Month: February 2023

Design, synthesis, structural optimization, SAR, in silico prediction of physicochemical properties and pharmacological evaluation of novel & potent thiazolo[4,5-d]pyrimidine corticotropin releasing factor (CRF) receptor antagonists was written by Islam, Rabiul Md;Teleb, Mohamed;Karageorgos, Vlasios;Sakellaris, Stelios;Papadopoulos, Minas;Pirmettis, Ioannis;Fronczek, Frank R.;Liapakis, George;Fahmy, Hesham. And the article was included in European Journal of Pharmaceutical Sciences in 2022.Reference of 6590-96-1 This article mentions the following:

Corticotropin-releasing factor (CRF) is a 41-amino-acid neuropeptide secreted from the hypothalamus and is the main regulator of the hypothalamus-pituitary-adrenocortical (HPA) axis. CRF is the master hormone which modulates physiol. and behavioral responses to stress. Many disorders including anxiety, depression, addictive disorders and others are related to over activation of the CRF system. This suggests that new mols. which can interfere with CRF binding to its receptors may be potential candidates for neuropsychiatric drugs to treat stress-related disorders. Previously, three series of pyrimidine and fused pyrimidine CRF1 receptor antagonists were synthesized by our group and specific binding assays, competitive binding studies and determination of the ability to antagonize the agonist-stimulated accumulation of cAMP (the second messenger for CRF receptors) were reported. In continuation of our efforts in this direction, in the current manuscript, we report the synthesis & biol. evaluation of a new series of CRF1 receptor antagonists. Seven compounds showed promising binding affinity with the best two compounds (compounds 6 & 43) displaying a superior binding affinity to all of our previous compounds Compounds 6 & 43 have only 4 times and 2 times less binding affinity than the standard CRF antagonist antalarmin, resp. Thus, our two best lead compounds (compound 6 & 43) can be considered potent CRF receptor antagonists with binding affinity of 41.0 & 19.2 nM vs. 9.7 nM for antalarmin. In the experiment, the researchers used many compounds, for example, 2,4-Dichlorophenylisothiocyanate (cas: 6590-96-1Reference of 6590-96-1).

2,4-Dichlorophenylisothiocyanate (cas: 6590-96-1) 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.Reference of 6590-96-1

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

Reactions of 3-R-5-nitropyridines with nucleophiles: Nucleophilic substitution vs conjugate addition was written by Bastrakov, Maxim A.;Nikol’skiy, Vladislav V.;Starosotnikov, Alexey M.;Fedyanin, Ivan V.;Shevelev, Svyatoslav A.;Knyazev, Daniil A.. And the article was included in Tetrahedron in 2019.Related Products of 59237-53-5 This article mentions the following:

A number of 3-R-5-nitropyridines I (R¹ = H, NO₂, Cl, Br, C(O)OMe) were synthesized and their reactions with various types of nucleophiles such as OMe, N₃, furan-2-ylmethylsulfanyl, cyclohexylsulfanyl, etc. were investigated. The reaction outcome depends on the nature of a nucleophile, where, in case of anionic O-, N- and S-nucleophiles, the previously unreported substitution of non-activated nitro group occurred while carbon nucleophiles underwent dearomatization of the pyridine ring with the formation of products of 1,2-I (R¹ = 4-hydroxy-3,5-dimethylphenyl, 2-cyclopropyl-2-oxoethyl, 3,3-dimethyl-2-oxobutyl, 1H-indol-3-yl, etc.) and 1,4-addition II (R² = Me, cyclopropyl, t-Bu, Ph, etc.). In the experiment, the researchers used many compounds, for example, Methyl 6-chloro-5-nitronicotinate (cas: 59237-53-5Related Products of 59237-53-5).

Methyl 6-chloro-5-nitronicotinate (cas: 59237-53-5) 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.Related Products of 59237-53-5

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

Electrode modified with nitrogen-doped graphene quantum dots supported in chitosan for triclocarban monitoring was written by Santana, Edson R.;Martins, Eduardo C.;Spinelli, Almir. And the article was included in Microchemical Journal in 2021.Product Details of 101-20-2 This article mentions the following:

Triclocarban is an antimicrobial agent frequently used in personal care products with potential activity for endocrine disrupting, and hence its monitoring is particularly important. A sensitive anal. tool was developed for electroanal. of triclocarban by modifying a glassy carbon substrate with nitrogen-doped graphene quantum dots immobilized in chitosan. Electron microscopy results showed that the synthesized quantum dots had a diameter of 4.5 nm. The doping with nitrogen in the graphene matrix was confirmed by spectroscopic techniques. Electrochem. techniques showed excellent triclocarban oxidation current responses provided by the modified electrode compared to the bare electrode. The calibration plot for triclocarban was constructed in 0.1 mol L^-1 phosphate buffer (pH 7.0):ethanol (95:5 volume/volume) in the range of 0.05 to 8.0μmol L^-1 with limits of detection and quantification of 17.0 and 57.0 nmol L^-1, resp. The modified electrode was effectively implemented in the quantification of triclocarban in personal care products with recoveries data in the range of 90 to 109%. Furthermore, the modified electrode was applied in the simultaneous determination of triclosan (+0.60 V) and triclocarban (+0.95 V) with limits of detection of 14.0 and 21.0 nmol L^-1, resp. The application was carried out in surface water samples with excellent accuracy indicated by recovery data in the range of 93 to 110%. In the experiment, the researchers used many compounds, for example, 1-(4-Chlorophenyl)-3-(3,4-dichlorophenyl)urea (cas: 101-20-2Product Details of 101-20-2).

1-(4-Chlorophenyl)-3-(3,4-dichlorophenyl)urea (cas: 101-20-2) 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. 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 101-20-2

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

Novel Design of Nonpeptide AVP V₂ Receptor Agonists: Structural Requirements for an Agonist Having 1-(4-Aminobenzoyl)-2,3,4,5-tetrahydro-1H-1-benzazepine as a Template was written by Kondo, Kazumi;Ogawa, Hidenori;Shinohara, Tomoichi;Kurimura, Muneaki;Tanada, Yoshihisa;Kan, Keizo;Yamashita, Hiroshi;Nakamura, Shigeki;Hirano, Takahiro;Yamamura, Yoshitaka;Mori, Toyoki;Tominaga, Michiaki;Itai, Akiko. And the article was included in Journal of Medicinal Chemistry in 2000.COA of Formula: C8H6ClFO2 This article mentions the following:

The discovery of a series of nonpeptide arginine vasopressin V₂ receptor agonists is described. After identifying the aniline derivative (I) as our lead compound from the metabolites of a previously studied compound that showed antidiuretic activity by po administration to Brattleboro rats, improvements in the in vitro potency involving evaluations of the structural requirements for agonist action and optimizing the structure of the benzoyl moiety have been intensively undertaken. These studies led to a series of compounds e.g. (II) that show potent agonist activity for the V₂ receptor. In the experiment, the researchers used many compounds, for example, Methyl 2-chloro-4-fluorobenzoate (cas: 85953-29-3COA of Formula: C8H6ClFO2).

Methyl 2-chloro-4-fluorobenzoate (cas: 85953-29-3) 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.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.COA of Formula: C8H6ClFO2

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

In-situ growth of nitrogen-doped carbonized polymer dots on black phosphorus for electrochemical DNA biosensor of Escherichia coli O157: H7 was written by Shi, Fan;Wang, Baoli;Yan, Lijun;Wang, Bei;Niu, Yanyan;Wang, Lisi;Sun, Wei. And the article was included in Bioelectrochemistry in 2022.Electric Literature of C16H18ClN3S This article mentions the following:

Sensitive and accurate detection technol. for pathogenic bacteria is of great social and economic significance in foodborne disease and food safety. In this paper, a novel portable electrochem. DNA biosensor for the detection of specific DNA sequence of Escherichia coli (E. coli) O157: H7 was constructed. To enhance the performance of the electrochem. sensor, a functionalized nitrogen-doped carbonized polymer dots in-situ grown on few-layer black phosphorus (N-CPDs@FLBP) was synthesized and used as the modifier on the surface of screen-printed electrode. Combining gold nanoparticles as immobilization matrix and methylene blue as electrochem. indicator, the anal. performance of this electrochem. DNA biosensor was evaluated using standard complementary ssDNA sequence in the linear concentration range from 1.0 x 10-19 to 1.0 x 10-6 mol/L with a low detection limit as 3.33 x 10-20 mol/L (3 σ). Furthermore, the portable electrochem. DNA biosensor was proposed based on polymerase chain reaction amplification for the detection of the E. coli O157: H7 genomic DNA from chicken meat, which verified the feasibility for practical samples detection. The research has great theor. and practical significance for the development of electrochem. biosensor of pathogenic bacteria. In the experiment, the researchers used many compounds, for example, 3,7-Bis(dimethylamino)phenothiazin-5-ium chloride (cas: 61-73-4Electric Literature of C16H18ClN3S).

3,7-Bis(dimethylamino)phenothiazin-5-ium chloride (cas: 61-73-4) 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. 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).Electric Literature of C16H18ClN3S

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

Investigations on cytotoxicity and anti-inflammatory potency of licofelone derivatives was written by Liu, Wukun;Zhou, Jinpei;Bensdorf, Kerstin;Zhang, Huibin;Liu, Haoran;Wang, Yubin;Qian, Hai;Zhang, Yanchun;Wellner, Anja;Rubner, Gerhard;Huang, Wenlong;Guo, Cancheng;Gust, Ronald. And the article was included in European Journal of Medicinal Chemistry in 2011.Synthetic Route of C7H4ClNO4 This article mentions the following:

A series of C(5)-substituted licofelone ([2,2-dimethyl-6-(4-chlorophenyl)-7-phenyl-2,3-dihydro-1H-pyrrolizin-5-yl]acetic acid) derivatives were developed by a parallel synthesis approach and investigated for cytotoxicity against MCF-7 and MDA-MB-231 cells as well as for anti-inflammatory potency in vitro and in vivo. Dependent on the substituent, the compounds showed high selectivity for MCF-7 cells. Especially benzoyloxyacetyl derivatives were inactive at the MDA-MB-231 cell line and as active as 5-FU at MCF-7 cells. The acetyl, formyloxyacetyl,, acetoxyacetyl, and propionyloxyacetyl derivatives showed growth inhibition at both cell lines, comparable with cisplatin. Modifications significantly reduced the inhibitory potency at COX-1 and COX-2 in vitro and in the xylene-induced ear swelling assay in mice. Only the acetyl derivative was equipotent to licofelone, ibuprofen and celecoxib in vivo. In the experiment, the researchers used many compounds, for example, 3-Chloro-5-nitrobenzoic acid (cas: 34662-36-7Synthetic Route of C7H4ClNO4).

3-Chloro-5-nitrobenzoic acid (cas: 34662-36-7) 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.Synthetic Route of C7H4ClNO4

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

Synthesis of α-haloalkyl esters from α-arylthioalkyl esters was written by Benneche, Tore;Strande, Per;Wiggen, Unni. And the article was included in Acta Chemica Scandinavica in 1989.HPLC of Formula: 5335-05-7 This article mentions the following:

Ester R¹CO₂CHR²SR³ (R¹ = Me, Me₃C, PhCH₂, MeO₂CCH₂CH₂, MeCOCH₂CH₂, Ph, HCOC₆H₄, thienyl; R² = H, Me; R³ = ClC₆H₄, Ph) were treated with SO₂Cl₂ and Br to give R¹CO₂CHR²X (X = Cl, Br). In the experiment, the researchers used many compounds, for example, Chloromethyl benzoate (cas: 5335-05-7HPLC of Formula: 5335-05-7).

Chloromethyl benzoate (cas: 5335-05-7) 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.HPLC of Formula: 5335-05-7

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

The rate of N-demethylation of N,N-dimethylanilines and N-methylanilines by rat liver microsomes is related to their first ionization potential, their lipophilicity and to a steric bulk factor was written by Galliani, G.;Nali, M.;Rindone, B.;Tollari, S.;Rocchetti, M.;Salmona, M.. And the article was included in Xenobiotica in 1986.Recommanded Product: 2-Chloro-N,N-dimethylaniline This article mentions the following:

The N-demethylation of a series of 12 p-substituted N,N-dimethylanilines [e.g., 4-fluoro-N,N-dimethylaniline (I) [403-46-3]], 9 m-substituted N,N-dimethylanilines, 1 o-substituted N,N-dimethylaniline, and 4 p-substituted N-methylanilines by rat liver microsomes was studied. For each compound, the apparent V_max and K_m values were determined and these parameters were correlated with their electronic, lipophilicity, and steric bulk parameters reported in the literature. Multi-parameter linear regression anal. showed a good correlation between log V_max and these parameters for the p-substituted N,N-dimethylanilines. A lower degree of correlation was observed with the m-substituted N,N-dimethylanilines. In the experiment, the researchers used many compounds, for example, 2-Chloro-N,N-dimethylaniline (cas: 698-01-1Recommanded Product: 2-Chloro-N,N-dimethylaniline).

2-Chloro-N,N-dimethylaniline (cas: 698-01-1) 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 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: 2-Chloro-N,N-dimethylaniline

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

Specific substituent effects in the dehalogenation of halobenzene derivatives by the gaseous Broensted acid CH₅⁺ was written by Leung, Hei-Wun;Harrison, Alex G.. And the article was included in Journal of the American Chemical Society in 1980.Synthetic Route of C8H10ClN This article mentions the following:

In the methane chem. ionization mass spectra of chlorobenzene derivatives containing an electron-donating substituent meta to the chlorine, the protonated mol. ions, MH⁺, formed in the initial protonation reaction undergo extensive loss of HCl to form substituted Ph cations. This dehalogenation reaction is not observed when the substituent is ortho or para to the chlorine (except for the p-dimethylamino substituent) nor for electron-withdrawing substituents. For fluorobenzene derivatives loss of HF from MH⁺ is observed when the substituent is meta or para to the fluorine but not when it is ortho to the fluorine. The origin of these unusual substituent effects is discussed and it is concluded that the substituents act to alter the carbon-halogen bond dipole. This bond dipole in turn exerts a kinetic effect which either alters the activation energy for elimination of the neutral hydrogen halide from MH⁺ or, more likely, influences the extent of protonation at the halogen through localized ion-bond dipole interactions in the collision complex. In the experiment, the researchers used many compounds, for example, 2-Chloro-N,N-dimethylaniline (cas: 698-01-1Synthetic Route of C8H10ClN).

2-Chloro-N,N-dimethylaniline (cas: 698-01-1) 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 readily react with amines to give substituted amines. Alkyl chlorides are substituted by softer halides such as the iodide in the Finkelstein reaction.Synthetic Route of C8H10ClN

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

Synthesis of macrosporin and related 9,10-anthraquinones by biomimetic polyketide aromatization and cyclization of 6-benzylresorcylates was written by Cordes, Jens;Barrett, Anthony G. M.. And the article was included in European Journal of Organic Chemistry in 2013.Recommanded Product: 2-(3-Methoxyphenyl)acetyl chloride This article mentions the following:

The synthesis of an array of 1-hydroxy-3-methoxy-9,10-anthraquinones by initial preparation of 6-benzylresorcylates from oxo-dioxinone precursors and their subsequent conversion to anthrones by cyclization and oxidn was described. The resorcylates were obtained by an improved 2-step procedure from 6-(4-allyloxy-2,4-dioxobutyl)-2,2-dimethyl-2,4-dihydro-1,3-dioxin-4-one and benzeneacetyl chlorides. These methods were applied in a 7-step synthesis of the fungal natural product macrosporin. In the experiment, the researchers used many compounds, for example, 2-(3-Methoxyphenyl)acetyl chloride (cas: 6834-42-0Recommanded Product: 2-(3-Methoxyphenyl)acetyl chloride).

2-(3-Methoxyphenyl)acetyl chloride (cas: 6834-42-0) 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.Recommanded Product: 2-(3-Methoxyphenyl)acetyl chloride

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