Month: October 2022

Product Details of 89466-08-0In 2020 ,《Discovery of a Potent Anticancer Agent PVHD303 with in Vivo Activity》 appeared in ACS Medicinal Chemistry Letters. The author of the article were Suzuki, Yumiko; Otake, Ayana; Ueno, Satoshi; Hayashi, Kensuke; Ishii, Hirosuke; Miyoshi, Nao; Kuroiwa, Kenta; Tachikawa, Masashi; Fujimaki, Yuki; Nishiyama, Kotaro; Manabe, Kei; Yamazaki, Ryuta; Asai, Akira. The article conveys some information:

As a part of our continuous structure-activity relationship (SAR) studies on 1-(quinazolin-4-yl)-1-(4-methoxyphenyl)ethan-1-ols, the synthesis of derivatives and their cytotoxicity against the human lung cancer cell line A549 were explored. This led to the discovery of 1-(2-(furan-3-yl)quinazolin-4-yl)-1-(4-methoxyphenyl)ethan-1-ol (PVHD303) with potent antiproliferative activity. PVHD303 disturbed microtubule formation at the centrosomes and inhibited the growth of tumors dose-dependently in the HCT116 human colon cancer xenograft model in vivo. The results came from multiple reactions, including the reaction of 2-Hydroxyphenylboronic acid(cas: 89466-08-0Product Details of 89466-08-0)

2-Hydroxyphenylboronic acid(cas: 89466-08-0) belongs to acyl phenylboronic acid. Phenylboronic acid (PBA) has been used to extract β-blockers (a class of aminoalcohol-containing drugs) from aqueous solution, rat, and human plasma. Product Details of 89466-08-0

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SDS of cas: 534-03-2In 2021 ,《Reversible Mechanochemistry Enabled Autonomous Sustaining of Robustness of Polymers-An Example of Next Generation Self-healing Strategy》 appeared in Chinese Journal of Polymer Science. The author of the article were Li, Ming-Xuan; Rong, Min-Zhi; Zhang, Ming-Qiu. The article conveys some information:

Even under low external force, a few macromols. of a polymer have to be much more highly stressed and fractured first due to the inherent heterogeneous microstructure. When the materials keep on working under loading, as is often the case, the minor damages would add up, endangering the safety of use. Here we show an innovative solution based on mechanochem. initiated reversible cascading variation of metal-ligand complexations. Upon loading, crosslinking d. of the proof-of-concept metallopolymer networks autonomously increases, and recovers after unloading. Meanwhile, the stress-induced tiny fracture precursors are blocked to grow and then restored. The entire processes reversibly proceed free of manual intervention and catalyst. The proposed mol.-level internal equilibrium prevention mechanisms fundamentally enhance durability of polymers in service. hydroxy benzotriazole. After reading the article, we found that the author used 2-Aminopropane-1,3-diol(cas: 534-03-2SDS of cas: 534-03-2)

2-Aminopropane-1,3-diol(cas: 534-03-2) belongs to anime. In organic chemistry, amines are compounds and functional groups that contain a basic nitrogen atom with a lone pair. Amines are formally derivatives of ammonia (NH3), wherein one or more hydrogen atoms have been replaced by a substituent such as an alkyl or aryl group (these may respectively be called alkylamines and arylamines; amines in which both types of substituent are attached to one nitrogen atom may be called alkylarylamines).SDS of cas: 534-03-2

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HPLC of Formula: 89466-08-0In 2020 ,《Discovery of 4,6- and 5,7-Disubstituted Isoquinoline Derivatives as a Novel Class of Protein Kinase C ζ Inhibitors with Fragment-Merging Strategy》 appeared in Journal of Medicinal Chemistry. The author of the article were Atobe, Masakazu; Serizawa, Takayuki; Yamakawa, Natsumi; Takaba, Kenichiro; Nagano, Yukiko; Yamaura, Toshiaki; Tanaka, Eiichi; Tazumi, Atsutoshi; Bito, Shino; Ishiguro, Masashi; Kawanishi, Masashi. The article conveys some information:

