synthesis and electronic spectra of 1-aryl-2-ferrocenylethylenes was written by Toma, S.;Gaplovsky, A.;Elecko, P.. And the article was included in Chemical Papers in 1985.Recommanded Product: 6834-42-0 This article mentions the following:

Fourteen 1-aryl-2-ferrocenylethylenes FcCH:CHC₆H₄R (Fc = ferrocenyl; R = H, halo, MeO, etc.) were synthesized from ferrocene and substituted phenylacetic acids. Those bearing electron-accepting groups were prepared by Wittig reaction from FcCH₂Ph₃P⁺ I^– iodide and aromatic aldehydes. Relationship between the electronic spectra, especially of the so-called d–d band at about 440 nm and the effect of substituent of the title products was investigated. In the experiment, the researchers used many compounds, for example, 2-(3-Methoxyphenyl)acetyl chloride (cas: 6834-42-0Recommanded Product: 6834-42-0).

2-(3-Methoxyphenyl)acetyl chloride (cas: 6834-42-0) belongs to organic chlorides. Chlorinated organic compounds are found in nearly every class of biomolecules and natural products including alkaloids, terpenes, amino acids, flavonoids, steroids, and fatty acids. Alkyl chlorides readily react with amines to give substituted amines. Alkyl chlorides are substituted by softer halides such as the iodide in the Finkelstein reaction.Recommanded Product: 6834-42-0

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

Design and synthesis of conformationally constraint Dyrk1A inhibitors by creating an intramolecular H-bond involving a benzothiazole core was written by Salah, Mohamed;Abdel-Halim, Mohammad;Engel, Matthias. And the article was included in MedChemComm in 2018.Safety of 2-(3-Methoxyphenyl)acetyl chloride This article mentions the following:

The development of conformationally pre-organised Dyrk1A inhibitors based on the hydroxybenzothiazole urea I (X = NH, O, CH₂; R¹ = H, 3-OH, CONHC₆H₅), II (X = NH, O, CH₂; Y = C₆H₅, 3-CH₃OC₆H₄, 4-COOHC₆H₄, etc.) scaffold is presented. The modifications introduced to the discovered hit (AHS-211) proved the crucial role of the urea linker to preserve the bioactive conformation and led to the development of compound I (X = NH; R¹ = 4-methylpiperazinylcarbonyl), as a promising selective Dyrk1A inhibitor. In the experiment, the researchers used many compounds, for example, 2-(3-Methoxyphenyl)acetyl chloride (cas: 6834-42-0Safety of 2-(3-Methoxyphenyl)acetyl chloride).

2-(3-Methoxyphenyl)acetyl chloride (cas: 6834-42-0) belongs to organic chlorides. Organic chlorides can be used in production of: PVC, pesticides, chloromethane, teflon, insulators. Aliphatic organochlorides are often alkylating agents as chlorine can act as a leaving group, which can result in cellular damage.Safety of 2-(3-Methoxyphenyl)acetyl chloride

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