Tag: 100-200

(2,6-Difluorophenyl)(4-methylpiperidin-1-yl)methanone was written by Al-Dajani, Mohammad T. M.;Adballah, Hassan H.;Mohamed, Nornisah;Hemamalini, Madhukar;Fun, Hoong-Kun. And the article was included in Acta Crystallographica, Section E: Structure Reports Online in 2011.Electric Literature of C7H5ClF2 This article mentions the following:

In the title compound, C₁₃H₁₅F₂NO, the piperidine ring adopts a chair conformation. The dihedral angle between the least-squares plane of the piperidine ring and the benzene ring is 48.75(7)°. In the crystal structure, the mols. are connected via C-H···O H bonds, forming a zigzag chain along the b axis. Crystallog. data and at. coordinates are given. In the experiment, the researchers used many compounds, for example, 2-(Chloromethyl)-1,3-difluorobenzene (cas: 697-73-4Electric Literature of C7H5ClF2).

2-(Chloromethyl)-1,3-difluorobenzene (cas: 697-73-4) 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. 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.Electric Literature of C7H5ClF2

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

Design, synthesis, biological evaluation, and docking study of novel dual-acting thiazole-pyridiniums inhibiting acetylcholinesterase and β-amyloid aggregation for Alzheimer’s disease was written by Ghotbi, Golaleh;Mahdavi, Mohammad;Najafi, Zahra;Moghadam, Farshad Homayouni;Hamzeh-Mivehroud, Maryam;Davaran, Soodabeh;Dastmalchi, Siavoush. And the article was included in Bioorganic Chemistry in 2020.Recommanded Product: 620-19-9 This article mentions the following:

New compounds containing thiazole and pyridinium moieties were designed and synthesized. The potency of the synthesized compounds as selective inhibitors of acetylcholinesterase (AChE), and β-amyloid aggregation (Aβ) was evaluated. Compounds 7d and 7j showed the best AChE inhibitory activities at the submicromolar concentration range (IC₅₀ values of 0.40 and 0.69μM, resp.). Most of the novel compounds showed moderate to low inhibition of butyrylcholinesterase (BChE), which is indicative of their selective inhibitory effects towards AChE. Kinetic studies using the most potent compounds 7d and 7j confirmed a mixed-type of AChE inhibition mechanism in accordance with the docking results, which shows their interactions with both catalytic active (CAS) and peripheral anionic (PAS) sites. The specific binding of 7a, 7j, and 7m to PAS domain of AChE was also confirmed exptl. In addition, 7d and 7j were able to show β-amyloid self-aggregation inhibitory effects (20.38 and 42.66% resp.) stronger than donepezil (14.70%) assayed at 10μM concentration Moreover, compounds 7j and 7m were shown to be effective neuroprotective agents in H₂O₂-induced oxidative stress on PC₁₂ cells almost similar to those observed for donepezil. The ability of 7j to pass blood-brain barrier was demonstrated using the PAMPA method. The results presented in this work provide useful information about designing novel anti-Alzheimer agents. In the experiment, the researchers used many compounds, for example, 1-(Chloromethyl)-3-methylbenzene (cas: 620-19-9Recommanded Product: 620-19-9).

1-(Chloromethyl)-3-methylbenzene (cas: 620-19-9) 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. Alkanes and aryl alkanes may be chlorinated under free radical conditions, with UV light. However, the extent of chlorination is difficult to control.Recommanded Product: 620-19-9

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

Diarylketone Ketoreductase Screen and Synthesis Demonstration to Access mGlu2 Receptor Potentiators was written by Magnus, Nicholas A.;Coffey, D. Scott;DeBaillie, Amy C.;Jones, Chauncey D.;Kaluzna, Iwona A.;Kambourakis, Spiros;Pu, Yangwei J.;Wang, Lin;Wepsiec, James P.. And the article was included in Organic Process Research & Development in 2011.Electric Literature of C8H4ClNO This article mentions the following:

This communication describes proof of concept for an enantioselective enzyme-based synthesis of diarylmethanol (S)-1 to access mGlu2 receptor potentiators. A ketoreductase (KRED) screen was applied to benzophenone 8 to afford chiral diarylmethanol (S)-9, which is a useful intermediate for the preparation of chiral diarylmethanol (S)-1. In addition, a more practical synthesis of benzophenone 8 was demonstrated utilizing Friedel-Crafts acylation and radical bromination chem. In the experiment, the researchers used many compounds, for example, 3-Cyanobenzoyl chloride (cas: 1711-11-1Electric Literature of C8H4ClNO).