Two chem. series of novel protein kinase C ζ (PKCζ) inhibitors, 4,6-disubstituted and 5,7-disubstituted isoquinolines, were rapidly identified using our fragment merging strategy. This methodol. involves biochem. screening of a high concentration of a monosubstituted isoquinoline fragment library, then merging hit isoquinoline fragments into a single compound Our strategy can be applied to the discovery of other challenging kinase inhibitors without protein-ligand structural information. Furthermore, our optimization effort identified the highly potent and orally available 5,7-isoquinoline 37(I) from the second chem. series. Compound 37 showed good efficacy in a mouse collagen-induced arthritis model. The in vivo studies suggest that PKCζ inhibition is a novel target for rheumatoid arthritis (RA) and that 5,7-disubstituted isoquinoline 37 has the potential to elucidate the biol. consequences of PKCζ inhibition, specifically in terms of therapeutic intervention for RA. The experimental process involved the reaction of 2-Hydroxyphenylboronic acid(cas: 89466-08-0HPLC of Formula: 89466-08-0)

2-Hydroxyphenylboronic acid(cas: 89466-08-0) belongs to acyl phenylboronic acid. Phenylboronic acid (PBA) has been used to extract β-blockers (a class of aminoalcohol-containing drugs) from aqueous solution, rat, and human plasma. HPLC of Formula: 89466-08-0

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Product Details of 821-41-0In 2020 ,《Rhodium-Catalyzed Remote C(sp3)-H Borylation of Silyl Enol Ethers》 appeared in Angewandte Chemie, International Edition. The author of the article were Li, Jie; Qu, Shuanglin; Zhao, Wanxiang. The article conveys some information:

A rhodium-catalyzed remote C(sp3)-H borylation of silyl enol ethers (SEEs, E/Z mixtures) by alkene isomerization and hydroboration is reported. The reaction exhibits mild reaction conditions and excellent functional-group tolerance. This method is compatible with an array of SEEs, including linear and branched SEEs derived from aldehydes and ketones, and provides direct access to a broad range of structurally diverse 1,n-borylethers in excellent regioselectivities and good yields. These compounds are precursors to various valuable chems., such as 1,n-diols and amino alcs. The results came from multiple reactions, including the reaction of 5-Hexen-1-ol(cas: 821-41-0Product Details of 821-41-0)

5-Hexen-1-ol(cas: 821-41-0) is used in cyclization to a tetrahydropyran by phenylselenoetherification. It is also used as a building block in synthetic chemistry.Product Details of 821-41-0

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Category: alcohols-buliding-blocksIn 2019 ,《Chemo- and Regioselective Ring Construction Driven by Visible-Light Photoredox Catalysis: an Access to Fluoroalkylated Oxazolidines Featuring an All-Substituted Carbon Stereocenter》 was published in Advanced Synthesis & Catalysis. The article was written by Chu, Xue-Qiang; Ge, Danhua; Wang, Mao-Lin; Rao, Weidong; Loh, Teck-Peng; Shen, Zhi-Liang. The article contains the following contents:

The unique advantages conferred by incorporation of all-substituted carbon stereocenters in organic mols. have gained widespread recognition. In this work, we describe a three-component cyclization to access C-2 fluoroalkylated oxazolidines by fragments assembly of readily available silyl enol ether, fluoroalkyl halide, and chiral amino alc. in a single reaction vessel, which provides an efficient strategy for expanding the pool of pharmaceutically important heterocycles featuring an all-substituted carbon stereocenter. This process proceeds efficiently in a chemo-, regio-, and stereoselective fashion under mild reaction conditions at room temperature and exhibits broad functional group tolerance. The successful realization of this controlled heteroannulation sequence relies on distinctive perfluoroalkylation, regio- and stereoselective radical cyclization through visible-light photoredox catalysis. Moreover, a one-pot procedure directly employing ketone as substrate has also been achieved. After reading the article, we found that the author used (1S,2R)-1-Amino-2,3-dihydro-1H-inden-2-ol(cas: 126456-43-7Category: alcohols-buliding-blocks)

(1S,2R)-1-Amino-2,3-dihydro-1H-inden-2-ol(cas: 126456-43-7) belongs to anime. The methylamines occur in small amounts in some plants. Many polyfunctional amines (i.e., those having other functional groups in the molecule) occur as alkaloids in plants—for example, mescaline, 2-(3,4,5-trimethoxyphenyl)ethylamine; the cyclic amines nicotine, atropine, morphine, and cocaine; and the quaternary salt choline, N-(2-hydroxyethyl)trimethylammonium chloride, which is present in nerve synapses and in plant and animal cells.Category: alcohols-buliding-blocks

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Reference of Potassium sodium (2R,3R)-2,3-dihydroxysuccinate tetrahydrateIn 2019 ,《A comparative analysis on optical, photo luminescence and laser damage properties of conventional and uniaxial method grown semi organic nonlinear optical material – sodium potassium tartrate tetrahydrate》 was published in Materials Research Innovations. The article was written by Purusothaman, R.; Shankar, M.; Dennis Raj, A.; Vimalan, M.; Rajarajan, K.; Vetha Potheher, I.. The article contains the following contents:

Bulk growth of (010) oriented Sodium Potassium Tartrate Tetrahydrate (SPTT), a Nonlinear Optical single crystal was grown by solution growth technique in uniaxial and conventional methods. Optically transparent single crystal of diameter 20 mm and length 150 mm was harvested by uniaxial method in a period of 25 days and dimensions upto10 mm ×5 mm ×3 mm by conventional method within 15 days. The grown crystal was confirmed by single crystal X-ray Diffraction (XRD) and Fourier Transform IR (FTIR) anal. Phase purity was checked with Powder XRD (PXRD) anal. Uniaxial method grown crystal has higher transmittance than the conventional grown crystal. The Second Harmonic Generation (SHG) efficiency was found to be 0.9 times higher than KDP and laser damage threshold also measured and reported. Broad Photoluminescence (PL) emission was observed at 350-449 nm from the crystals grown by both the methods and it arises due to the UV and violet of visible spectral emissions. Pos. photo conducting nature of the grown crystals was confirmed by photoconductivity measurements. The experimental process involved the reaction of Potassium sodium (2R,3R)-2,3-dihydroxysuccinate tetrahydrate(cas: 6381-59-5Reference of Potassium sodium (2R,3R)-2,3-dihydroxysuccinate tetrahydrate)

Potassium sodium (2R,3R)-2,3-dihydroxysuccinate tetrahydrate(cas: 6381-59-5) is a ferroelectric crystal with a high piezoelectric effect and electromechanical coupling coefficient. Reference of Potassium sodium (2R,3R)-2,3-dihydroxysuccinate tetrahydrate Potassium sodium tartrate tetrahydrate has been used in the preparation of Lowry reagent for the determination of microsomal protein concentration in rat hepatic microsomes by Lowry method.

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Name: 3-Aminopropan-1-olIn 2022 ,《Synthesis and characterization of new spiro cyclotriphosphazene derivatives》 was published in Inorganic Chemistry Communications. The article was written by Begec, Saliha. The article contains the following contents:

Reactions of spiro-N,N-diisopropylpropane-1,3-diamino-2,2-4,4 tetrachlorocyclotriphosphazatriene (1) with 2,2′-dihydroxybiphenyl (2), and 3-amino-1-propanol (3) were studied. Dispiro (4,6) and trispiro (5) phosphazene derivatives were obtained from these reactions. New spirocyclotriphosphazenes (4-6) were characterized by elemental anal., 1H, 13C and 31P NMR spectroscopy. In the experiment, the researchers used many compounds, for example, 3-Aminopropan-1-ol(cas: 156-87-6Name: 3-Aminopropan-1-ol)

