Category: 638-07-3

Synthesis and characterization for pharmaceutical models from Co(II), Ni(II) and Cu(II)-thiophene complexes; apoptosis, various theoretical studies and pharmacophore modeling was written by Abumelha, Hana M.;Alkhatib, Fatmah;Alzahrani, Seraj;Abualnaja, Matokah;Alsaigh, Sohaib;Alfaifi, Mohammad Y.;Althagafi, Ismail;El-Metwaly, Nashwa. And the article was included in Journal of Molecular Liquids in 2021.Application of 638-07-3 The following contents are mentioned in the article:

New Co(II), Ni(II) and Cu(II) complexes were prepared from thiophene derivative and then characterized to elucidate their chem. formulas. IR-spectral data suggested a monobasic tridentate binding mode for the ligand towards the metal ions within mono-nuclear complexes. Ligand field transitions as well as magnetic susceptibility, orient strongly for square-planer geometry with Ni(II) and Cu(II) complexes, while octahedral geometry for Co(II) complex. Mass spectroscopy and TGA were performed for complexes to assess on their mol. formulas and the mol. ion peak is attributing to dehydrating complex (M⁺-nH₂O). TEM, EDX and XRD were carried out to indicate morphol., crystallinity and chem. composition of tested complexes. The crystal data estimated, reflect nanometer sizes of studied complexes. DFT method was utilized to obtain optimized structures under 6-31G and LANL2DZ basis sets. Hirshfeld surface properties were estimated for 3D crystal models of complexes, to put view about the contact strength within crystal packing. 2D-fingerprint plots for elemental contribution, clarify the effective contribution of O and H atoms in surface contact between crystals. Cu (II) complex showed greatest potent cytotoxic profile against MCF-7, HepG2 and PC-3 carcinoma cell lines, by IC₅₀s 2.2, 2.6 and 2.1 μg, resp. High killing rate for tumor cells was observed with an early apoptotic pathway under treatment with all compounds Also, Cu(II) complex stimulates necrosis killing effect on prostate (PC-3) and breast (MCF-7) cancer cells. Ligand-based pharmacophore methodol., was performed to indicate the most suitable contact sites in compounds towards 1z8l & 3rcd proteins. The search hits several compounds reach 3,732,214 hits and a closer 3D-fingerprint drug model was obtained. MOE docking was performed for most compounds to explain all interaction features through such simulation process. Best docking scores were recorded with HL-3rcd, Co(II)complex-1z8l, Co(II) complex-3rcd and Cu(II) complex-3rcd by values of -60,628, -6.1447, -6.055 and -6.0626, resp. Amino acid residues that contributing in allosteric binding were clearly categorized. Finally in-silico approach confirms the superiority of Co(II)-L, Cu(II)-L and free thiophene derivative in controlling human cancer cells, which agree with in vitro results. This study involved multiple reactions and reactants, such as Ethyl 4-chloro-3-oxobutanoate (cas: 638-07-3Application of 638-07-3).

Ethyl 4-chloro-3-oxobutanoate (cas: 638-07-3) 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.Application of 638-07-3

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

Novel N-(4-thiocyanatophenyl)-1H-1,2,3-triazole-4-carboxamides exhibit selective cytotoxic activity at nanomolar doses towards human leukemic T-cells was written by Pokhodylo, Nazariy;Finiuk, Nataliya;Klyuchivska, Olha;Tupychak, Mykola A.;Matiychuk, Vasyl;Goreshnik, Evgeny;Stoika, Rostyslav. And the article was included in European Journal of Medicinal Chemistry in 2022.Product Details of 638-07-3 The following contents are mentioned in the article:

The title compounds I (R¹ = Me, Pr, CH₂OMe; R² = 2-methyl-5-chlorophenyl, 3-methoxyphenyl, 4-isopropylphenyl, etc.) were synthesized via the condensation of variety of 1H-1,2,3-triazole-4-carboxylic acids II and 4-thiocyanatoaniline using CDI as amide coupling reagents. According to computer-aided calculations, all synthesized compounds are expected to have acceptable ADME profile for drug design. The antiproliferative potency of derivatives was evaluated towards different cell lines. The specific activity of four N-(4-thiocyanatophenyl)-1H-1,2,3-triazole-4-carboxamides I (R¹ = Me, R² = 4-isopropylphenyl; R¹ = Me, R² = 3,4-dimethylphenyl; R¹ = Me, R² = 2-chloro-5-methylphenyl; R¹ = Pr, R² = phenyl) (4a, 4b, 4c, 4f) was comparable to doxorubicin (GI₅₀ = 0.65μM) at nanomolar level against Jurkat cells in the range of GI₅₀ 0.63-0.69μM. According to the results of toxicity studies of the compounds for HEK293, HaCaT, Balb/c 3T3 cells, compound I (R¹ = Me, R² = 4-isopropylphenyl) was selected for further studies as a biocompatible agent with promising anticancer activity in the NCI60 cell lines. A remarkable antiproliferative activity of compound I (R¹ = Me, R² = 4-isopropylphenyl) towards leukemia cell lines (SR, MOLT-4; CCRF-CEM; HL-60(TB); K-562; RPMI-8226) was observed and high cytotoxicity towards the CAKI-1 (kidney cancer), LOX IMVI (melanoma) and UO-31 (renal cancer) cells lines was detected. Compound I (R¹ = Me, R² = 4-isopropylphenyl) inhibits LOX IMVI cells growth at a GI₅₀ value of 0.15μM. Compare anal. to indicate potential mechanisms of action of novel compound, as well as in silico SwissTargetPrediction and SwissSimilarity were performed. Compound I (R¹ = Me, R² = 4-isopropylphenyl) induced morphol. changes (apoptotic bodies, membrane blebbing, chromatin condensation), and DNA fragmentation in Jurkat T-cells. It reduced mitochondrial membrane potential and induced DNA damage in Jurkat cells without binding and/or intercalation to DNA mol. This study involved multiple reactions and reactants, such as Ethyl 4-chloro-3-oxobutanoate (cas: 638-07-3Product Details of 638-07-3).

Ethyl 4-chloro-3-oxobutanoate (cas: 638-07-3) 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.Product Details of 638-07-3

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

Synthesis, anticancer and antimicrobial evaluation of new benzofuran based derivatives: PI3K inhibition, quorum sensing and molecular modeling study was written by El-Khouly, Omar A.;Henen, Morkos A.;El-Sayed, Magda A.-A.;Shabaan, Mona I.;El-Messery, Shahenda M.. And the article was included in Bioorganic & Medicinal Chemistry in 2021.Reference of 638-07-3 The following contents are mentioned in the article:

A new series of benzofuran derivatives , e.g., I [R = CH₂CO₂Et, Ph, 4-MeC₆H₄, etc.] and II [R¹ = Ph, 4-ClC₆H₄, 3-MeC₆H₄, etc.], were designed and synthesized. All synthesized compounds were evaluated for anticancer activity against hepatocellular carcinoma (HePG2), mammary gland breast cancer (MCF-7), epithelioid carcinoma cervix cancer (Hela) and human prostate cancer (PC3). Compounds I [R = Me, CH₂CO₂Et, Ph] showed the highest activity toward the four cell lines with an IC₅₀ range of 8.49-16.72μM, 6.55-13.14μM and 4-8.99μM resp. in comparison to DOX (4.17-8.87μM). Phosphatidylinositol-3-kinases (PI3K) inhibition was evaluated against the most active anticancer compounds I [R = Me, CH₂CO₂Et, Ph]. Compounds I [R = Me, CH₂CO₂Et, Ph] showed good inhibitory activity against PI3Kα with IC₅₀ values 4.1, 7.8, and 20.5μM, resp. in comparison to 6.18μM for the reference compound LY294002. In addition, activity of compounds I [R = CH₂CO₂Et, Ph] on cell cycle arrest and induction of apoptosis in different phases of MCF-7 cells were assessed and detected pre-G1 apoptosis and cell growth arrest at G2/M. Also, both extrinsic and intrinsic apoptosis in MCF-7 cells induced by compounds I [R = CH₂CO₂Et, Ph]. Mol. docking, binding affinity surface mapping and contact preference of the synthesized compounds I [R = Me, CH₂CO₂Et, Ph] against PI3K were estimated and studied computationally using mol. operating environment software (MOE) and showed good interaction with essential residues for inhibition Val851. In addition, antimicrobial activity was evaluated against gram pos. isolates as Staphylococcus aureus and Bacillus cereus, gram neg. isolate as Escherichia coli, Pseudomonas aeruginosa and antifungal potential against Candida albicans. Compound II [R¹ = 3-MeC₆H₄] showed outstanding anti Gram-pos. activity with MIC values 8 and 256μg/mL in Staphylococcus aureus and Bacillus cereus resp. Also, compounds II [R¹ = 4-MeC₆H₄, 3-MeC₆H₄, 4-NO₂C₆H₄] and 2-(4-methoxyphenyl)-2-oxoethyl (E)-2-(1-(benzofuran-2-yl)ethylidene)hydrazine-1-carbodithioate showed good anti Gram-neg. activity with MIC value 512μg/mL for all compounds In addition, the state-of-art quorum sensing (QS) inhibiting effects were detected using Chromobacterium violaceum and compounds I [R = Me, CH₂CO₂Et, 4-MeC₆H₄, benzofuran-2-yl] and (E)-1-(benzofuran-2-yl)-3-(dimethylamino)prop-2-en-1-one showed good QS inhibition (3, 3, 5, 2, and 7 mm). This study involved multiple reactions and reactants, such as Ethyl 4-chloro-3-oxobutanoate (cas: 638-07-3Reference of 638-07-3).

Ethyl 4-chloro-3-oxobutanoate (cas: 638-07-3) 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.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.Reference of 638-07-3

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

Molecular modeling and docking studies of new antimicrobial antipyrine-thiazole hybrids was written by Abu-Melha, Sraa. And the article was included in Arabian Journal of Chemistry in 2022.Recommanded Product: Ethyl 4-chloro-3-oxobutanoate The following contents are mentioned in the article:

A series of new antipyrine incorporated thiazole derivatives I (R = CHO, {2-[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]hydrazin-1-ylidene}methyl, [2-(4-oxo-4,5-dihydro-1,3-thiazol-2-yl)hydrazin-1-ylidene]methyl, [2-(5-acetyl-4-methyl-1,3-thiazol-2-yl)hydrazin-1-ylidene]methyl, etc.) having phenoxyacetamide moiety as a link bridge was synthesized. The synthetic strategy involves condensation of the precursor N-(4-antipyrinyl)-2-(4-formylphenoxy)acetamide with thiosemicarbazide followed by heterocyclization of the produced thiosemicarbazone with various α-halogenated carbonyl compounds (namely; 4-chlorophenacyl bromide, Et bromoacetate, 3-chloroacetylacetone and Et 4-chloroacetoacetate). Moreover, the quantum chem. calculations at DFT/B3LYP level were used to determine the HOMO-LUMO energies and Fukui’s indexes toward nucleophilic, electrophilic and radical attacks. The investigated compounds were arranged due to HOMO-LUMO energy gap as following I ((2-[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]hydrazin-1-ylidene)methyl[2-(4-oxo-4,5-dihydro-1,3-thiazol-2-yl)hydrazin-1-ylidene]methyl[2-(5-acetyl-4-methyl-4,5-dihydro-1,3-thiazol-2-yl)hydrazin-1-ylidene]methyl[(carbamothioylamino)imino]methyl(CHO){2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazin-1-ylidene}methyl({2-[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]hydrazin-1-ylidene}methyl). The synthesized antipyrinyl-thiazole hybrids were screened to evaluate their antibacterial and antifungal efficacies. Using Chloramphenicol as reference material, the synthesized antipyrinyl-thiazole hybrids were revealed a remarkable activity against S. aureus than B. subtilis, as example for Gram’s pos. strains. The antipyrine-thiazole compounds I (R = [2-(5-acetyl-4-methyl-1,3-thiazol-2-yl)hydrazin-1-ylidene]methy, 4-(4-chlorophenyl)-1,3-thiazol-2-yl, (5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-4,5-dihydro-1,3-thiazol-2-yl and Et 2-(4-methyl-1,3-thiazol-5-yl)acetate) exhibited significant MIC values. However, the antipyrine-thiazole hybrid displayed reputable activities against Gram’s neg. strains S. typhimurium and E. coli, resp., in comparison with Cephalothin. Likewise, the compounds I (R = {[2-(5-acetyl-4-methyl-1,3-thiazol-2-yl)hydrazin-1-ylidene]methyl, 2-[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]hydrazin-1-ylidene}methyl) were demonstrated respectable antifungal efficacy toward C. albicans in contrast to cycloheximide grade. The theor. mol. docking studies were applied to simulate reactivity of the synthesized antipyrine-thiazole hybrids against contrasting binding sites for both of Staphylococcus aureus ”Homo sapiens” (pdb: 3HUN) protein and E.coli ”Homo sapiens” (PDB: 2EXB) protein. The theor. and practical antibacterial and antifungal activities result in this work designated a proper agreement. This study involved multiple reactions and reactants, such as Ethyl 4-chloro-3-oxobutanoate (cas: 638-07-3Recommanded Product: Ethyl 4-chloro-3-oxobutanoate).

Ethyl 4-chloro-3-oxobutanoate (cas: 638-07-3) belongs to organic chlorides. Organic chlorides can be used in production of: PVC, pesticides, chloromethane, teflon, insulators. Aryl chlorides may be prepared by the Friedel-Crafts halogenation, using chlorine and a Lewis acid catalyst.Recommanded Product: Ethyl 4-chloro-3-oxobutanoate

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

Synthesis, Biological Evaluation, 2D-QSAR, and Molecular Simulation Studies of Dihydropyrimidinone Derivatives as Alkaline Phosphatase Inhibitors was written by Altaf, Reem;Nadeem, Humaira;Iqbal, Muhammad Nasir;Ilyas, Umair;Ashraf, Zaman;Imran, Muhammad;Muhammad, Syed Aun. And the article was included in ACS Omega in 2022.Category: chlorides-buliding-blocks The following contents are mentioned in the article:

The presence of alk. phosphatases has been observed in several species and has been known to play a crucial role in various biol. functions. Higher expressions of alk. phosphatase have been found in several multifactorial disorders and cancer patients, which has led it to be an interesting target for drug discovery. A strong structural similarity exists between intestinal alk. phosphatases (IAPs) and tissue-nonspecific alk. phosphatases (TNAPs), which has led to the discovery of only a few selective inhibitors. Therefore, a series of 22 derivatives of 6-(chloromethyl)-4-(4-hydroxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate and Et 6-(chloromethyl)-4-(2-hydroxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate were synthesized to evaluate the anticancer potential of these compounds against breast cancer. The compounds were characterized through spectral and elemental analyses. The inhibitory effect of dihydropyrimidinone derivatives on alk. phosphatases was evaluated using the calf alk. phosphatase assay. The antioxidant activity of these compounds was performed to study the radical scavenging effect. In silico mol. docking and mol. dynamic simulations were performed to elucidate the binding mode of active compounds Moreover, the two-dimensional qual.-structure-activity relationship (2D-QSAR) was performed to study the structural requirements for enzyme inhibition. The calf alk. phosphatase inhibitory assay revealed significant inhibition of the enzyme by compound I with IC₅₀ 1.27μM at 0.1 mM concentration as compared to standard KH₂PO₄ having IC₅₀ 2.80μM. Several compounds also showed very good inhibition with IC₅₀ values of 2.502, 2.943, and 2.132μM, resp., at the same concentration The antioxidant assay revealed efficient radical scavenging activity of three compounds at 100μg/mL with IC₅₀ values of 0.48, 0.61, and 0.75μg/mL, resp. The mol. docking and simulation studies revealed efficient binding of active compounds in the active binding site of the target enzyme. The final QSAR equation revealed good predictivity and statistical validation having R² = 0.958 and Q² = 0.903, resp., for the generated model. The compound I showed the highest inhibitory activity with stable binding modes acting as a future lead for identifying alk. phosphatase inhibitors. The mol. simulations suggested the stable binding of this compound, and the QSAR studies revealed the importance of autocorrelated descriptors in the inhibition of alk. phosphatase. The investigated compounds may serve as potential pharmacophores for potent and selective alk. phosphatase inhibitors. We intend to further investigate the biol. activities of these compounds as alk. phosphatase inhibitors. This study involved multiple reactions and reactants, such as Ethyl 4-chloro-3-oxobutanoate (cas: 638-07-3Category: chlorides-buliding-blocks).

Ethyl 4-chloro-3-oxobutanoate (cas: 638-07-3) 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.Category: chlorides-buliding-blocks

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

Discovery of boronic acid-based potent activators of tumor pyruvate kinase M2 and development of gastroretentive nanoformulation for oral dosing was written by Patle, Rajkumar;Shinde, Shital;Patel, Sagarkumar;Maheshwari, Rahul;Jariyal, Heena;Srivastava, Akshay;Chauhan, Neelam;Globisch, Christoph;Jain, Alok;Tekade, Rakesh K.;Shard, Amit. And the article was included in Bioorganic & Medicinal Chemistry Letters in 2021.Recommanded Product: 638-07-3 The following contents are mentioned in the article:

Several studies have established that cancer cells explicitly over-express the less active isoform of pyruvate kinase M2 (PKM2) is critical for tumorigenesis. The activation of PKM2 towards tetramer formation may increase affinity towards phosphoenolpyruvate (PEP) and avoidance of the Warburg effect. Herein, we describe the design, synthesis, and development of boronic acid-based mols. as activators of PKM2. The designed mols. were inspired by existing anticancer scaffolds and several fragments were assembled in the derivatives I [R¹ = H, F, methoxy, Cl; R² = H; R³ = N(CH₃)₂, Phenyl; R⁴= H] were synthesized using a multi-step synthetic strategy in 55-70% yields, starting from cheap and readily available materials. The compounds were selectively cytotoxic to kill the cancerous cells at 80 nM, while they were non-toxic to the normal cells. The kinetic studies established the compounds as novel activators of PKM2 and I [R¹ = Cl; R² = H; R³ = N(CH₃)₂; R⁴= H] emerged as the most potent derivative I [R¹ = Cl; R² = H; R³ = N(CH₃)₂; R⁴= H] was further evaluated using various in silico tools to understand the mol. mechanism of tetramer formation. Docking studies revealed that I [R¹ = Cl; R² = H; R³ = N(CH₃)₂; R⁴= H] binds to the PKM2 dimer at the dimeric interface. Further to ascertain the binding site and mechanism of action, rigorous MD (mol. dynamics) simulations were undertaken, which led to the conclusion that I [R¹ = Cl; R² = H; R³ = N(CH₃)₂; R⁴= H] stabilizes the center of the dimeric interface that possibly promotes tetramer formation. We further planned to make a tablet of the developed mol. for oral delivery, but it was seriously impeded owing to poor aqueous solubility of I [R¹ = Cl; R² = H; R³ = N(CH₃)₂; R⁴= H]. To improve aqueous solubility and retain I [R¹ = Cl; R² = H; R³ = N(CH₃)₂; R⁴= H] at the lower gastrointestinal tract, thiolated chitosan-based nanoparticles (TCNPs) were prepared and further developed as tablet dosage form to retain anticancer potency in the excised goat colon. Our findings may provide a valuable pharmacol. mechanism for understanding metabolic underpinnings that may aid in the clin. development of new anticancer agents targeting PKM2. This study involved multiple reactions and reactants, such as Ethyl 4-chloro-3-oxobutanoate (cas: 638-07-3Recommanded Product: 638-07-3).

Ethyl 4-chloro-3-oxobutanoate (cas: 638-07-3) 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. 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.Recommanded Product: 638-07-3

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

Synthesis, ¹⁸F-radiolabeling and apoptosis inducing studies of novel 4,7-disubstituted coumarins was written by Goud, Nerella Sridhar;Kanth Makani, Venkata Krishna;Pranay, Jakkula;Alvala, Ravi;Qureshi, Insaf A.;Kumar, Pardeep;Bharath, Rose Dawn;Nagaraj, Chandana;Yerramsetty, Suresh;Pal-Bhadra, Manika;Alvala, Mallika. And the article was included in Bioorganic Chemistry in 2020.COA of Formula: C6H9ClO3 The following contents are mentioned in the article:

A new series of 4,7-disubstituted coumarin derivatives I [R¹ = morpholin-4-yl, 1,2,3,4-tetrahydroisoquinolin-2-yl, 4-methylpiperidin-1-yl, etc.; R² = cyanomethyl, (4-methoxyphenyl)methyl, (4-bromophenyl)methyl, etc.] have been synthesized as galectin-1 targeting apoptosis inducing agents and evaluated for their in vitro cytotoxic potentials against a panel of selected human cancer cell lines namely, Brest (MCF7), Ovarian (SKOV3), Prostate (PC-3 & DU145) and normal embryonic kidney (HEK293T) cells, using MTT assay. Most of the compounds I exhibited potent growth inhibitory action against the treated cancer cell lines with an IC₅₀ range of 10-30μM. Compound I [R¹ = 4-ethoxycarbonyl-piperidin-1-yl; R² = (4-nitrophenyl)methyl (A)] exhibited a significant growth inhibition against prostate cancer (PC-3 & DU145) cell lines with an IC₅₀ value of 7.45 ± 0.03μM, 8.95 ± 0.17μM resp. Further, the target compound A was radiolabeled with fluorine-18 [¹⁸F] to be used as a novel PET radiotracer for imaging of tumors via targeting galectin-1, using appropriate reaction conditions in the GE Tracer-lab FX2N synthesis module. The purification of the [¹⁸F] radiolabeled compound II was successfully achieved with 60% ethanol. The radiochem. purity was >85% and residual solvent limit of DMF was 65 ± 3 ppm as analyzed by HPLC, TLC & GC anal. methods. The apoptosis studies confirm the inhibition of cell proliferation with morphol. changes like cell shrinkage, blebbing and cell wall deformation, increasing the ROS levels, and loss of mitochondrial membrane potential by Acridine orange/Ethidium bromide staining, Hoechst-33342 staining, H₂DCFDA staining, annexin V-FITC/PI, and JC-1 staining methods. In flow cytometric anal., the sub-G1 phase of the cell cycle is selectively arrested in a dose-dependent manner. In Gal-1 ELISA studies, compound A efficiently reduced the levels of Gal-1 protein in dose-dependent manner with an IC₅₀ value of 100μM. The binding constant (K_a) of A with Gal-1 was observed as 1.3 × 10⁴ M^-1 by fluorescence spectroscopy. The mol. docking studies clearly showed possible interactions and the pharmacokinetic (ADMET) properties of compound A with Gal-1. The novel 4,7-disubstituted coumarins I could be a potential cytotoxic and PET imaging agents via Gal-1. This study involved multiple reactions and reactants, such as Ethyl 4-chloro-3-oxobutanoate (cas: 638-07-3COA of Formula: C6H9ClO3).

Ethyl 4-chloro-3-oxobutanoate (cas: 638-07-3) 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. 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).COA of Formula: C6H9ClO3

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