Author: tianli

Abulwerdi, Fardokht A. published the artcile3-Substituted-N-(4-Hydroxynaphthalen-1-yl)arylsulfonamides as a Novel Class of Selective Mcl-1 Inhibitors: Structure-Based Design, Synthesis, SAR, and Biological Evaluation, Recommanded Product: 2-((4-(4-Bromophenylsulfonamido)-1-hydroxynaphthalen-2-yl)thio)acetic acid, the publication is Journal of Medicinal Chemistry (2014), 57(10), 4111-4133, database is CAplus and MEDLINE.

Mcl-1, an antiapoptotic member of the Bcl-2 family of proteins, is a validated and attractive target for cancer therapy. Overexpression of Mcl-1 in many cancers results in disease progression and resistance to current chemotherapeutics. Utilizing high-throughput screening, compound I was identified as a selective Mcl-1 inhibitor and its binding to the BH3 binding groove of Mcl-1 was confirmed by several different, but complementary, biochem. and biophys. assays. Guided by structure-based drug design and supported by NMR experiments, comprehensive SAR studies were undertaken and a potent and selective inhibitor, compound II, was designed which binds to Mcl-1 with a K_i of 180 nM. Biol. characterization of II showed that it disrupts the interaction of endogenous Mcl-1 and biotinylated Noxa-BH3 peptide, causes cell death through a Bak/Bax-dependent mechanism, and selectively sensitizes Eμ-myc lymphomas overexpressing Mcl-1, but not Eμ-myc lymphoma cells overexpressing Bcl-2. Treatment of human leukemic cell lines with compound II resulted in cell death through activation of caspase-3 and induction of apoptosis.

Journal of Medicinal Chemistry published new progress about 518303-20-3. 518303-20-3 belongs to alcohols-buliding-blocks, auxiliary class Apoptosis,Bcl-2, name is 2-((4-(4-Bromophenylsulfonamido)-1-hydroxynaphthalen-2-yl)thio)acetic acid, and the molecular formula is C18H14BrNO5S2, Recommanded Product: 2-((4-(4-Bromophenylsulfonamido)-1-hydroxynaphthalen-2-yl)thio)acetic acid.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Abulwerdi, Fardokht published the artcileA Novel Small-Molecule Inhibitor of Mcl-1 Blocks Pancreatic Cancer Growth In Vitro and In Vivo, COA of Formula: C18H14BrNO5S2, the publication is Molecular Cancer Therapeutics (2014), 13(3), 565-575, database is CAplus and MEDLINE.

Using a high-throughput screening (HTS) approach, we have identified and validated several small-mol. Mcl-1 inhibitors (SMI). Here, we describe a novel selective Mcl-1 SMI inhibitor, 2 (UMI-77), developed by structure-based chem. modifications of the lead compound 1 (UMI-59). We have characterized the binding of UMI-77 to Mcl-1 by using complementary biochem., biophys., and computational methods and determined its antitumor activity against a panel of pancreatic cancer cells and an in vivo xenograft model. UMI-77 binds to the BH3-binding groove of Mcl-1 with K_i of 490 nmol/L, showing selectivity over other members of the antiapoptotic Bcl-2 family. UMI-77 inhibits cell growth and induces apoptosis in pancreatic cancer cells in a time- and dose-dependent manner, accompanied by cytochrome c release and caspase-3 activation. Coimmunoprecipitation experiments revealed that UMI-77 blocks the heterodimerization of Mcl-1/Bax and Mcl-1/Bak in cells, thus antagonizing the Mcl-1 function. The Bax/Bak-dependent induction of apoptosis was further confirmed using murine embryonic fibroblasts that are Bax- and Bak-deficient. In an in vivo BxPC-3 xenograft model, UMI-77 effectively inhibited tumor growth. Western blot anal. in tumor remnants revealed enhancement of proapoptotic markers and significant decrease of survivin. Collectively, these promising findings show the therapeutic potential of Mcl-1 inhibitors against pancreatic cancer and warrant further preclin. investigations. Mol Cancer Ther; 13(3); 565-75. 2013 AACR.

Molecular Cancer Therapeutics published new progress about 518303-20-3. 518303-20-3 belongs to alcohols-buliding-blocks, auxiliary class Apoptosis,Bcl-2, name is 2-((4-(4-Bromophenylsulfonamido)-1-hydroxynaphthalen-2-yl)thio)acetic acid, and the molecular formula is C18H14BrNO5S2, COA of Formula: C18H14BrNO5S2.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Zhang, Qifeng published the artcileSulfur(IV)-mediated umpolung α-heterofunctionalization of 2-oxazolines, Product Details of C8H10S, the publication is Chemical Science (2022), 13(18), 5164-5170, database is CAplus and MEDLINE.

The α-umpolung of carbonyl compounds significantly expands the boundaries of traditional carbonyl chem. Despite various umpolung methods available today, reversing the inherent reactivity ofcarbonyls still remains a substantial challenge. In this article, the authors report the first use of sulfonium salts, in lieu of well-established hypervalent iodines, for the carbonyl umpolung event. The protocol enables the incorporation of a wide variety of heteroatom nucleophiles into the α-carbon of 2-oxazolines. The success of this investigation hinges on the following factors: (1) the use of sulfoxides, which are abundant, structurally diverse and tunable, and easily accessible, ensures the identification of a superior oxidant namely phenoxathiin sulfoxide for the umpolung reaction; (2) the “assembly/deprotonation” protocol previously developed for rearrangement reactions in the authors’ laboratory was successfully applied here for the construction of α-umpoled 2-oxazolines.

Chemical Science published new progress about 4410-99-5. 4410-99-5 belongs to alcohols-buliding-blocks, auxiliary class Thiol,Benzene, name is 2-Phenylethanethiol, and the molecular formula is C7H16ClNO2, Product Details of C8H10S.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Tian, Zhipeng published the artcileHydrodeoxygenation of guaiacol as a model compound of pyrolysis lignin-oil over NiCo bimetallic catalyst: Reactivity and kinetic study, Name: 4-Propylphenol, the publication is Fuel (2022), 122034, database is CAplus.

Catalytic hydrodeoxygenation (HDO) is a popular route to upgrade the pyrolysis lignin-oil that is abundant of phenolic compounds, and the synergistic effect of bimetal enables to improve the catalytic activity significantly. In this work, a series of non-noble metal catalysts are synthesized and their HDO performances of guaiacol are compared. Optimized NiCo/SiO₂-ZrO₂ catalyst expresses a 100% conversion and a 99.9% selectivity of cyclohexane product, which is higher than those over Ni/SiO₂-ZrO₂ catalyst. Catalyst characterization results demonstrate that the interaction between Ni and Co promotes the reduction of metal site and the adsorption of hydrogen, which is the crucial factor during HDO process. Besides, the electron transfer from Co to Ni species weakens the C-O bond of substrate intermediate and results in its cleavage to transform cyclohexanol to cyclohexane. This is also the rate determining step in the HDO of guaiacol. Specific kinetic study is conducted to verify the reaction pathway and the structure-activity relationship. The HDO reaction of guaiacol on NiCo/SiO₂-ZrO₂ fits the first order kinetic model well. The apparent Ea of 55.9 kJ·mol^-1 is lower than those of the noble metal catalysts reported in previous studies. In addition, the upgrading of raw pyrolysis lignin-oil on this non-noble bimetallic catalyst also achieves a high HDO efficiency, with the hydrocarbon contents increased from 4.2% to 60.6%. The good HDO performance of this cheap and easy-prepared NiCo catalyst proves its promising potential in the upgrading of lignin-oil for the production of hydrocarbon fuels.

Fuel published new progress about 645-56-7. 645-56-7 belongs to alcohols-buliding-blocks, auxiliary class Liquid Crystal &OLED Materials, name is 4-Propylphenol, and the molecular formula is C7H5ClN2S, Name: 4-Propylphenol.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Shi, Jing published the artcileHeterocyclic analogs of phenol as novel potential antioxidants, Application of Thiophen-3-ol, the publication is Journal of Physical Organic Chemistry (2009), 22(11), 1038-1047, database is CAplus.

Five d. functional theory (DFT) methods including B3LYP, B3PW91, MPW1K, MPWB, TPSS1KCIS were evaluated by comparing with the exptl. O[bond]H bond dissociation enthalpies (BDEs) of substituted phenols. B3PW91 is the best method, for which the calculation error was 3.62 kJ/mol. Subsequently, the BDEs (O[bond]H) of hydroxyl groups on five- and six-membered heteroat. aromatic rings were calculated using the (RO)B3PW91/6-311++G(2df,2p)//(U)B3LYP/6-311g(d,p) procedure. The ionization energy (IE) and proton affinity [PA(O^–)] of these compounds also were examined From theor. study, imidazolols, thiazolols, and oxazolols were studied to assess their antioxidant activities. 5-Oxazolol could be a promising novel antioxidant precursor. Copyright © 2009 John Wiley and Sons, Ltd.

