Author: tianli

Zhu, Bin published the artcileStable Cocrystals and Salts of the Antineoplastic Drug Apatinib with Improved Solubility in Aqueous Solution, Computed Properties of 86-48-6, the publication is Crystal Growth & Design (2018), 18(8), 4701-4714, database is CAplus.

Apatinib (APA) belongs to the targeted antineoplastic family of drugs by inhibiting the vascular endothelial cell growth factor receptor (VEGFR-2) of tyrosine kinase. APA encounters poor aqueous solubility problems, and its therapeutic dosage form, Apatinib mesylate (ATM), is unstable and dissociates completely to APA in aqueous solution Here, we synthesized and evaluated three new cocrystals of APA with adipic acid (APA + ADA), sebacic acid (APA + SEA), and D/L-mandelic acid (APA + D/L-MA), and four new salts with succinic acid (APA + SUA-H₂O), salicylic acid (APA + SA), 1-hydroxy-2-naphthoic acid (APA + HNA), and saccharin (APA + SAC). All the solid forms were characterized by powder X-ray diffraction, IR spectroscopy, differential scanning calorimetry, and dynamic vapor sorption. The mol. components and structures were confirmed by single crystal X-ray diffraction. APA + SEA is able to overcome the instability problem and has improved solubility compared with ATM. Hence, APA + SEA has the potential to be a superior candidate for this important drug.

Crystal Growth & Design published new progress about 86-48-6. 86-48-6 belongs to alcohols-buliding-blocks, auxiliary class Organic Pigment,Natural product, name is 1-Hydroxy-2-naphthoic acid, and the molecular formula is C6H8N2, Computed Properties of 86-48-6.

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

Yang, Songge published the artcileImpact of four kinds of alkanolamines on hydration of steel slag-blended cementitious materials, HPLC of Formula: 122-20-3, the publication is Construction and Building Materials (2017), 655-666, database is CAplus.

The impact on hydration of four kinds of alkanolamines (triethanolamine (TEA), triisopropanolamine (TIPA), diethanol-isopropanolamine (DEIPA) and methyldiethanolamine (MDEA)) in a steel slag cementitious system was reviewed. Isothermal calorimetry studies provided information on the hydration heat release rate and the cumulative energy released by blend cement systems. Mortar strength, quant. X-ray diffractometry, mercury intrusion pore size distribution anal., SEM and thermogravimetric anal. were used to analyze the mechanism of strength enhancement and micro-structure of hydrates that were impacted by alkanolamines. Alkanolamines prolonged the hydrated induction period in the steel slag-cement system, and enhanced the second exothermic peak of hydration at dosages of 0.01%, 0.03% and 0.05%. The second hydration rate was decreased by TEA, DEIPA and MDEA, and increased by TIPA at alkanolamine dosages of 0.1% and 0.2%. The compressive strength and non-evaporable water content were enhanced by the four types of alkanolamines (dosage of 0.03%) at 3 d, 7 d and 28 d, which allowed TEA and DEIPA to contribute to strength development and the hydration reaction over TIPA and MDEA. The CH content, porosity and pore size were decreased by alkanolamines at different ages. Alkanolamines promoted the formation of ettringite and an alumina-ferric oxide-monosulfate phase, and the C-S-H morphol. was also changed by different kinds of alkanolamines.

Construction and Building Materials published new progress about 122-20-3. 122-20-3 belongs to alcohols-buliding-blocks, auxiliary class Organic Pigment, name is Triisopropanolamine, and the molecular formula is C19H14Cl2, HPLC of Formula: 122-20-3.

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

Wang, Xueli published the artcileEffect of amino-ternary alcohol on hydration of blend cementitious system with steel slag and granulated blast furnace slag, Recommanded Product: Triisopropanolamine, the publication is Guisuanyan Xuebao (2017), 45(2), 206-211, database is CAplus.

The influence of amino-ternary alc. (ATA) on the strength development and hydration of composited cementitious system incorporated with steel slag-granulated blast furnace slag (GBFS) was investigated. The mech. and hydration properties of steel slag-GBFS blend cementitious system in the presence of triethanolamine (TEA), triisopropanolamine (TIPA) and diethanol-isopropanolamine (DEIPA) were analyzed by mortar experiment, hydration heat release, X-ray diffraction (XRD), differential scanning calorimetry-thermogravimetry (DSC-TG) and SEM (SEM), resp. The results show that the promoting effect of ATA on the hydration of steel slag-GBFS cementitious system is related to the numbers of Me on the branched chain of ATA. A few numbers of Me can favor the strength development. The compressive strength of blend cementitious system is promoted by ATA, among which TEA leads to the maximum compressive strength at different ages. The addition of ATA can enhance the hydration of steel slag and GBFS via increasing the heat flow at early age and decreasing the content of portlandite (CH) to form a more compacted structure. The addition of ATA has a pos. effect on the strength development of composited cementitious system.

Guisuanyan Xuebao published new progress about 122-20-3. 122-20-3 belongs to alcohols-buliding-blocks, auxiliary class Organic Pigment, name is Triisopropanolamine, and the molecular formula is C37H30ClIrOP2, Recommanded Product: Triisopropanolamine.

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

Zheng, Sheng published the artcileProdrug polymeric micelles integrating cancer-associated fibroblasts deactivation and synergistic chemotherapy for gastric cancer, HPLC of Formula: 4410-99-5, the publication is Journal of Nanobiotechnology (2021), 19(1), 381, database is CAplus and MEDLINE.

The prognosis of patients with advanced gastric cancer (GC) remains unsatisfactory owing to distant metastasis and resistance to concurrent systemic therapy. Cancer-associated fibroblasts (CAFs), as essential participators in the tumor microenvironment (TME), play a vital role in tumor progression. Thus, CAFs-targeting therapy is appealing for remodeling TME and sensitizing GC to conventional systemic therapy. Amphiphilic SN38 prodrug polymeric micelles (PSN38) and encapsulated the hydrophobic esterase-responsive prodrug of Triptolide (TPL), triptolide-naphthalene sulfonamide (TPL-nsa), were synthesized to form PSN38@TPL-nsa nanoparticles. Then, CAFs were isolated from fresh GC tissues and immortalized. TPL at low dose concentration was used to investigate its effect on CAFs and CAFs-induced GC cells proliferation and migration. The synergistic mechanism and antitumor efficiency of SN38 and TPL co-delivery nanoparticle were investigated both in vitro and in vivo. Fibroblast activation protein (FAP), a marker of CAFs, was highly expressed in GC tissues and indicated poorer prognosis. TPL significantly reduced CAFs activity and inhibited CAFs-induced proliferation, migration and chemotherapy resistance of GC cells. In addition, TPL sensitized GC cells to SN38 treatment through attenuated NF-κB activation in both CAFs and GC cells. PSN38@TPL-nsa treatment reduced the expression of collagen, FAP, and α-smooth muscle actin (α-SMA) in tumors. Potent inhibition of primary tumor growth and vigorous anti-metastasis effect were observed after systemic administration of PSN38@TPL-nsa to CAFs-rich peritoneal disseminated tumor and patient-derived xenograft (PDX) model of GC. TPL suppressed CAFs activity and CAFs-induced cell proliferation, migration and chemotherapy resistance to SN38 of GC. CAFs-targeted TPL and SN38 co-delivery nanoparticles exhibited potent efficacy of antitumor and reshaping TME, which was a promising strategy to treat advanced GC.

Journal of Nanobiotechnology 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 C9H4F6O, HPLC of Formula: 4410-99-5.

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

Yuan, Bin published the artcileActivatable Photosensitizer for Smart Photodynamic Therapy Triggered by Reactive Oxygen Species in Tumor Cells, Recommanded Product: 4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-ol, the publication is ACS Applied Materials & Interfaces (2020), 12(24), 26982-26990, database is CAplus and MEDLINE.

Photodynamic therapy (PDT) is a promising approach for the treatment of different kinds of cancers as well as some other diseases. By combining spatiotemporal light irradiation with photosensitizers (PS), PDT can be easily controlled by tuning illumination time and sites of irradiation However, how to reduce the phototoxicity of the PS to normal cells without sacrificing its effectiveness to cancer cells is still a challenge. Herein, we put forward a deactivation and reactivation strategy for PDT to reduce the undesired damage to normal cells under light irradiation First, by chem. modification of meso-(4-pyridinyl)-substitution BODIPY with phenylboronic acid pinacol ester moiety, the masked PS ProBODIPY-2I with low generation efficiency of singlet oxygen and good water solubility can be obtained. Moreover, ProBODIPY-2I can be reactivated at tumor microenvironment by reactive oxygen species (ROS), resuming their PDT efficiency. Meanwhile, ProBODIPY-2I showed low phototoxicity for the normal cells, due to the relatively low concentration of ROS. In this way, the safety and selectivity for the PDT can be greatly improved. It is anticipated that some other tumor biomarkers, such as proton, GSH and enzymes, can be employed for the smart PDT methods.

ACS Applied Materials & Interfaces published new progress about 25240-59-9. 25240-59-9 belongs to alcohols-buliding-blocks, auxiliary class Boronic acid and ester,Boronic Acids,Boronate Esters, name is 4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-ol, and the molecular formula is C17H20ClN3, Recommanded Product: 4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-ol.

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

Feng, Xiya published the artcileDiscrimination and characterization of the volatile organic compounds in eight kinds of huajiao with geographical indication of China using electronic nose, HS-GC-IMS and HS-SPME-GC-MS, Synthetic Route of 106-25-2, the publication is Food Chemistry (2022), 131671, database is CAplus and MEDLINE.

Huajiao (Zanthoxylum bungeanum maxim. and Zanthoxylum armatum DC.) is a highly prized spice in China due to its distinctive aroma and taste. The volatile organic compounds (VOCs) of eight kinds of red and green huajiao which varied according to geog. indication of P. R. China were evaluated by electronic nose (E-nose), headspace solid-phase microextraction-gas chromatog.-mass spectrometry (HS-SPME-GC-MS) and headspace-gas chromatog.-ion mobility spectrometry (HS-GC-IMS). Results showed that red huajiao emitted more terpenes, esters, and fewer alcs. than green huajiao. Partial least squares-discriminant anal. based on GC-MS and GC-IMS data was revealed a good classifying tool for huajiao from different original habitats. Four and eight aroma substances were selected as the potential markers by the variable importance in projection (VIP) variable selection method, resp. The results of the current study provide a useful basis in the huajiao aroma difference study. Addnl., a rapid huajiao aroma anal. method using GC-IMS was developed.

Food Chemistry published new progress about 106-25-2. 106-25-2 belongs to alcohols-buliding-blocks, auxiliary class Natural product, name is cis-3,7-Dimethyl-2,6-Octadien-1-Ol, and the molecular formula is C10H18O, Synthetic Route of 106-25-2.

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

Wang, Shuo published the artcileStructure-activity relationship study of dihydroartemisinin C-10 hemiacetal derivatives as Toll-like receptor 4 antagonists, Formula: C5H12O2, the publication is Bioorganic Chemistry (2021), 105107, database is CAplus and MEDLINE.

Dihydroartemisinin (DHA), a natural product isolated from the traditional Chinese herb Artemisia annua and one of the clin. frontline drugs against malarial infections, has recently been discovered as a Toll-like Receptor 4 (TLR4) antagonist. However, the TLR4 antagonistic activity of DHA is modest and it exhibits cellular toxicity. In this work, the structure-activity relationship (SAR) of DHA as TLR4 antagonist was explored. Since destroying the sesquiterpene endoperoxide scaffold substantially compromised the TLR4 antagonistic activity and mol. dynamics anal. showed that the C-10 hydroxyl group formed a hydrogen bond with E72 of myeloid differentiation factor 2 (MD2) to prevent it moving deeper into MD2, SAR of DHA was focused on the C-10 hemiacetal position. With extending the length of the linear alkane chain at C10 position, the TLR4 antagonistic activity of DHA analogs increased first and then decreased with the best TLR4 antagonism occurring at the length of the carbon chain of 3-4 carbons. In contrast, the cellular toxicity of DHA analogs was raised with the increasing length of the linear alkane chain. The TLR4 antagonistic activity of DHA derivatives with substituted halogen as the terminal functional group decreased with the decrease of electronegativity of the substituted halogen, which implies the electron-rich functional group at the end of the alkane chain appears preferred. Therefore, DHA derivative 2k with alkynyl as the end functional group, exhibited 14 times more potent TLR4 antagonistic activity than DHA. Moreover, 2k showed less cellular toxicity than DHA. Cellular signaling characterizations indicated that 2k inhibited LPS-induced TLR4 dimerization and endocytosis and suppressed LPS-induced NF-κB but not MAPKs activation, culminating in blocking LPS-induced TLR4 signaling downstream pro-inflammatory factors NO and IL-1β. Further, 2k was active in vivo; it significantly increased and prolonged morphine analgesia. Collectively, this study provides a structural guidance to reposition DHA derivatives as TLR4 antagonists.

Bioorganic Chemistry published new progress about 111-29-5. 111-29-5 belongs to alcohols-buliding-blocks, auxiliary class Aliphatic hydrocarbon chain,Alcohol,Ploymers, name is Pentane-1,5-diol, and the molecular formula is C12H20O6, Formula: C5H12O2.

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

Zhang, Xiao-Ru published the artcileDiscovery, Synthesis, and Evaluation of Oxynitidine Derivatives as Dual Inhibitors of DNA Topoisomerase IB (TOP1) and Tyrosyl-DNA Phosphodiesterase 1 (TDP1), and Potential Antitumor Agents, Recommanded Product: 2-Morpholinoethanol, the publication is Journal of Medicinal Chemistry (2018), 61(22), 9908-9930, database is CAplus and MEDLINE.

Tyrosyl-DNA phosphodiesterase 1 (TDP1) is a recently discovered enzyme repairing DNA lesions resulting from stalled topoisomerase IB (TOP1)-DNA covalent complex. Inhibiting TDP1 in conjunction with TOP1 inhibitors can boost the action of the latter. Herein, we report the discovery of the natural product oxynitidine scaffold as a novel chemotype for the development of TOP1 and TDP1 inhibitors. Three kinds of analogs, benzophenanthridinone, dihydrobenzophenanthridine, and benzophenanthridine derivatives, were synthesized and evaluated for both TOP1 and TDP1 inhibition and cytotoxicity. Benzophenanthridinone I showed high TOP1 inhibition (+++) and induced the formation of cellular TOP1cc and DNA damage, resulting in cancer cells apoptosis at nanomolar concentration range. In vivo studies indicated that I exhibits antitumor efficiency in HCT116 xenograft model. Benzophenanthridine II exhibited addnl. TDP1 inhibition with IC₅₀ value of 7 μM and synergistic effect with camptothecin in MCF-7 cells. This work will facilitate future efforts for the discovery of natural product-based TOP1 and TDP1 inhibitors.

Journal of Medicinal Chemistry published new progress about 622-40-2. 622-40-2 belongs to alcohols-buliding-blocks, auxiliary class Morpholine,Alcohol, name is 2-Morpholinoethanol, and the molecular formula is C5H10OS, Recommanded Product: 2-Morpholinoethanol.

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

Sun, Shanshan published the artcileSalicylate and phthalate pathways contributed differently on phenanthrene and pyrene degradations in Mycobacterium sp. WY10, Category: alcohols-buliding-blocks, the publication is Journal of Hazardous Materials (2019), 509-518, database is CAplus and MEDLINE.

Mycobacterium sp. WY10 was a highly effective PAHs-degrading bacterium that can degrade phenanthrene (PHE, 100 mg L^-1) completely within 60 h and 83% of pyrene (PYR, 50 mg L^-1) in 72 h. In this study, ten and eleven metabolites, resp., were identified in PHE and PYR degradation cultures, and a detailed PHE and PYR metabolism maps were constructed based on the metabolic results. The strain WY10 degraded PHE and PYR with initial dioxygenation mainly on 3,4- and 4,5-carbon positions, resp. Thereafter, PYR degradation entered the PHE degradation pathway via the ortho-cleavage. It was observed that the “lower pathway” of PHE and PYR degradations were different. Based on the kinetics of residual metabolites, PHE was degraded in a dominant phthalate pathway and a minor salicylate pathway. However, both phthalate and salicylate pathways played important roles on PYR degradation The WY10 genome revealed there were fifty-three genes related to PAHs degradations, including a complete gene set for PHE and PYR degradation via the phthalate pathway. The candidate gene/ORF, BOH72_19755, encoding salicylate synthase might contribute in the salicylate pathway.

Journal of Hazardous Materials published new progress about 86-48-6. 86-48-6 belongs to alcohols-buliding-blocks, auxiliary class Organic Pigment,Natural product, name is 1-Hydroxy-2-naphthoic acid, and the molecular formula is C5H10N2OS, Category: alcohols-buliding-blocks.

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

Sun, Shanshan published the artcileNon-bioavailability of extracellular 1-hydroxy-2-naphthoic acid restricts the mineralization of phenanthrene by Rhodococcus sp. WB9, Product Details of C11H8O3, the publication is Science of the Total Environment (2020), 135331, database is CAplus and MEDLINE.

Rhodococcus sp. WB9, a strain isolated from polycyclic aromatic hydrocarbons contaminated soil, degraded phenanthrene (PHE, 100 mg L^-1) completely within 4 days. 18 Metabolites were identified during PHE degradation, including 5 different hydroxyphenanthrene compounds resulted from multiple routes of initial monooxygenase attack. Initial dioxygenation dominantly occurred on 3,4-C positions, followed by meta-cleavage to form 1-hydroxy-2-naphthoic acid (1H2N). More than 95.2% of 1H2N was transported to and kept in extracellular solution without further degradation However, intracellular 1H2N was converted to 1,2-naphthalenediol that was branched to produce salicylate and phthalate. Furthermore, 131 genes in strain WB9 genome were related to aromatic hydrocarbons catabolism, including the gene coding for salicylate 1-monooxygenase that catalyzed the oxidation of 1H2N to 1,2-naphthalenediol, and complete gene sets for the transformation of salicylate and phthalate toward tricarboxylic acid (TCA) cycle. Metabolic and genomic analyses reveal that strain WB9 has the ability to metabolize intracellular 1H2N to TCA cycle intermediates, but the extracellular 1H2N can’t enter the cells, restricting 1H2N bioavailability and PHE mineralization.

Science of the Total Environment published new progress about 86-48-6. 86-48-6 belongs to alcohols-buliding-blocks, auxiliary class Organic Pigment,Natural product, name is 1-Hydroxy-2-naphthoic acid, and the molecular formula is C15H21BO2, Product Details of C11H8O3.

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