Tag: 0-100

In 2022,Ansari, Sumaira; Mushtaq, Nousheen; Ahmed, Ahsaan; Asghar, Saira; Munawar, Rabya; Saify, Zafar Saied published an article in Pakistan Journal of Pharmaceutical Sciences. The title of the article was 《Synthesis, biological screening and docking studies of some indole derivatives as potential antioxidant》.Safety of Oxetan-3-ol The author mentioned the following in the article:

The present study envisioned some antioxidant candidates having 1,2,3,4-tetrahydro-9H-pyrido[3,4-b]indoles I [R = Ph, 4-FC6H4, 2,4,6-tri-MeC6H2, etc.; Y = C(O), C(O)CH2, SO2, C(O)CH2CH2], 3-(2-bromoethyl)indole (BEI) and 7-azindole (AI) nucleus. Derivatives of these indole mols. were synthesized and their scavenging activity for reactive oxygen species (ROS) investigated by 2,2-diphenyl-1-picrylhydrazyl (DPPH) radical scavenging assay. Compounds I [R = biphenyl-4-yl, Y = CH2C(O); R = 2,4,6-tri-MeC6H2, Y = SO2] exhibited significant radical scavenging potential which was comparable to ascorbic acid (standard), while compound I [R = 2-naphthyl, Y = CH2C(O)] appeared as most potent antioxidant by displaying better scavenging activity than standard mol. Mol. docking study revealed good binding score and interactions of compound I [R = 2-naphthyl, Y = CH2C(O)] with target human antioxidant enzyme (PDB code: 3MNG) validating the results of biol. activity. In the part of experimental materials, we found many familiar compounds, such as Oxetan-3-ol(cas: 7748-36-9Safety of Oxetan-3-ol)

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.Safety of Oxetan-3-ol

Referemce:
Alcohol – Wikipedia,
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《Fluorescence assay for the determination of D-panthenol based on novel ring-fused 2-pyridone derivative》 was written by Kasprzyk, Wiktor; Swiergosz, Tomasz; Koper, Filip. HPLC of Formula: 156-87-6 And the article was included in International Journal of Molecular Sciences in 2020. The article conveys some information:

Herein, a novel fluorescent method for the determination of D-panthenol (DP) level in solutions with no sep. hydrolysis step has been revealed based on the utilization of citric acid (CA) as a derivatizing agent. Consequently, the essential parameters of the derivatization process were established, resulting in the development of sensitive, repeatable, and accurate determination of panthenol. The method was approved, and its usefulness in characterizing the concentration of DP in pharmaceutical formulations and selectivity in the determination of DP were validated. The chem. structure of the new fluorophore formulating in the reaction in DP with CA, i.e., 6-oxo-3,4-dihydro-2H,6H-pyrido[2,1-b][1,3]oxazine-8-carboxylic acid (ODPC), was elucidated using detailed NMR experiments: one-dimensional (1H, 13C) as well as two-dimensional NMR spectra (1H-1H COSY, 1H-13C HSQC, 1H-13C HMBC, 1H-15N HSQC, 1H-15N HMBC). In addition to this study using 3-Aminopropan-1-ol, there are many other studies that have used 3-Aminopropan-1-ol(cas: 156-87-6HPLC of Formula: 156-87-6) was used in this study.

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.HPLC of Formula: 156-87-6

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《Selectively Addressable Photogenerated Spin Qubit Pairs in DNA Hairpins》 was published in Journal of the American Chemical Society in 2020. These research results belong to Olshansky, Jacob H.; Zhang, Jinyuan; Krzyaniak, Matthew D.; Lorenzo, Emmaline R.; Wasielewski, Michael R.. Application of 156-87-6 The article mentions the following:

Photoinduced electron transfer can produce radical pairs having two quantum entangled electron spins that can act as spin qubits in quantum information applications. Manipulation of these spin qubits requires selective addressing of each spin using microwave pulses. In this work, photogenerated spin qubit pairs are prepared within chromophore-modified DNA hairpins with varying spin qubit distances, and are probed using transient EPR spectroscopy. By performing pulse-EPR measurements on the shortest hairpin, selective addressing of each spin qubit comprising the pair is demonstrated. Furthermore, these spin qubit pairs have coherence times of more than 4 μs, which provides a comfortable time window for performing complex spin manipulations for quantum information applications. The applicability of these DNA-based photogenerated two-qubit systems is discussed in the context of quantum gate operations, specifically the controlled-NOT gate. In the experiment, the researchers used many compounds, for example, 3-Aminopropan-1-ol(cas: 156-87-6Application of 156-87-6)

3-Aminopropan-1-ol(cas: 156-87-6) belongs to anime. Milder oxidation, using reagents such as NaOCl, can remove four hydrogen atoms from primary amines of the type RCH2NH2 to form nitriles (R―C≡N), and oxidation with reagents such as MnO2 can remove two hydrogen atoms from secondary amines (R2CH―NHR′) to form imines (R2C=NR′). Tertiary amines can be oxidized to enamines (R2C=CHNR2) by a variety of reagents.Application of 156-87-6

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The author of 《Compounds based on 5-(perylen-3-ylethynyl)uracil scaffold: High activity against tick-borne encephalitis virus and non-specific activity against enterovirus A》 were Chistov, Alexey A.; Orlov, Alexey A.; Streshnev, Philipp P.; Slesarchuk, Nikita A.; Aparin, Ilya O.; Rathi, Brijesh; Brylev, Vladimir A.; Kutyakov, Sergey V.; Mikhura, Irina V.; Ustinov, Alexey V.; Westman, Gunnar; Palyulin, Vladimir A.; Jain, Nidhi; Osolodkin, Dmitry I.; Kozlovskaya, Liubov I.; Korshun, Vladimir A.. And the article was published in European Journal of Medicinal Chemistry in 2019. HPLC of Formula: 13325-10-5 The author mentioned the following in the article:

Rigid amphipathic fusion inhibitors (RAFIs) are potent antivirals based on a perylene core linked with a nucleoside moiety. Sugar-free analogs of RAFIs, 5-(perylen-3-ylethynyl)uracil-1-acetic acid and its amides I (R = Bu, CH2CH(OH)CMe2CH2OH, (CH2)2OH, etc.; R1 = H, (CH2)2OH) were synthesized using combined protection group strategy and those compounds appeared to have low toxicity on porcine embryo kidney (PEK) or rhabdomiosarcoma (RD) cells together with remarkable activity against enveloped tick-borne encephalitis virus (TBEV): EC50 values vary from 0.077 μM to subnanomolar range. Surprisingly, 3-pivaloyloxymethyl (Pom) protected 5-(perylen-3-ylethynyl)uracil-1-acetic acid precursors showed even more pronounced activity. All the compounds showed no activity against several non-enveloped enteroviruses, except 4-hydroxybutylamides I (R = (CH2)4OH; R1 = H) and (R= CH2CH(OH)CMe2CH2OH; R1 = H), which inhibited the reproduction of enterovirus A71 with EC50 50-100 μM, with a non-specific mode of action. The results suggest that the carbohydrate moiety of RAFI nucleosides does not play a crucial role in their antiviral action, and biol. activity of the 5-(perylen-3-ylethynyl)uracil scaffold can be effectively modulated by substituents in positions 1 and 3. The high antiviral activity of these new compounds, coupled with low toxicity advocate their potential role in antiviral therapy. The results came from multiple reactions, including the reaction of 4-Aminobutan-1-ol(cas: 13325-10-5HPLC of Formula: 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.HPLC of Formula: 13325-10-5

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

《Modeling temperature dependent and absolute carbamate stability constants of amines for CO2 capture》 was published in International Journal of Greenhouse Gas Control in 2020. These research results belong to Gupta, Mayuri; Svendsen, Hallvard F.. Electric Literature of C3H9NO The article mentions the following:

Thermodn. properties and carbamate stability constants (Kc) for a dataset of 25 amines and alkanolamines, with desirable post combustion CO2 capture (PCC) solvent properties, have been studied extensively employing various gaseous phase calculations and solvation models. A comprehensive study of gaseous phase free energy and enthalpy is carried out using d. functional methods [B3LYP/6-311++G(d,p)], and composite methods (G3MP2B3, G3MP2, G4MP2 and CBS-QB3). Implicit solvation models (PCM, SM8T and DivCon) and the Explicit Solvation Shell Model (ESS) were used to study solvation free energy of various neutral and ionic species present in the amine-carbamate formation reaction. Temperature dependent carbamate stability constants are calculated for the carbamate formation reaction of amines and alkanolamines to better understand the effect of temperature on temperature swing absorption-desorption PCC processes. The temperature dependency of Kc was compared against available exptl. data. In the part of experimental materials, we found many familiar compounds, such as 3-Aminopropan-1-ol(cas: 156-87-6Electric Literature of C3H9NO)