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.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.Electric Literature of C8H4ClNO

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

Synthesis and 5-HT-3 receptor binding activity of 5-[¹²⁵I]iodo-2,3-dimethoxy-N-(1-azabicyclo[2.2.2]oct-3-yl)benzamide and its 5-halogen-2-alkoxyl homologs was written by De Paulis, T.;Hewlett, W. A.;Schmidt, D. E.;Mason, N. S.;Trivedi, B. L.;Ebert, M. H.. And the article was included in European Journal of Medicinal Chemistry in 1997.Category: chlorides-buliding-blocks This article mentions the following:

(S)-5-Iodo-2,3-dimethoxy-N-(1-azabicyclo[2.2.2]oct-3-yl)benzamide (MIZAC) was prepared from 5-iodo-2,3-dimethoxybenzoyl chloride and (S)-3-aminoquinuclidine. [¹²⁵I]iodide-stannylation of its corresponding 5-tri-n-butyltin derivative gave [¹²⁵I]-MIZAC at 1800 Ci/mmol. Binding of [¹²⁵I]-MIZAC in rat entorhinal cortex revealed a K_D of 1.37 nM. A series of racemic 2-O-alkyl derivatives of MIZAC were prepared and 5-HT-3 receptor affinities were determined by inhibition of [¹²⁵I]-MIZAC binding. Optimal affinity for the receptor was obtained with small, electron-withdrawing substituents in the aromatic 5-position and with bulky substituents in the 3-position. [¹²⁵I]-MIZAC is a selective radioligand useful for in vitro identification of the 5-HT-3 receptor. QSAR data suggest that potential candidates for SPECT and PET studies might be found in sterically bulky haloalkoxyl 5-chloro homologs of MIZAC. In the experiment, the researchers used many compounds, for example, 5-Chloro-2-methoxybenzoic acid (cas: 3438-16-2Category: chlorides-buliding-blocks).

5-Chloro-2-methoxybenzoic acid (cas: 3438-16-2) 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.Category: chlorides-buliding-blocks

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

Imidazotriazines: Spleen Tyrosine Kinase (Syk) Inhibitors Identified by Free-Energy Perturbation (FEP) was written by Lovering, Frank;Aevazelis, Cristina;Chang, Jeanne;Dehnhardt, Christoph;Fitz, Lori;Han, Seungil;Janz, Kristin;Lee, Julie;Kaila, Neelu;McDonald, Joseph;Moore, William;Moretto, Alessandro;Papaioannou, Nikolaos;Richard, David;Ryan, Mark S.;Wan, Zhao-Kui;Thorarensen, Atli. And the article was included in ChemMedChem in 2016.Name: 3-Cyanobenzoyl chloride This article mentions the following:

There has been significant interest in spleen tyrosine kinase (Syk) owing to its role in a number of disease states, including autoimmunity, inflammation, and cancer. Ongoing therapeutic programs have resulted in several compounds that are now in clin. use. Herein the authors report the optimization of the imidazopyrazine core scaffold of Syk inhibitors through the use of empirical and computational approaches. Free-energy perturbation (FEP) methods with MCPRO+ were undertaken to calculate the relative binding free energies for several alternate scaffolds. FEP was first applied retrospectively to determine if there is any predictive value; this resulted in 12 of 13 transformations being predicted in a directionally correct manner. FEP was then applied in a prospective manner to evaluate 17 potential targets, resulting in the realization of imidazotriazine I, which shows a tenfold improvement in activity relative to the parent compound and no increase in atom count. Optimization of I led to compounds with nanomolar cellular activity. 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. Organochlorines stimulate the central nervous system and cause convulsions, tremor, nausea, and mental confusion. Examples are dichlorodiphenyltrichloroethane (DDT), chlordane, lindane, endosulfan, and dieldrin. 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.Name: 3-Cyanobenzoyl chloride

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

A new class of potent nonpeptide luteinizing hormone-releasing hormone (LHRH) antagonists: design and synthesis of 2-phenylimidazo[1,2-a]pyrimidin-5-ones was written by Sasaki, Satoshi;Imaeda, Toshihiro;Hayase, Yoji;Shimizu, Yoshiaki;Kasai, Shizuo;Cho, Nobuo;Harada, Masataka;Suzuki, Nobuhiro;Furuya, Shuichi;Fujino, Masahiko. And the article was included in Bioorganic & Medicinal Chemistry Letters in 2002.Reference of 697-73-4 This article mentions the following:

The design and synthesis of a new class of nonpeptide LH-releasing hormone (LHRH) receptor antagonists, the 2-phenylimidazo[1,2-a]pyrimidin-5-ones, is reported. Among compounds described in this study, we identified a potent antagonist with nanomolar in vitro functional antagonism. The result might suggest that the heterocyclic 5-6-ring system possessing a pendant Ph group attached to the five-membered ring is the important structural feature for a scaffold of small mol. LHRH antagonists. In the experiment, the researchers used many compounds, for example, 2-(Chloromethyl)-1,3-difluorobenzene (cas: 697-73-4Reference of 697-73-4).

2-(Chloromethyl)-1,3-difluorobenzene (cas: 697-73-4) belongs to organic chlorides. Organic chlorides can be used in production of: PVC, pesticides, chloromethane, teflon, insulators. 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.Reference of 697-73-4

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

Synthesis and in vitro and in vivo biological evaluation of novel derivatives of flexicaulin A as antiproliferative agents was written by Huo, Jun-Feng;Hu, Tian-Xing;Dong, Ya-Long;Zhao, Jin-Zhu;Liu, Xiao-Jie;Li, Lei-Lei;Zhang, Xue-Yan;Li, Yun-Fan;Liu, Hong-Min;Ke, Yu;Wang, Cong. And the article was included in European Journal of Medicinal Chemistry in 2020.Application In Synthesis of 5-Chloro-2-methoxybenzoic acid This article mentions the following:

As our research focuses on anticancer drugs, a series of novel derivatives of flexicaulin A (I), an ent-kaurene diterpene, condensed with an aromatic ring were synthesized, and their antiproliferative activities against four human cancer cell lines (TE-1, EC109, MCF-7, and MGC-803) were evaluated. The activities of most of the new compounds were better than those of I. Compound II exhibited the best activity with an IC50 value reaching 0.13μM against oesophageal cancer cells (EC109 cells). The IC50 values for II in normal cells (GES-1 cells and HUVECs) were 0.52μM and 0.49μM, resp. Subsequent mechanistic investigations found that compound II can inhibit the proliferation of cancer cells and cell cloning. In addition, II could reduce the mitochondrial membrane potential, increase the apoptosis rate, and increase the ROS level in EC109 cells. Moreover, II can upregulate the expression of ROS/JNK pathway-related proteins (p-ASK1, p-MKK4, p-JNK, and p-Cjun (ser63)) and pro-apoptotic proteins (Bax, Bad, and Bim). In vivo experiments showed that II can inhibit tumor growth in nude mice. The mechanism involves an increase in protein expression in the ROS pathway, leading to changes in apoptosis-related proteins. In addition, compound II shows low toxicity. These results indicate that compound II holds promising potential as an antiproliferative agent. In the experiment, the researchers used many compounds, for example, 5-Chloro-2-methoxybenzoic acid (cas: 3438-16-2Application In Synthesis of 5-Chloro-2-methoxybenzoic acid).