3-Aminopropan-1-ol(cas: 156-87-6) belongs to anime. Amines characteristically form salts with acids; a hydrogen ion, H+, adds to the nitrogen. With the strong mineral acids (e.g., H2SO4, HNO3, and HCl), the reaction is vigorous. Salt formation is instantly reversed by strong bases such as NaOH. Neutral electrophiles (compounds attracted to regions of negative charge) also react with amines; alkyl halides (R′X) and analogous alkylating agents are important examples of electrophilic reagents.Name: 3-Aminopropan-1-ol

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Quality Control of trans-4-AminocyclohexanolIn 2017 ,《Discovery of 4-((3’R,4’S,5’R)-6”-Chloro-4′-(3-chloro-2-fluorophenyl)-1′-ethyl-2”-oxodispiro[cyclohexane-1,2′-pyrrolidine-3′,3”-indoline]-5′-carboxamido)bicyclo[2.2.2]octane-1-carboxylic Acid (AA-115/APG-115): A Potent and Orally Active Murine Double Minute 2 (MDM2) Inhibitor in Clinical Development》 was published in Journal of Medicinal Chemistry. The article was written by Aguilar, Angelo; Lu, Jianfeng; Liu, Liu; Du, Ding; Bernard, Denzil; McEachern, Donna; Przybranowski, Sally; Li, Xiaoqin; Luo, Ruijuan; Wen, Bo; Sun, Duxin; Wang, Hengbang; Wen, Jianfeng; Wang, Guangfeng; Zhai, Yifan; Guo, Ming; Yang, Dajun; Wang, Shaomeng. The article contains the following contents:

The authors previously reported the design of spirooxindoles with two identical substituents at the carbon-2 of the pyrrolidine core as potent MDM2 inhibitors. In this paper the authors describe an extensive structure-activity relationship study of this class of MDM2 inhibitors, which led to the discovery of 60 (AA-115/APG-115, 4-((3R,4S,5R)-6”-chloro-4-(3-chloro-2-fluorophenyl)-1-ethyl-2”-oxodispiro[cyclohexane-1,2-pyrrolidine-3,3”-indoline]-5′-carboxamido)bicyclo[2.2.2]octane-1-carboxylic acid). Compound 60 has a very high affinity to MDM2 (Ki < 1 nM), potent cellular activity, and an excellent oral pharmacokinetic profile. Compound 60 is capable of achieving complete and long-lasting tumor regression in vivo and is currently in phase I clin. trials for cancer treatment. In addition to this study using trans-4-Aminocyclohexanol, there are many other studies that have used trans-4-Aminocyclohexanol(cas: 27489-62-9Quality Control of trans-4-Aminocyclohexanol) was used in this study.

trans-4-Aminocyclohexanol(cas: 27489-62-9) belongs to anime. Many important products require amines as part of their syntheses. Methylamine is utilized in the production of the analgesic meperidine (trade name Demerol) and the photographic developer Metol (trademark), and dimethylamine is used in the synthesis of the antihistamine diphenhydramine (trade name Benadryl), the solvent dimethylformamide (DMF), and the rocket propellant 1,1-dimethylhydrazine. The synthesis of the insect repellent N,N-diethyl-m-toluamide (DEET) incorporates diethylamine while that of the synthetic fibre Kevlar requires aromatic amines.Quality Control of trans-4-Aminocyclohexanol

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Synthetic Route of C6H13NOIn 2018 ,《Structure based drug design and in vitro metabolism study: Discovery of N-(4-methylthiophenyl)-N,2-dimethyl-cyclopenta[d]pyrimidine as a potent microtubule targeting agent》 was published in Bioorganic & Medicinal Chemistry. The article was written by Xiang, Weiguo; Choudhary, Shruti; Hamel, Ernest; Mooberry, Susan L.; Gangjee, Aleem. The article contains the following contents:

We report a series of tubulin targeting agents, some of which demonstrate potent antiproliferative activities. These analogs were designed to optimize the antiproliferative activity of 1 by varying the heteroatom substituent at the 4′-position, the basicity of the 4-position amino moiety, and conformational restriction. The potential metabolites of the active compounds were also synthesized. Some compounds demonstrated single digit nanomolar IC50 values for antiproliferative effects in MDA-MB-435 melanoma cells. Particularly, the S-Me analog 3 was more potent than 1 in MDA-MB-435 cells (IC50 = 4.6 nM). Incubation of 3 with human liver microsomes showed that the primary metabolite of the S-Me moiety of 3 was the Me sulfinyl group, as in analog 5. This metabolite was equipotent with the lead compound 1 in MDA-MB-435 cells (IC50 = 7.9 nM). Mol. modeling and electrostatic surface area were determined to explain the activities of the analogs. Most of the potent compounds overcome multiple mechanisms of drug resistance and compound 3 emerged as the lead compound for further SAR and preclin. development. The results came from multiple reactions, including the reaction of trans-4-Aminocyclohexanol(cas: 27489-62-9Synthetic Route of C6H13NO)

trans-4-Aminocyclohexanol(cas: 27489-62-9) belongs to anime. The reaction of alkyl halides, R―X, where X is a halogen, or analogous reagents with ammonia (or amines) is useful with certain compounds. Not all alkyl halides are effective reagents; the reaction is sluggish with secondary alkyl groups and fails with tertiary ones. Its usefulness is largely confined to primary alkyl halides (those having two hydrogen atoms on the reacting site).Synthetic Route of C6H13NO

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Computed Properties of C3H6O2In 2021 ,《Synthesis and properties of syndiotactic 1,2-polybutadiene catalyzed by iron catalyst with phosphate as additive》 was published in Journal of Applied Polymer Science. The article was written by Hu, Zhonghan; Xu, Yuechao; Hu, Wenhong; Luo, Wanwei; Zhao, Yu; Huang, Weizhong; Gong, Dirong. The article contains the following contents:

1,2 Syndiotactic polymerization of butadiene is accessible by iron catalysts prepared from com. available iron sources, trialkylaluminum with addnl. phosphate as additive. The catalyst formation is quite robust in terms of handling and stability under polymerization conditions. Activity equal to 115 kg (polymer)/mol(Fe)·h is achieved at 10,000 equivalent of monomer relative to the catalyst loading in 2 h at 50°C. The resultant polymer possesses 1,2 incorporation up to 80.2-93.1% with syndiotactic configuration (rrrr) of 40.2-85.2%. Crystallinity of polymers can be also tuned over a wide range degree from weak (2.1%) to high crystallinity (68.2%) by varying catalyst component feeding, enabling potential application as both rubber and resin. The higher activity of iron catalyst is preferred at hydrocarbon solvent n-hexane, n-heptane or toluene, higher temperature as well as trialkylalumium, such as tri-iso-butylaluminum, tri-ethylaluminum, and tri-methylaluminum as cocatalyst. Significant stereospecificity stability to variation for monomer concentration, type of alkylaluminum and temperature is also found. The high activity and 1,2-stereoselectivity featured with these thermal robust iron catalysts sheds light on the significance of additive on regulating stereo-polymerization promoted by conventional Ziegler-Natta catalysts. These features collectively could offer advantages for application in industry production of 1,2-syndiotactic polybutadiene. The experimental process involved the reaction of Oxetan-3-ol(cas: 7748-36-9Computed Properties of C3H6O2)

Oxetan-3-ol(cas: 7748-36-9) is used as a reagent in the synthesis of 5-fluoro-4,6-dialkoxypyrimidine GPR119 agonists. It is also used as a reagent in the synthesis of cyclic sulfone hydroxyethylamines as potent and selective β-site APP-cleaving enzyme 1 (BACE1) inhibitors.Computed Properties of C3H6O2

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