Tag: 0-100

Safety of 3-Aminopropan-1-olIn 2020 ,《Syntheses, structures and catalysis of tetranuclear zinc N-alkoxide ketoiminate complexes for ring-opening polymerization of rac-lactide》 was published in Inorganic Chemistry Communications. The article was written by Yang, Chao; Peng, Ying; Wang, Jiao; Chen, Pengjiao; Gong, Xiaotang. The article contains the following contents:

Two tetranuclear zinc complexes 2a and 2b bearing tridentate N-alkoxide ketoiminate ligands have been synthesized and fully characterized by single-crystal x-ray structure anal., NMR spectroscopy together with elemental analyses. Both of 2a and 2b can act as active catalysts in the ring-opening polymerization (ROP) of racemic-lactide (rac-LA) without addnl. co-initiators, either in solution or under industrially preferred melt conditions (130° no solvent). To be noted, 2a and 2b show remarkable activities for bulk rac-LA polymerization even with low catalyst loading of 0.1 mol%, yielding polymers with high mol. weights (Mn) of up to 91,200 g/mol (2b), and very high turnover frequencies (TOF) of 19,000 h-1 (2b) and 19,800 h-1 (2a). After reading the article, we found that the author used 3-Aminopropan-1-ol(cas: 156-87-6Safety of 3-Aminopropan-1-ol)

3-Aminopropan-1-ol(cas: 156-87-6) 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.Safety of 3-Aminopropan-1-ol

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Related Products of 534-03-2In 2021 ,《Terphenyl-Based Small-Molecule Inhibitors of Programmed Cell Death-1/Programmed Death-Ligand 1 Protein-Protein Interaction》 was published in Journal of Medicinal Chemistry. The article was written by Muszak, Damian; Surmiak, Ewa; Plewka, Jacek; Magiera-Mularz, Katarzyna; Kocik-Krol, Justyna; Musielak, Bogdan; Sala, Dominik; Kitel, Radoslaw; Stec, Malgorzata; Weglarczyk, Kazimierz; Siedlar, Maciej; Domling, Alexander; Skalniak, Lukasz; Holak, Tad A.. The article contains the following contents:

We describe a new class of potent PD-L1/PD-1 inhibitors based on a terphenyl scaffold that is derived from the rigidified biphenyl-inspired structure. Using in silico docking, we designed and then exptl. demonstrated the effectiveness of the terphenyl-based scaffolds in inhibiting PD-1/PD-L1 complex formation using various biophys. and biochem. techniques. We also present a high-resolution structure of the complex of PD-L1 with one of our most potent inhibitors to identify key PD-L1/inhibitor interactions at the mol. level. In addition, we show the efficacy of our most potent inhibitors in activating the antitumor response using primary human immune cells from healthy donors. In the experimental materials used by the author, we found 2-Aminopropane-1,3-diol(cas: 534-03-2Related Products of 534-03-2)

2-Aminopropane-1,3-diol(cas: 534-03-2) belongs to anime. Aniline, ethanolamines, and several other amines are major industrial commodities used in making rubber, dyes, pharmaceuticals, and synthetic resins and fibres and for a host of other applications. Most of the numerous methods for the preparation of amines may be broadly divided into two groups: (1) chemical reduction (replacement of oxygen with hydrogen atoms in the molecule) of members of several other classes of organic nitrogen compounds and (2) reactions of ammonia or amines with organic compounds.Related Products of 534-03-2

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Formula: C3H9NOIn 2021 ,《Substituent Effect in the Reactions between Criegee Intermediates and 3-Aminopropanol》 was published in Journal of Physical Chemistry A. The article was written by Kuo, Mei-Tsan; Yang, Jie-Ning; Lin, Jim Jr-Min; Takahashi, Kaito. The article contains the following contents:

Via intramol. H atom transfer, 3-aminopropanol is more reactive toward Criegee intermediates, in comparison with amines or alcs. Here we accessed the substituent effect of Criegee intermediates in their reactions with 3-aminopropanol. Through real-time monitoring the concentrations of two Criegee intermediates with their strong UV absorption at 340 nm, the exptl. rate coefficients at 298 K (100-300 Torr) were determined to be (1.52 ± 0.08) x 10-11 and (1.44 ± 0.22) x 10-13 cm3 s-1 for the reactions of 3-aminopropanol with (CH3)2COO (acetone oxide) and CH2CHC(CH3)OO (Me vinyl ketone oxide), resp. Compared to our previous exptl. value for the reaction with syn-CH3CHOO, (1.24 ± 0.13) x 10-11 cm3 s-1, we can see that the Me substitution at the anti position has little effect on the reactivity while the vinyl substitution causes a drastic decrease in the reactivity. Our theor. calculations based on CCSD(T)-F12 energies reproduce this 2-order-of-magnitude decrease in the rate coefficient caused by the vinyl substitution. Using the activation strain model, we found that the interaction of Criegee intermediates with 3-aminopropanol is weaker for the case of vinyl substitution. This effect can be further rationalized by the delocalization of the LUMO for the vinyl-substituted Criegee intermediates. These results would help us better estimate the impact of similar reactions like the reactions of Criegee intermediates with water vapor, some of which could be difficult to measure exptl. but can be important in the atm. We also found that the B2PLYP-D3BJ/aug-cc-pVTZ calculation can reproduce the CCSD(T)-F12 reaction barrier energies within ca. 1 kcal mol-1, indicating that the use of the B2PLYP-D3BJ method is promising for future predictions of the reactions of larger Criegee intermediates. In the experimental materials used by the author, we found 3-Aminopropan-1-ol(cas: 156-87-6Formula: C3H9NO)

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.Formula: C3H9NO

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Product Details of 13325-10-5In 2022 ,《Discovery of Small-Molecule Degraders of the CDK9-Cyclin T1 Complex for Targeting Transcriptional Addiction in Prostate Cancer》 was published in Journal of Medicinal Chemistry. The article was written by Li, Jiacheng; Liu, Ting; Song, Yuanli; Wang, Mingyu; Liu, Liping; Zhu, Hongwen; Li, Qi; Lin, Jin; Jiang, Hualiang; Chen, Kaixian; Zhao, Kehao; Wang, Mingliang; Zhou, Hu; Lin, Hua; Luo, Cheng. The article contains the following contents:

Aberrant hyperactivation of cyclins results in carcinogenesis and therapy resistance in cancers. Direct degradation of the specific cyclin or cyclin-dependent kinase (CDK)-cyclin complex by small-mol. degraders remains a great challenge. Here, we applied the first application of hydrophobic tagging to induce degradation of CDK9-cyclin T1 heterodimer, which is required to keep productive transcription of oncogenes in cancers. LL-K9-3 (I) was identified as a potent small-mol. degrader of CDK9-cyclin T1. Quant. and time-resolved proteome profiling exhibited LL-K9-3-induced selective and synchronous degradation of CDK9 and cyclin T1. The expressions of androgen receptor (AR) and cMyc were reduced by LL-K9-3 (I) in 22RV1 cells. LL-K9-3 (I) exhibited enhanced anti-proliferative and pro-apoptotic effects compared with its parental CDK9 inhibitor SNS032 and suppressed downstream signaling of CDK9 and AR more effectively than SNS032. Moreover, LL-K9-3 (I) inhibited AR and Myc-driven oncogenic transcriptional programs and exerted stronger inhibitory effects on several intrinsic target genes of AR than the monomeric CDK9 PROTAC (Thal-SNS032). After reading the article, we found that the author used 4-Aminobutan-1-ol(cas: 13325-10-5Product Details of 13325-10-5)

4-Aminobutan-1-ol(cas: 13325-10-5) is used in the synthesis of NSAIDs with anti-inflammatory properties. Also used in the synthesis of polyamine transport ligands with specificity against human cancers allowing easy access to specific cancer cells.Product Details of 13325-10-5

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Quality Control of Oxetan-3-olIn 2020 ,《Pd-Catalyzed ortho-C-H Olefination of Benzenesulfonamides Directed by 7-Azaindole》 appeared in Asian Journal of Organic Chemistry. The author of the article were Huo, Xing; Han, Jun; Yan, Xiaoxiao; Zhang, Heng; Xiong, Juan; Liu, Jian; Wang, Xiaolei; Li, Huilin; Huo, Leiming. The article conveys some information:

Demonstrated herein is a Pd-catalyzed ortho-C-H olefination of benzenesulfonamides I [R = H, Me, Cl; R1 = H; R2 = H, Cl, t-Bu, Ph, etc; R3 = H, Me, Cl; R3 = H, Me, Cl; R4 = H, Me, Cl; R1R2 = -(CH2)2O-; R2R3 = -(CH=CHCH=CH)-] using 7-azaindole as the directing group. This reaction proceeds with exclusive ortho selectivity, high efficiency and broad substrate scope. This method also provides access to sulfonic acids and ortho-alkylated sulfonamides I [R = Me; R1 = R2 = R3 = H; R4 = CH=CHC(O)OH, (CH2)2C(O)OCH2CH3]. Control experiments provides some insightful evidences to the mechanism and the plausible catalytic cycle is proposed to go through a unique seven-membered palladacycle species. In addition to this study using Oxetan-3-ol, there are many other studies that have used Oxetan-3-ol(cas: 7748-36-9Quality Control of Oxetan-3-ol) was used in this study.

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.Quality Control of Oxetan-3-ol

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In 2022,Laha, Joydev K.; Gupta, Pankaj published an article in Journal of Organic Chemistry. The title of the article was 《Sulfoxylate Anion Radical-Induced Aryl Radical Generation and Intramolecular Arylation for the Synthesis of Biarylsultams》.Formula: C3H6O2 The author mentioned the following in the article:

A green and practically useful synthetic protocol to access diverse six- and seven-membered biarylsultams I (R = H, Me, Ph; R1 = H, OMe, OPh, Me; R2 = H; R1R2 = -CH=CH-CH=CH-; R3 = H, Me, Cl, OCF3, etc.; R4 = H, Me), and e.g., II, especially with a free NH group including demonstration of a gram-scale synthesis was reported. The sulfoxylate anion radical (SO2-•), generated in situ from the reagents rongalite or sodium dithionite (Na2S2O4), was found to be the key single electron transfer agent forming aryl radicals from aryl halides, e.g., 2-bromo-N-phenylbenzene-1-sulfonamide which upon intramol. arylation gives biarylsultams I, and e.g., II, with good to excellent yields. The approach features generation of aryl radicals that remained under-explored, use of a cheap and readily available industrial reagents, and transition metal-free, mild, and green reaction conditions. The experimental process involved the reaction of Oxetan-3-ol(cas: 7748-36-9Formula: 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.Formula: C3H6O2

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Thiruchelvi, R.; Shivanika, C. published an article in 2021. The article was titled 《In-Silico analysis to identify the potent inhibitor of Rho GTPase activating protein for the usage of the Glaucoma》, and you may find the article in Materials Today: Proceedings.Name: Oxetan-3-ol The information in the text is summarized as follows:

Considered as the one of the leading irreversible loss of vision causing optic neuropathy, Glaucoma is estimated to hit more than 80 million by the end of 2020 via population survey. Increased intraocular pressure is taken as one of the risk factors among others behind the root of causing the disease. The imbalance in the secretion and the excretion of the aqueous humor inside and out of the ocular results in the IOP to deviate from the normal value of 22 mm of Hg. The Rho GAP pathway playing a crucial role in the modulation of the contractile and relaxation property of the actin smooth muscle, has shown in neg. regulating the protein kinase and subsequently increased IOP. In-vitro and Ex-vitro inhibition of the Rho GTPase protein through inhibitors have resulted in the relaxation of the actin and hence the IOP. The aim of the study is to use the in-silico technique such as, Autodock4, to explore the ligand interaction and its ability to inhibit the activity of RhoGTPase. The mols. AZA1 and Azaindole, with the least binding energies, have proven to be a potent inhibitor of the protein, hence as a lead towards the treatment of the glaucoma by decreasing the IOP to an extent.Oxetan-3-ol(cas: 7748-36-9Name: Oxetan-3-ol) was used in this study.

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.Name: Oxetan-3-ol

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Nandy, Anuradha; Kazi, Imran; Guha, Somraj; Sekar, Govindasamy published their research in Journal of Organic Chemistry in 2021. The article was titled 《Visible-Light-Driven Halogen-Bond-Assisted Direct Synthesis of Heteroaryl Thioethers Using Transition-Metal-Free One-Pot C-I Bond Formation/C-S Cross-Coupling Reaction》.Category: alcohols-buliding-blocks The article contains the following contents:

An efficient protocol for the synthesis of thioether directly from heteroarenes was developed in the presence of visible light in a one-pot manner at room temperature This method involved two sequential reactions in a single pot where the formation of the iodinated heteroarene was followed by a transition-metal-free C-S coupling reaction. A wide range of heteroarene and thiol partners (including aliphatic thiols) was used for the synthesis of thioethers. NMR studies and DFT calculations revealed the presence of a halogen bond between the thiolate anion (halogen bond acceptor) and iodoheteroarene (halogen bond donor). This halogen bonded complex on photoexcitation facilitated the electron transfer from the thiolate anion to the iodoheteroarene at room temperature After reading the article, we found that the author used Oxetan-3-ol(cas: 7748-36-9Category: alcohols-buliding-blocks)

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.Category: alcohols-buliding-blocks

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Mutlu Balci, Ceylan; Palabiyik, Duygu; Besli, Serap published their research in Inorganica Chimica Acta in 2021. The article was titled 《Amino alcohol based cyclotriphosphazenes: Effects of chain length and base factor on product diversity》.Reference of 4-Aminobutan-1-ol The article contains the following contents:

The effects of chain length and base on product diversity in the reactions of hexachlorocyclotriphosphazene, N3P3Cl6 (1) with amino alcs. (2a and 2b) were reported. In this sense, two different amino alcs. (2a and 2b) and three different base solutions (Et3N, NaH and amino alc. itself) were selected. All reactions were performed at 1:1 mol ratio in THF solvent and under argon atm. These reactions led to formation of open chain (3a, 3b and 7b) and spiro (4a-6a and 4b) compounds The isolated compounds (3a-5a, 3b, 4b and 7b) were characterized by elemental anal., MALDI-TOF mass spectrometry, 1H, and 31P NMR spectroscopy. The mol. and crystal structures of 4a, 5a and 4b were illuminated by X-Ray crystallog. The product formations and their amounts were discussed in terms of two different aspects: chain length of the nucleophile and the role of base. In addition, the product varieties in the reactions of hexachlorocyclotriphosphazene with diols, diamines and amino alcs. were mentioned. The results came from multiple reactions, including the reaction of 4-Aminobutan-1-ol(cas: 13325-10-5Reference of 4-Aminobutan-1-ol)

4-Aminobutan-1-ol(cas: 13325-10-5) is used in the synthesis of NSAIDs with anti-inflammatory properties. Also used in the synthesis of polyamine transport ligands with specificity against human cancers allowing easy access to specific cancer cells.Reference of 4-Aminobutan-1-ol

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《Dual Crosslinking Photo-Switches for Orthogonal Photo-Control of Hybridization Between Serinol Nucleic Acid and RNA》 was written by Yamano, Yuuhei; Murayama, Keiji; Asanuma, Hiroyuki. Electric Literature of C3H9NO2This research focused onXNA; crosslinking; nucleobase modification; photochemistry; serinol nucleic acid. The article conveys some information:

Wavelength-selective photo-regulation by multiple chromophores responding to different wavelengths can expand the variation of photo-manipulating systems. Herein, we report the orthogonal photo-regulation of duplex formation between serinol nucleic acid (SNA) and RNA using light-induced crosslinking reactions mediated by a new photo-reactive nucleobase 8-naphthylvinyladenine (NVA) and previously described 8-pyrenylvinyladenine (PVA). An intrastrand crosslink was induced in an SNA strand containing two adjacent NVA residues by irradiation with 340-405 nm light; the crosslink was reversed by irradiation with ≤300 nm light. In an SNA strand with adjacent NVA and PVA residues, an intrastrand crosslink resulted from irradiation with 405-465 nm light that was reversed by irradiation with ≤340 nm light. Intrastrand photo-crosslinking caused severe destabilization of an SNA/RNA duplex, resulting in dissociation to single strands. Cycloreversion resulted in duplex formation. With these NVA/NVA and NVA/PVA photo-switches, four hybridization states of two SNA/RNA duplexes could be orthogonally photo-controlled by irradiation with a suitable wavelength of light. In the experimental materials used by the author, we found 2-Aminopropane-1,3-diol(cas: 534-03-2Electric Literature of C3H9NO2)

2-Aminopropane-1,3-diol(cas: 534-03-2) belongs to anime. Acylation is one of the most important reactions of primary and secondary amines; a hydrogen atom is replaced by an acyl group (a group derived from an acid, such as RCOOH or RSO3H, by removal of ―OH, such as RC(=O)―, RS(O)2―, and so on). Reagents may be acid chlorides (RCOC1, RSO2C1), anhydrides ((RCO)2O), or even esters (RCOOR′); the products are amides of the corresponding acids.Electric Literature of C3H9NO2

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