5-Chloro-2-methoxybenzoic acid (cas: 3438-16-2) 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.Application In Synthesis of 5-Chloro-2-methoxybenzoic acid

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

Discovery of the First Highly M5-Preferring Muscarinic Acetylcholine Receptor Ligand, an M5 Positive Allosteric Modulator Derived from a Series of 5-Trifluoromethoxy N-Benzyl Isatins was written by Bridges, Thomas M.;Marlo, Joy E.;Niswender, Colleen M.;Jones, Carrie K.;Jadhav, Satyawan B.;Gentry, Patrick R.;Plumley, Hyekyung C.;Weaver, C. David;Conn, P. Jeffrey;Lindsley, Craig W.. And the article was included in Journal of Medicinal Chemistry in 2009.Formula: C7H5ClF2 This article mentions the following:

This report describes the discovery and initial characterization of the first pos. allosteric modulator of muscarinic acetylcholine receptor subtype 5 (mAChR5 or M5). Functional HTS identified VU0119498 (I), which displayed micromolar potencies for potentiation of acetylcholine at M1, M3, and M5 receptors in cell-based Ca²⁺ mobilization assays. Subsequent optimization led to the discovery of VU0238429 (II), which possessed an EC₅₀ of approx. 1.16 μM at M5 with >30-fold selectivity vs. M1 and M3, with no M2 or M4 potentiator activity. In the experiment, the researchers used many compounds, for example, 2-(Chloromethyl)-1,3-difluorobenzene (cas: 697-73-4Formula: C7H5ClF2).

2-(Chloromethyl)-1,3-difluorobenzene (cas: 697-73-4) belongs to organic chlorides. Organic chlorides can be used in production of: PVC, pesticides, chloromethane, teflon, insulators. 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.Formula: C7H5ClF2

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

Friedel-Crafts Acylation of Chromium-Carbene-Complex-Derived Ketenes was written by Bueno, Ana B.;Moser, William H.;Hegedus, Louis S.. And the article was included in Journal of Organic Chemistry in 1998.Recommanded Product: 6834-42-0 This article mentions the following:

Photolysis of Cr alkoxycarbene complexes containing electron-rich aromatic systems on either the O or C group of the carbene C resulted in intramol. Friedel-Crafts acylation of the arene. For example, photolysis of (OC)₅Cr:CMe(OCH₂C₆H₄OMe-3) and 1 equivalent ZnCl₂ in CH₂Cl₂/Et₂O for 40 h gave 69% I. The carbene complexes were prepared from (OC)₅Cr:CR(ONMe₄) (R = Me, cyclopropyl, Ph) and R’OH (R’ = CH₂C₆H₄OMe-3, CH₂C₆H₄OH-3, CH₂C₆H₃(OMe)₂-3,4, CH₂CH₂C₆H₄OMe-3, CH₂Ph, 2-furylmethyl) in the presence of pivaloyl chloride or acetyl bromide in CH₂Cl₂. 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. 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).Recommanded Product: 6834-42-0

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

A small molecule inhibitor selective for a variant ATP-binding site of the chaperonin GroEL was written by Chapman, Eli;Farr, George W.;Furtak, Krystyna;Horwich, Arthur L.. And the article was included in Bioorganic & Medicinal Chemistry Letters in 2009.Formula: C9H9ClO2 This article mentions the following:

The chaperonin GroEL is a megadalton-sized mol. machine that plays an essential role in the bacterial cell assisting protein folding to the native state through actions requiring ATP binding and hydrolysis. A combination of medicinal chem. and genetics has been employed to generate an orthogonal pair, a small mol. that selectively inhibits ATPase activity of a GroEL ATP-binding pocket variant. An initial screen of kinase-directed inhibitors identified an active pyrazolo-pyrimidine scaffold that was iteratively modified and screened against a collective of GroEL nucleotide pocket variants to identify a cyclopentyl carboxamide derivative, EC3016, that specifically inhibits ATPase activity and protein folding by the GroEL mutant, I493C, involving a side chain positioned near the base of ATP. This orthogonal pair will enable in vitro studies of the action of ATP in triggering activation of GroEL-mediated protein folding and might enable further studies of GroEL action in vivo. The approach originated for studying kinases by Shokat and his colleagues may thus also be used to study large macromol. machines. In the experiment, the researchers used many compounds, for example, 2-(3-Methoxyphenyl)acetyl chloride (cas: 6834-42-0Formula: C9H9ClO2).

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. Aryl chlorides may be prepared by the Friedel-Crafts halogenation, using chlorine and a Lewis acid catalyst.Formula: C9H9ClO2

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