3-Aminopropan-1-ol(cas: 156-87-6) belongs to anime. Hydrogen peroxide (H2O2) and peroxy acids generally add an oxygen atom to the nitrogen of amines. With primary amines, this step is normally followed by further oxidation, leading to nitroso compounds, RNO, or nitro compounds, RNO2. Secondary amines are converted to hydroxylamines, R2NOH, and tertiary amines to amine oxides, R3NO.Electric Literature of C3H9NO

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In 2019,Journal of Molecular Liquids included an article by Abdul Samat, Nurul Fatin Nabilah; Yusoff, Rozita Binti; Aroua, Mohamed Kheireddine; Ramalingam, Anantharaj; Kassim, Mohd Azlan. HPLC of Formula: 534-03-2. The article was titled 《Solubility of CO2 in aqueous 2-amino-1, 3-propanediol (Serinol) at elevated pressures》. The information in the text is summarized as follows:

In this work, aqueous 2-amino-1, 3-propanediol solution (serinol) was investigated as a potential solvent for CO2 capture from different gas streams. Prior to CO2 solubility experiments, a qual. prediction technique was performed on serinol to ensure its potentiality as a CO2 capture solvent. This was done using COSMO-RS approach based on quantum chem. calculations Based on this approach, serinol showed good affinity towards hydrogen-bond donors which proved to be beneficial in developing intermol. interaction between serinol and CO2. The solubility of CO2 in serinol was then investigated at serinol concentrations ranging from 1 M to 3 M, temperatures ranging from 313.15 K to 353.15 K and CO2 partial pressures ranging from 1034.31 kPa to 2068.43 kPa. The solubility of CO2 in serinol reached a highest value of 1.64 mol of CO2/mol of serinol when the serinol concentration was 1 M, at 313.15 K and 2068.43 kPa. Meanwhile, Henry’s law constant of CO2 in serinol was calculated using N2O analogy at 313.15 K and 333.15 K for molar concentrations of 1 M and 3 M of serinol. Results showed that the phys. solubility of CO2 in serinol increased as the temperature and the concentration of the solution decreased. The lowest value of Henry’s law constant of CO2 was 599.4 kPa·m3·kmol-1, for 1 M of serinol at 313.15 K. In the part of experimental materials, we found many familiar compounds, such as 2-Aminopropane-1,3-diol(cas: 534-03-2HPLC of Formula: 534-03-2)

2-Aminopropane-1,3-diol(cas: 534-03-2) belongs to anime. To avoid the problem of multiple alkylation, methods have been devised for “blocking” substitution so that only one alkyl group is introduced. The Gabriel synthesis is one such method; it utilizes phthalimide, C6H4(CO)2NH, whose one acidic hydrogen atom has been removed upon the addition of a base such as KOH to form a salt.HPLC of Formula: 534-03-2

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Electric Literature of C3H9NO2In 2019 ,《Novel fatty acid-based pH-responsive nanostructured lipid carriers for enhancing antibacterial delivery》 was published in Journal of Drug Delivery Science and Technology. The article was written by Osman, Nawras; Omolo, Calvin A.; Gannimani, Ramesh; Waddad, Ayman Y.; Rambharose, Sanjeev; Mocktar, Chunderika; Singh, Sanil; Parboosing, Raveen; Govender, Thirumala. The article contains the following contents:

The present study is aimed at the employment of novel fatty acid derived lipids for the preparation of pH-responsive nanostructured lipid carriers (NLCs) for vancomycin (VCM) i.v. delivery against resistant and sensitive Staphylococcus aureus bacteria. Two branched lipids [stearic acid derived solid lipid and oleic acid derived liquid lipid] were synthesized, characterized and used to fabricate NLCs by hot homogenization technique. Particle size, polydispersity index, zeta potential and encapsulation efficiency were 225.2 ± 9.1 nm, 0.258 ± 0.02, -9.2 ± 2.7 mV and 88.7 ± 13.12%, resp. An understanding of drug encapsulation efficiencies and formation of the NLCs were supported by in silico studies. In vitro antibacterial activity revealed that VCM loaded-NLCs had higher activity against methicillin-susceptible and resistant Staphylococcus aureus than the bare VCM. Cell viability study showed that NLCs had 2.5-fold better killing percentage than the bare drug at similar concentrations Furthermore, the in vivo efficacy of VCM loaded-NLCs was assessed in a mouse model of MRSA skin infection. MRSA CFU load of the skin treated with NLCs was 37-fold lower than bare VCM (p < 0.05). This novel pH-responsive NLCs may, therefore, show potential for efficient and enhanced antibiotic delivery. The experimental process involved the reaction of 2-Aminopropane-1,3-diol(cas: 534-03-2Electric Literature of C3H9NO2)

2-Aminopropane-1,3-diol(cas: 534-03-2) belongs to anime. Amine, any member of a family of nitrogen-containing organic compounds that is derived, either in principle or in practice, from ammonia (NH3). Naturally occurring amines include the alkaloids, which are present in certain plants; the catecholamine neurotransmitters (i.e., dopamine, epinephrine, and norepinephrine); and a local chemical mediator, histamine, that occurs in most animal tissues.Electric Literature of C3H9NO2

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Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

In 2022,Hashimoto, Hisashi; Ueda, Yoshihiro; Takasu, Kiyosei; Kawabata, Takeo published an article in Angewandte Chemie, International Edition. The title of the article was 《Catalytic Substrate-Selective Silylation of Primary Alcohols via Remote Functional-Group Discrimination》.COA of Formula: C4H11NO The author mentioned the following in the article:

Silylation of alcs. has generally been known to take place at the sterically most accessible less-hindered hydroxy group. Herein, the catalyst-controlled substrate-selective silylation of primary alcs., in which the selectivity was controlled independently of the innate reactivity of the hydroxy group, based on the steric environment, is reported. The chain-length-selective silylation of 1,n-amino alc. derivatives was achieved and 1,5-amino alc. derivatives showed outstandingly high reactivity in the presence of analogs with a shorter or longer chain length under catalyst-controlled conditions. A highly substrate-selective catalytic silylation of pentanol analogs was also developed, in which the remote functionality at C(5) from the reacting hydroxy groups was effectively discriminated on silylation.4-Aminobutan-1-ol(cas: 13325-10-5COA of Formula: C4H11NO) was used in this study.

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.COA of Formula: C4H11NO

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

In 2022,Eshaghi Gorji, Zahra; Ebrahimpoor Gorji, Ali; Riahi, Siavash published an article in Chemical Engineering Research and Design. The title of the article was 《A structure-property model for the prediction of pKa values of different amines in the CO2 capture process of concern to the prediction of thermodynamic properties》.Computed Properties of C3H9NO2 The author mentioned the following in the article:

In this study, Quant. Structure-Property Relationship (QSPR) method has been applied on a dataset including the pKa values of 21 different structures (20 amines and ammonia) at four temperatures in the post-combustion-capture process using QSARINS. QSPR models have been accomplished in two situations, called fixed and unfixed temperatures In the fixed temperatures, four predictive models with one descriptor have been sep. developed at each temperature Besides, thermodn. properties have been calculated by the van′t Hoff equation using predicted pKa values. In the unfixed temperatures, two general models were developed which take into account the effects of mol. structure and temperature, simultaneously. The predicted pKa values and calculated Gibbs free energy have a good consistency with related values in the literature. The reliability of each developed model has been examined using external assessments. The values of some statistical parameters such as R2 = 0.89 and AARD% = 2.68 verify the prediction capability of models. In the experimental materials used by the author, we found 2-Aminopropane-1,3-diol(cas: 534-03-2Computed Properties of C3H9NO2)

2-Aminopropane-1,3-diol(cas: 534-03-2) 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).Computed Properties of C3H9NO2

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《Discovery of a novel class of covalent dual inhibitors targeting the protein kinases BMX and BTK》 was written by Forster, Michael; Liang, Xiaojun Julia; Schroeder, Martin; Gerstenecker, Stefan; Chaikuad, Apirat; Knapp, Stefan; Laufer, Stefan; Gehringer, Matthias. Reference of Oxetan-3-ol And the article was included in International Journal of Molecular Sciences in 2020. The article conveys some information:

Here a novel class of dual BMX/BTK inhibitors, which were designed from irreversible inhibitors of Janus kinase (JAK) 3 targeting a cysteine located within the solvent-exposed front region of the ATP binding pocket was presented. Structure-guided design exploiting the differences in the gatekeeper residues enabled the achievement of high selectivity over JAK3 and certain other kinases harboring a sterically demanding residue at this position. The most active compounds inhibited BMX and BTK with apparent IC50 values in the single digit nanomolar range or below showing moderate selectivity within the TEC family and potent cellular target engagement. These compounds represent an important first step towards selective chem. probes for the protein kinase BMX. The experimental part of the paper was very detailed, including the reaction process of Oxetan-3-ol(cas: 7748-36-9Reference of Oxetan-3-ol)

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.Reference of Oxetan-3-ol

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts