Tag: 100-200

Discovery of a Pyrimidinedione Derivative as a Potent and Orally Bioavailable Axl Inhibitor was written by Zhang, Hefeng;Peng, Xia;Dai, Yang;Shao, Jingwei;Ji, Yinchun;Sun, Yiming;Liu, Bo;Cheng, Xu;Ai, Jing;Duan, Wenhu. And the article was included in Journal of Medicinal Chemistry in 2021.Recommanded Product: Ethyl 4-chloro-3-oxobutanoate The following contents are mentioned in the article:

The receptor tyrosine kinase Axl plays important roles in promoting cancer progression, metastasis, and drug resistance and has been identified as a promising target for anticancer therapeutics. We used mol. modeling-assisted structural optimization starting with the low micromolar potency compound I to discover compound II, a highly potent and orally bioavailable Axl inhibitor. Selectivity profiling showed that II could inhibit the well-known oncogenic kinase Met with equal potency to its inhibition of Axl superfamily kinases. Compound II significantly inhibited cellular Axl and Met signaling, suppressed Axl- and Met-driven cell proliferation, and restrained Gas6/Axl-mediated cancer cell migration or invasion. Furthermore, II exhibited significant antitumor efficacy in Axl-driven and Met-driven tumor xenograft models, causing tumor stasis or regression at well-tolerated doses. All these favorable data make II a promising therapeutic candidate for cancer treatment. 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. 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. 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: Ethyl 4-chloro-3-oxobutanoate

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

An Efficient and Versatile Deep Eutectic Solvent-Mediated Green Method for the Synthesis of Functionalized Coumarins was written by Rather, Ishfaq Ahmad;Ali, Rashid. And the article was included in ACS Omega in 2022.Reference of 638-07-3 The following contents are mentioned in the article:

Herein, we report a green and efficient synthetic route for the construction of diverse functionalized coumarins in good-to-excellent yields (60-98%) via the Pechmann condensation. The optimized synthetic route involves a biodegradable, reusable, and inexpensive deep eutectic solvent (DES) of choline chloride and L-(+)-tartaric acid in a ratio of 1:2 at 110°C. Interestingly, phloroglucinol and Et acetoacetate, upon reaction, furnished the functionalized coumarin (I) in 98% yield within 10 min. On the other front, the same DES at relatively lower reaction temperature (90°C) was found to provide the bis-coumarins in decent yields (81-97%) within 20-45 min. Moreover, this particular method was found to be quite effective for large-scale coumarin synthesis without noteworthy reduction in the yields of the desired products. Noticeably, in this versatile approach, the DES plays a dual role as solvent as well as catalyst, and it was effectively recycled and reused four times with no significant drop-down in the yield of the product. 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. Aliphatic organochlorides are often alkylating agents as chlorine can act as a leaving group, which can result in cellular damage.Reference of 638-07-3

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

Highly Selective, Amine-Derived Cannabinoid Receptor 2 Probes was written by Westphal, Matthias V.;Sarott, Roman C.;Zirwes, Elisabeth A.;Osterwald, Anja;Guba, Wolfgang;Ullmer, Christoph;Grether, Uwe;Carreira, Erick M.. And the article was included in Chemistry – A European Journal in 2020.Safety of 1-Bromo-6-chlorohexane The following contents are mentioned in the article:

The endocannabinoid (eCB) system is implied in various human diseases ranging from central nervous system to autoimmune disorders. Cannabinoid receptor 2 (CB₂R) is an integral component of the eCB system. Yet, the downstream effects elicited by this G protein-coupled receptor upon binding of endogenous or synthetic ligands are insufficiently understood-likely due to the limited arsenal of reliable biol. and chem. tools. Herein, we report the design and synthesis of CB₂R-selective cannabinoids along with their in vitro pharmacol. characterization (binding and functional studies). They combine structural features of HU-308 and AM841 to give chimeric ligands that emerge as potent CB₂R agonists with high selectivity over the closely related cannabinoid receptor 1 (CB₁R). The synthesis work includes convenient preparation of substituted resorcinols often found in cannabinoids. The utility of the synthetic cannabinoids in this study is showcased by preparation of the most selective high-affinity fluorescent probe for CB₂R to date. This study involved multiple reactions and reactants, such as 1-Bromo-6-chlorohexane (cas: 6294-17-3Safety of 1-Bromo-6-chlorohexane).

1-Bromo-6-chlorohexane (cas: 6294-17-3) 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. 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).Safety of 1-Bromo-6-chlorohexane

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

Cytotoxic effects of coumarin substituted benzimidazolium salts against human prostate and ovarian cancer cells was written by Karatas, Mert Olgun;Tekin, Suat;Alici, Bulent;Sandal, Suleyman. And the article was included in Journal of Chemical Sciences (Berlin, Germany) in 2019.Safety of Ethyl 4-chloro-3-oxobutanoate The following contents are mentioned in the article:

The synthesis and anticancer properties of 6-substituted 4-chloromethylene coumarin derivatives I (R¹ = Me, Et, ethoxy, iso-Pr, tert-Bu, benzyl) and benzimidazole derivatives II (R² = Ph, 2,3,4,5,6-pentamethylphenyl, 3,4,5-trimethoxyphenyl), III (R³ = Ph, 2,3,4,5,6-pentamethylphenyl) and IV were reported. For this purpose, six 6-substituted-4-chloromethylene coumarin derivatives I and benzimidazole derivatives II, III and IV were synthesized and characterized. All compounds I, II, III, IV performed significant cytotoxicities at 100μM against human prostate (PC-3) and ovarian (A2780) cancer cell lines. Moreover, some compounds performed significant activities at 1μM against PC-3 and A2780 cancer cell lines and the obtained results suggest that this type of compounds is promising candidate for the treatment of human prostate and ovarian cancers. This study involved multiple reactions and reactants, such as Ethyl 4-chloro-3-oxobutanoate (cas: 638-07-3Safety of Ethyl 4-chloro-3-oxobutanoate).

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

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

Coumarin-Caged Compounds of 1-Naphthaleneacetic Acid as Light-Responsive Controlled-Release Plant Root Stimulators was written by Kaewchangwat, Narongpol;Thanayupong, Eknarin;Jarussophon, Suwatchai;Niamnont, Nakorn;Yata, Teerapong;Prateepchinda, Sagaw;Unger, Onuma;Han, Bao-hang;Suttisintong, Khomson. And the article was included in Journal of Agricultural and Food Chemistry in 2020.Reference of 638-07-3 The following contents are mentioned in the article:

Six coumarin-caged compounds of 1-naphthaleneacetic acid (NAA) comprising different substituents on the coumarin moiety were synthesized and evaluated for their photophys. and chem. properties as light-responsive controlled-release plant root stimulators. The ¹H NMR and HPLC techniques were used to verify the release of NAA from the caged compounds After irradiation at 365 nm, the caged compounds exhibited the fastest release rate at t_1/2 of 6.7 days and the slowest release rate at t_1/2 of 73.7 days. Caged compounds at high concentrations (10^-5 and 10^-6 M) significantly stimulate secondary root germination while free NAA at the same level is toxic and leads to inhibition of secondary root germination. The cytotoxicity of the caged compounds against fibroblasts and vero cells were evaluated, and the results suggested that, at 10^-5-10^-6 M, caged compounds exhibited no significant cytotoxicity to the cells. Thus, the caged compounds of NAA in this study could be of great benefit as efficient agrochems. 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. 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 638-07-3

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

Coumarin-Caged Compounds of 1-Naphthaleneacetic Acid as Light-Responsive Controlled-Release Plant Root Stimulators was written by Kaewchangwat, Narongpol;Thanayupong, Eknarin;Jarussophon, Suwatchai;Niamnont, Nakorn;Yata, Teerapong;Prateepchinda, Sagaw;Unger, Onuma;Han, Bao-hang;Suttisintong, Khomson. And the article was included in Journal of Agricultural and Food Chemistry in 2020.Recommanded Product: 4-Chlororesorcinol The following contents are mentioned in the article:

Six coumarin-caged compounds of 1-naphthaleneacetic acid (NAA) comprising different substituents on the coumarin moiety were synthesized and evaluated for their photophys. and chem. properties as light-responsive controlled-release plant root stimulators. The ¹H NMR and HPLC techniques were used to verify the release of NAA from the caged compounds After irradiation at 365 nm, the caged compounds exhibited the fastest release rate at t_1/2 of 6.7 days and the slowest release rate at t_1/2 of 73.7 days. Caged compounds at high concentrations (10^-5 and 10^-6 M) significantly stimulate secondary root germination while free NAA at the same level is toxic and leads to inhibition of secondary root germination. The cytotoxicity of the caged compounds against fibroblasts and vero cells were evaluated, and the results suggested that, at 10^-5-10^-6 M, caged compounds exhibited no significant cytotoxicity to the cells. Thus, the caged compounds of NAA in this study could be of great benefit as efficient agrochems. This study involved multiple reactions and reactants, such as 4-Chlororesorcinol (cas: 95-88-5Recommanded Product: 4-Chlororesorcinol).

4-Chlororesorcinol (cas: 95-88-5) 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.Recommanded Product: 4-Chlororesorcinol

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

Structural transformation of lignin from eucalyptus during chlorine dioxide bleaching was written by Qin, Chengrong;Huang, Lingzhi;Lv, Quanfeng;Nie, Shuangxi;Yao, Shuangquan. And the article was included in BioResources in 2019.Product Details of 95-88-5 The following contents are mentioned in the article:

Enzymic/mild acidolysis lignin was extracted from both unbleached and bleached eucalyptus pulp, and the difference in lignin structures was analyzed by NMR spectroscopy. The unbleached pulp lignin was chlorinated with chlorine dioxide, and the mechanism of adsorbable organic halide (AOX) formation was investigated. Chlorinated reaction products were detected by gas chromatog.-mass spectrometry. There is a possibility of producing three different chlorobenzene or chlorophenol products from S/S lignin dimers that are connected with β-O-4 bonds. Based on quantum chem. theory, three reaction pathways were investigated using mol. simulation techniques. The results showed that pathway 1 possessed the lowest reaction activation energy, which made it the most favored thermodynamically. The β-O-4 bond of the lignin dimer was cleaved. Following that scission, 2-chloro-3,5-dimethoxy-Me benzene was the most likely product to be generated from the chlorination reaction of the syringyl unit. These results provide theor. guidance for further reduction of AOX in chlorine dioxide bleaching. This study involved multiple reactions and reactants, such as 4-Chlororesorcinol (cas: 95-88-5Product Details of 95-88-5).

4-Chlororesorcinol (cas: 95-88-5) 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.Product Details of 95-88-5

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

Catalytic oxidation of 4-chlorophenol on in-situ sulfur-doped activated carbon with sulfate radicals was written by Guo, Yaoping;Zeng, Zequan;Li, Yulin;Huang, Zhanggen;Yang, Jieyang. And the article was included in Separation and Purification Technology in 2017.Formula: C6H5ClO2 The following contents are mentioned in the article:

In-situ S-doped activated C (ACS) was prepared and used as a heterogeneous catalyst to activate persulfate (PS) for 4-chlorophenol (4CP) oxidation The effects of several operation parameters, including PS concentration, initial pH, ACS dosage, and reaction temperature, on 4CP degradation were investigated in detail via batch experiments Results show that ACS exhibited excellent catalytic activity for PS activation and a complete 4CP degradation as well as 65.3% COD removal can be achieved in 170 min at 25° with ACS dosage of 0.1 g/L, PS/4CP molar ratio of 24/1 and initial pH of 4.4. The biodegradability was greatly improved after a 170 min reaction. Quenching tests reveal that SO₄^-· was the dominant active species taking part in the degradation of 4CP. Based on the stability tests and the corresponding characterizations of ACS before and after use, it was speculated that the loss of the sp. surface area and the change of the surface chem. led to the significant deactivation of ACS. Meanwhile, a possible mechanism of PS activation on ACS was proposed. This study involved multiple reactions and reactants, such as 4-Chlororesorcinol (cas: 95-88-5Formula: C6H5ClO2).

4-Chlororesorcinol (cas: 95-88-5) 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.Formula: C6H5ClO2

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

Bis-imidazolium functionalized self-crosslinking block polynorbornene anion exchange membrane was written by Zhang, Feng;He, Xiaohui;Cheng, Changwen;Huang, Shengmei;Duan, Yapeng;Zhu, Chuanyi;Guo, Yan;Wang, Kai;Chen, Defu. And the article was included in International Journal of Hydrogen Energy in 2020.Computed Properties of C6H12BrCl The following contents are mentioned in the article:

Anion exchange membranes (AEMs) are widely studied as an important component of fuel cells. In this paper, series self-crosslinking AEMs are obtained by copolymerization of the prepared bis-imidazolium functionalized ionic liquids The block copolymer shows excellent thermal stability with a decomposition temperature (Td) of 300°C. And the mech. properties of AEMs in OH^– are significantly improved due to the crosslinking of epoxy groups. The transmission electron microscopy (TEM) test results show a good microscopic phase separation structure and form ion channels in the membranes, which is benefited to ions conductivity The OH^– conductivity of AEMs is measured as above 2410^-3Scm^-1 and 9510^-3Scm^-1 at 30°C and 80°C, resp. In addition, the AEMs also exhibits excellent swelling performance, the highest is only 20.86% at 80°C. And the conductivity of all AEMs remained above 90% after being immersed in 1MNaOH aqueous at 60°C for 250 h. The peak power d. of the AEMs reaches 207.95 mW cm^-2 at c.d. of 403 mA cm^-2. This study involved multiple reactions and reactants, such as 1-Bromo-6-chlorohexane (cas: 6294-17-3Computed Properties of C6H12BrCl).

1-Bromo-6-chlorohexane (cas: 6294-17-3) 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. 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.Computed Properties of C6H12BrCl

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

Discovery of SIAIS178 as an Effective BCR-ABL Degrader by Recruiting Von Hippel-Lindau (VHL) E3 Ubiquitin Ligase was written by Zhao, Quanju;Ren, Chaowei;Liu, Linyi;Chen, Jinju;Shao, Yubao;Sun, Ning;Sun, Renhong;Kong, Ying;Ding, Xinyu;Zhang, Xianfang;Xu, Youwei;Yang, Bei;Yin, Qianqian;Yang, Xiaobao;Jiang, Biao. And the article was included in Journal of Medicinal Chemistry in 2019.Computed Properties of C6H12BrCl The following contents are mentioned in the article:

The oncogenic fusion protein BCR-ABL is the driving force of leukemogenesis in chronic myeloid leukemia (CML). Despite great progress for CML treatment through application of tyrosine kinase inhibitors (TKIs) against BCR-ABL, long-term drug administration and clin. resistance continue to be an issue. Herein, we described the design, synthesis, and evaluation of novel proteolysis-targeting chimeric (PROTAC) small mols. targeting BCR-ABL which connect dasatinib and VHL E3 ubiquitin ligase ligand by extensive optimization of linkers. Our efforts have yielded SIAIS178 (19), which induces proper interaction between BCR-ABL and VHL ligase leading to effective degradation of BCR-ABL protein, achieves significant growth inhibition of BCR-ABL⁺ leukemic cells in vitro, and induces substantial tumor regression against K562 xenograft tumors in vivo. In addition, SIAIS178 also degrades several clin. relevant resistance-conferring mutations. Our data indicate that SIAIS178 as efficacious BCR-ABL degrader warrants extensive further investigation for the treatment of BCR-ABL⁺ leukemia. This study involved multiple reactions and reactants, such as 1-Bromo-6-chlorohexane (cas: 6294-17-3Computed Properties of C6H12BrCl).

1-Bromo-6-chlorohexane (cas: 6294-17-3) 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.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.Computed Properties of C6H12BrCl

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