Journal of Physical Organic Chemistry published new progress about 17236-59-8. 17236-59-8 belongs to alcohols-buliding-blocks, auxiliary class Thiophene,Alcohol, name is Thiophen-3-ol, and the molecular formula is C12H13F2N3O4S, Application of Thiophen-3-ol.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Wang, Yan-jiao published the artcileEffect of oxytocin combined with carboprost tromethamine on postoperative hemorrhage, recovery of gastrointestinal function, and the first average urination time after cesarean section in full-term delivery, Category: alcohols-buliding-blocks, the publication is Zhongguo Fuyou Baojian (2017), 32(20), 4923-4925, database is CAplus.

Objective To explore the effect of oxytocin combined with carboprost tromethamine on postoperative hemorrhage, recovery of gastrointestinal function, and the first average urination time after cesarean section in full-term delivery. Methods A total of 130 women after full-term delivery were chosen from the hospital from Oct. 2014 to Oct. 2016, then they were divided into control group and observation group according to random number table, 65 women in each group. The women in observation group were treated by oxytocin combined with carboprost tromethamine. The amounts of postoperative hemorrhage at 2 and 24 h after operation, the time of gastrointestinal function recovery, the first average urination time, and the incidence rates of adverse effects in the two groups were compared. Results The amounts of postoperative hemorrhage at 2 and 24 h after operation in observation group were statistically significantly less than those in control group (t = 3.14, 3.30, P<0.05). The time of gastrointestinal function recovery in observation group was statistically significantly shorter than that in control group (t = 2.74, P<0.05). The first average urination time in observation group was statistically significantly better than that in control group (F = 3.78, P<0.05). There was no statistically significant difference in the incidence rates of adverse effects between the two groups (χ² = 0.97, P>0.05). Conclusion Oxytocin combined with carboprost tromethamine used for full-term delivery after cesarean section can effectively reduce the amount of postoperative hemorrhage, promote recovery of gastrointestinal function and urination as soon as possible, and it doesn′t increase the incidence rates of adverse effects, the value is superior to oxytocin.

Zhongguo Fuyou Baojian published new progress about 58551-69-2. 58551-69-2 belongs to alcohols-buliding-blocks, auxiliary class Chiral,Alkenyl,Amine,Aliphatic cyclic hydrocarbon,Ester,Alcohol,Inhibitor,, name is 2-Amino-2-(hydroxymethyl)propane-1,3-diol (Z)-7-((1R,2R,3R,5S)-3,5-dihydroxy-2-((S,E)-3-hydroxy-3-methyloct-1-en-1-yl)cyclopentyl)hept-5-enoic acid, and the molecular formula is C12H19BrS, Category: alcohols-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Xu, Ningxin published the artcileCopper-Catalyzed Stereospecific Transformations of Alkylboronic Esters, Recommanded Product: 2-(2,3-Dihydro-1H-inden-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, the publication is Journal of the American Chemical Society (2022), 144(26), 11546-11552, database is CAplus and MEDLINE.

Cu-catalyzed stereospecific cross-couplings of boronic esters are reported. Boron “ate” complexes derived from pinacol boronic esters and tert-Bu Li undergo stereospecific transmetalation to Cu cyanide, followed by coupling with alkynyl bromides, allyl halides, propargylic halides, β-haloenones, hydroxylamine esters, and acyl chlorides. Through this simple transformation, com. available inexpensive compounds can be employed to convert primary and secondary alkylboronic esters to a wide array of synthetically useful compounds

Journal of the American Chemical Society published new progress about 608534-44-7. 608534-44-7 belongs to alcohols-buliding-blocks, auxiliary class Other Aromatic,Boronic acid and ester,Boronate Esters,Boronic Acids,Boronic acid and ester, name is 2-(2,3-Dihydro-1H-inden-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, and the molecular formula is C14H12O2, Recommanded Product: 2-(2,3-Dihydro-1H-inden-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Lu, Xin-li published the artcileDetermination of 2-keto-l-gulonic acid in fermented broth by flow injection chemiluminescence, Synthetic Route of 526-98-7, the publication is Guangpu Shiyanshi (2013), 30(4), 1714-1717, database is CAplus.

A simple, rapid, accurate and sensitive method of flow injection chemiluminescence was developed for the determination of 2-keto-L-gulonic acid (2-KLG) in fermented broth. This method was based on enhance effect of 2-KLG on the chemiluminescence reaction between rhodamine B and potassium permanganate in acid medium. The optimized exptl. conditions were evaluated. Under the optimum conditions, calibration curve over the range of 0.2-60 mg·L^-1 was obtained. The detection limit of this method was 0.04 g·L^-1. The relative standard deviation was 3.4% for 2.0 mg·L^-1 2-KLG. The method is applied to the determination of studied 2-KLG in fermented broth with a satisfied result.

Guangpu Shiyanshi published new progress about 526-98-7. 526-98-7 belongs to alcohols-buliding-blocks, auxiliary class Sugar Units,Other Sugar Units, name is (3S,4R,5S)-3,4,5,6-Tetrahydroxy-2-oxohexanoic acid, and the molecular formula is C6H10O7, Synthetic Route of 526-98-7.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Zhang, Chong published the artcileMultiple Responsive CPL Switches in an Enantiomeric Pair of Perovskite Confined in Lanthanide MOFs, Application In Synthesis of 96-20-8, the publication is Advanced Materials (Weinheim, Germany) (2022), 34(11), 2109496, database is CAplus and MEDLINE.

Circularly polarized luminescence (CPL) switches have attracted widespread attention due to their potential applications in advanced information technologies. However, the design and fabrication of solid-state multiple-responsive CPL switches remain challenging. Here, through self-assembly of chiral metal-organic frameworks (MOFs) and perovskite nanocrystals (NCs), a pair of crystalline enantiomeric (P)-(+)/(M)-(-)-EuMOF⊃MAPbX3 (MA = CH3NH3+, X = Cl-, Br-, I-) adducts is prepared, where the achiral MAPbBr3 perovskite NCs embedded into chiral MOFs inherit the chirality of host MOFs by host-guest EuBr and PbO coordination bonds, which is demonstrated by synchrotron-radiation-based X-ray absorption spectroscopy. The chiral adducts show enhanced photoluminescence quantum yield (PLQY), good thermal stability of CPL in air, and photoswitchable CPL properties upon altering different UV irradiation Based on two chiral emission centers and their different characteristics, reversible CPL switches are realized upon a diversity of external stimuli, for example, chems. (water /CH3NH3Br solution) or temperatures (room temperature/high temperature). Benefiting from the extraordinary stimuli-responsive and highly reversible switchable CPL, multiple information encryptions and decryptions integrated with CPL, together with a chiroptical logic gate are successfully designed. This work opens a new avenue to generally fabricate solid-state CPL composite materials and develops new applications based on switchable CPL.

Advanced Materials (Weinheim, Germany) published new progress about 96-20-8. 96-20-8 belongs to alcohols-buliding-blocks, auxiliary class Amine,Aliphatic hydrocarbon chain,Alcohol, name is 2-Aminobutan-1-ol, and the molecular formula is C9H7NO4, Application In Synthesis of 96-20-8.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Chen, Yanhong published the artcileIdentification of novel and selective non-peptide inhibitors targeting the polo-box domain of polo-like kinase 1, Synthetic Route of 1379356-00-9, the publication is Bioorganic Chemistry (2018), 278-288, database is CAplus and MEDLINE.

A series of non-peptide inhibitors targeting the polo-box domain (PBD) of polo-like kinase 1 (Plk1) was designed based on the potent and selective minimal tripeptide Plk1 PBD inhibitor. Seven compounds were designed, synthesized and evaluated for fluorescence polarization (FP) assay. The most promising compound 10 bound to Plk1 PBD with IC₅₀ of 3.37 μM and had no binding to Plk2 PBD or Plk3 PBD at 100 μM. Mol. docking study was performed and possible binding mode was proposed. MM/GBSA binding free energy calculation were in agreement with the observed exptl. results. These novel non-peptide selective Plk1 PBD inhibitors provided new lead compounds for further optimization.

Bioorganic Chemistry published new progress about 1379356-00-9. 1379356-00-9 belongs to alcohols-buliding-blocks, auxiliary class Amine,Benzene,Alcohol, name is 2-(3-(Aminomethyl)phenyl)ethanol, and the molecular formula is C9H13NO, Synthetic Route of 1379356-00-9.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts