Tag: M.W=150-200

Yao, Yu published the artcileUPLC-MS/MS method for the determination of the herb composition of Tangshen formula and the in vivo pharmacokinetics of its metabolites in rat plasma, SDS of cas: 104-01-8, the main research area is Tangshen formula herb plasma metabolite pharmacokinetics UPLC MS; LC-MS/MS; Thermo Q Exactive™ Plus Orbitrap™ mass spectrometer; chemical constituents; pharmacokinetics; traditional Chinese medicines.

Tangshen formula (TSF) is a traditional Chinese medicine composed of seven medicinal herbs including Astragalus membranaceus, Rehmannia glutinosa Libosch, Citrus aurantium L., etc. which is used to treat diabetic nephropathy III, IV qi and yin deficiency and stasis syndrome. Most of the studies on TSF are pharmacol. and pharmacodynamic experiments There are few basic studies on its chem. substances, and the effective constituents are not clear. To analyze the main chem. components of TSF and the absorbed components in rat plasma following oral administration based on liquid chromatog. tandem mass spectrometry (LC-MS/MS). Moreover, providing a rapid and valid anal. strategy for simultaneous determination of six components in rat plasma and use it in pharmacokinetic studies. A total of 132 components were identified in TSF, and 44 components were identified in rat plasma after oral TSF, 35 of which were prototype components and nine were metabolic components. A sensitive and reliable LC-MS/MS method was developed for simultaneous determination of six components in rat plasma. The intra-day and inter-day precision relative standard deviation (RSD) was lower than 15%; the accuracy of low, medium and high concentrations ranged from 80% to 120%. The recovery met the requirements and the RSD of the recoveries was less than 15%. A total of 132 components were identified in TSF. The LC-MS/MS quant. method for the simultaneous determination of morroniside, loganin, notoginsenoside R1, ginsenoside Re, ginsenoside Rb1 and astragaloside IV in rat plasma was established for the first time. The pharmacokinetic parameters are clarified, which can guide the clin. medication of TSF.

Phytochemical Analysis published new progress about Arthrogryposis-renal dysfunction-cholestasis syndrome. 104-01-8 belongs to class isoquinoline, name is 4-Methoxyphenylacetic acid, and the molecular formula is C9H10O3, SDS of cas: 104-01-8.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Porey, Arka published the artcileHydrogen-Bonding Assisted Catalytic Kinetic Resolution of Acyclic β-Hydroxy Amides, COA of Formula: C9H10O3, the main research area is acylaminoalkyl ester hydroxyamide kinetic resolution nonracemic preparation; indenooxazinotriazolylidene catalyst oxidative kinetic resolution hydroxyamide cinnamaldehyde; NHCs; enantioselectivity; hydrogen bonding; kinetic resolution; β-hydroxy amides.

Enantioenriched acyclic α-substituted β-hydroxy amides are valuable compounds in chem., material and medicinal sciences, but their enantioselective synthesis remains challenging. A catalytic kinetic resolution (KR) of such amides with selectivity factor(s) up to >200 is developed via enantioselective acylation of primary alc. with a cinnamaldehyde in the presence of an N-heterocyclic carbene. An enhanced selectivity for the catalytic KR process is realized using cyclic tertiary amine as base additive. Diastereomeric transition state models for the process are proposed to rationalize the origin of enantioselectivity.

Angewandte Chemie, International Edition published new progress about Enantioselective synthesis. 104-01-8 belongs to class isoquinoline, name is 4-Methoxyphenylacetic acid, and the molecular formula is C9H10O3, COA of Formula: C9H10O3.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Li, Guangzhe published the artcileStructure-activity relationships study of neolamellarin A and its analogues as hypoxia inducible factor-1 (HIF-1) inhibitors, Computed Properties of 104-01-8, the main research area is neolamellarin A derivative preparation HIF1 inhibitory activity SAR; Anti-tumor; Hypoxia inducible factor (HIF)-1; Marine alkaloids; Neolamellarin A; Structure-activity relationship.

The novel marine pyrrole alkaloid neolamellarin A derived from sponge has been shown to inhibit hypoxia-induced HIF-1 activity. In this work, we designed and synthesized neolamellarin A (I) and its series of derivatives by a convergent synthetic strategy. The HIF-1 inhibitory activity and cytotoxicity of these compounds were evaluated in Hela cells by dual-luciferase reporter gene assay and MTT assay, resp. The results showed that neolamellarin A (IC50 = 10.8 ± 1.0 μM) and compound II (IC50 = 11.9 ± 3.6 μM) had the best HIF-1 inhibitory activity and low cytotoxicity. Our SAR research focused on the effects of key regions aliphatic carbon chain length, aromatic ring substituents and C-7 substituent on biol. activity, providing a basis for the subsequent research on the development of novel pyrrole alkaloids as HIF-1 inhibitors and design of small mol. probes for target protein identification.

Bioorganic & Medicinal Chemistry Letters published new progress about Antitumor agents. 104-01-8 belongs to class isoquinoline, name is 4-Methoxyphenylacetic acid, and the molecular formula is C9H10O3, Computed Properties of 104-01-8.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Zhao, Yujun; Bai, Longchuan; Liu, Liu; McEachern, Donna; Stuckey, Jeanne A.; Meagher, Jennifer L.; Yang, Chao-Yie; Ran, Xu; Zhou, Bing; Hu, Yang; Li, Xiaoqin; Wen, Bo; Zhao, Ting; Li, Siwei; Sun, Duxin; Wang, Shaomeng published the artcile< Structure-Based Discovery of 4-(6-Methoxy-2-methyl-4-(quinolin-4-yl)-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethylisoxazole (CD161) as a Potent and Orally Bioavailable BET Bromodomain Inhibitor>, Safety of Isoquinolin-8-ylboronic acid, the main research area is quinolinyl pyrimidoindolyl dimethylisoxazole preparation oral BET bromodomain inhibitor.

A series of 9H-pyrimido[4,5-b]indole-containing compounds was designed and synthesized to obtain potent and orally bioavailable BET inhibitors. By incorporation of an indole or a quinoline moiety to the 9H-pyrimido[4,5-b]indole core, we identified a series of small mols. showing high binding affinities to BET proteins and low nanomolar potencies in inhibition of cell growth in acute leukemia cell lines. One such compound, 4-(6-methoxy-2-methyl-4-(quinolin-4-yl)-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethylisoxazole (I) has excellent microsomal stability and good oral pharmacokinetics in rats and mice. Orally administered, I achieves significant antitumor activity in the MV4;11 leukemia and MDA-MB-231 triple-neg. breast cancer xenograft models in mice. Determination of the cocrystal structure of I with BRD4 BD2 provides a structural basis for its high binding affinity to BET proteins. Testing its binding affinities against other bromodomain-containing proteins shows that I is a highly selective inhibitor of BET proteins. These data show that I is a potent, selective, and orally active BET inhibitor.

Journal of Medicinal Chemistry published new progress about Antitumor agents. 721401-43-0 belongs to class isoquinoline, and the molecular formula is C9H8BNO2, Safety of Isoquinolin-8-ylboronic acid.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Pan, Yang; Li, Jiangtao; Li, Zhefeng; Huang, Feng; Ma, Xiaofeng; Jiao, Wei; Shao, Huawu published the artcile< An efficient and facile strategy for trifluoromethylation and perfluoroalkylation of isoquinolines and heteroarenes>, Product Details of C10H9NO, the main research area is trifluoromethyl heteroarene preparation regioselective; heteroarene trimethyltrifluoromethylsilane trifluoromethylation; perfluoroalkyl heteroarene preparation regioselective; trimethyltrifluoroalkylsilane heteroarene perfluoroalkylation.

An effective and regioselective strategy for trifluoromethylation and perfluoroalkylation of isoquinolines I (R1 = OMe, Ph, Br, etc.; R2 = H, formyl, OMe, NO2; R3 = Me, 2-phenylethynyl, Cl, etc.; R4 = H, OMe; R5 = H, Ph, Br) and heteroarenes R6H (R6 = phenanthridin-6-yl, thieno[2,3-c]pyridin-7-yl, quinazolin-2-yl, etc.) was developed. By combination of TMSCnF2n+1 (n = 1, 2, 3) with PIFA, the method achieved the corresponding perfluoroalkylated products R6CnF2n+1 (n = 1, 2, 3) with broad functional group tolerance.

Chemical Communications (Cambridge, United Kingdom) published new progress about Density functional theory, B3LYP. 90806-58-9 belongs to class isoquinoline, and the molecular formula is C10H9NO, Product Details of C10H9NO.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Huang, Cheng; Qiao, Jia; Ci, Rui-Nan; Wang, Xu-Zhe; Wang, Yang; Wang, Jing-Hao; Chen, Bin; Tung, Chen-Ho; Wu, Li-Zhu published the artcile< Quantum dots enable direct alkylation and arylation of allylic C(sp3)-H bonds with hydrogen evolution by solar energy>, Category: isoquinoline, the main research area is alkene amine preparation quantum dot photocatalyst cross coupling alkylation; heteroarene alkene quantum dot photocatalyst arylation; cadmium sulfide quantam dot preparation; quantum dot cadmium selenide preparation.

A general and mild strategy using semiconductor quantum dots (QDs) as photocatalysts for coupling a broad range of available allylic C(sp3)-H bonds with α-amino C-H bonds or heteroarenes, resp., under sunlight irradiation (> 85 examples) was reported. The protocol bypasses stoichiometric oxidant or reductant and pre-functionalization of both the coupling partners and produces hydrogen (H2) as the byproduct. The outstanding efficiency and selectivity and step- and atom-economy represents the first direct alkylation and arylation of allylic C(sp3)-H bonds with hydrogen evolution powered by solar energy.

Chem published new progress about Alkenes Role: RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation). 90806-58-9 belongs to class isoquinoline, and the molecular formula is C10H9NO, Category: isoquinoline.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Liu, Shihui; Pan, Peng; Fan, Huaqiang; Li, Hao; Wang, Wei; Zhang, Yongqiang published the artcile< Photocatalytic C-H silylation of heteroarenes by using trialkylhydrosilanes>, Safety of 5-Methoxyisoquinoline, the main research area is photocatalytic silylation heteroarene hydrosilane green chem.

The efficient and selective C-H silylation of heteroarenes, especially the pharmaceutically relevant electron-deficient heteroarenes, represents a great challenge in organic synthesis. Herein we wish to report a distinctive visible light-promoted photocatalytic C-H silylation approach that enables the direct coupling of trialkylhydrosilanes with both electron-deficient and -rich heteroarenes as well as with cyano-substituted arenes in moderate to high yields and with good regioselectivity. The protocol features operational simplicity, mild reaction conditions, and the use of safe and readily available Na2S2O8, bis(trimethylsilyl) peroxide (BTMSPO) or iPr3SiSH as the radical initiators. Notably, the challenging bulky and inert trialkylhydrosilanes, such as (t-butyldimethyl)silane (tBuMe2SiH) and (triisopropyl)silane (iPr3SiH), work smoothly with the protocol. Moreover, despite the higher stability of tBuMe2Si silylation products, our studies revealed their great reactivity and versatility in diverse C-Si-based chem. transformations, providing an operationally simple, low-cost, and environmentally benign synthetic technol. for mol. construction and elaboration.

Chemical Science published new progress about Green chemistry. 90806-58-9 belongs to class isoquinoline, and the molecular formula is C10H9NO, Safety of 5-Methoxyisoquinoline.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Dong, Jianyang; Wang, Xiaochen; Song, Hongjian; Liu, Yuxiu; Wang, Qingmin published the artcile< Photoredox-Catalyzed Redox-Neutral Minisci C-H Formylation of N-Heteroarenes>, Recommanded Product: 5-Methoxyisoquinoline, the main research area is heteroarene dioxoisoindolinyl diethoxyacetate iridium photocatalyst regioselective Minisci formylation; formyl heteroarene preparation.

A protocol for redox-neutral Minisci C-H formylation of N-heteroarenes using 1,3-dioxoisoindolin-2-yl 2,2-diethoxyacetate as a formyl equivalent at room temp was reported. This scalable benchtop protocol offered a distinct advantage over traditional reductive carbonylation and Minisci C-H formylation methods in not requiring the use of carbon monoxide, pressurized gas, a stoichiometric reductant, or a stoichiometric oxidant.

Advanced Synthesis & Catalysis published new progress about Aromatic nitrogen heterocycles Role: RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation). 90806-58-9 belongs to class isoquinoline, and the molecular formula is C10H9NO, Recommanded Product: 5-Methoxyisoquinoline.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Liao, Lan-Shan; Tan, Lin-Jie; Chen, Yin; Yang, Qi-Yuan; Choudhary, Muhammad Iqbal; Pan, Ying-Ming; Tang, Hai-Tao; Su, Gui-Fa; Liang, Hong; Chen, Zhen-Feng published the artcile< One-pot synthesis of oxoaporphines as potent antitumor agents and investigation of their mechanisms of actions>, Reference of 721401-43-0, the main research area is oxoporphine derivative preparation antitumor agents; Antitumor activity; Apoptosis; Cell cycle; Oxoaporphine.

An efficient one-pot reaction for the synthesis of oxoaporphine alkaloids has been developed. Twenty-three compounds of oxoaporphine alkaloids were prepared and assessed for their antitumor activities. Most compounds inhibited the growth of T-24 tumor cells in vitro. Particularly, I displayed the most potent activity with an IC50 value of 0.5μM, which was 19-fold more potent than the parent compound 4. The substitution at C3-position of oxoaporphine core by -NO2 significantly enhanced the anticancer activity. Mechanism studies indicated that II and I induced cell cycle arrest at G2/M phase; in contrast, III induced cell cycle arrest at the S phase. Increase of mitochondrial ROS/Ca2+ and decrease of MMP, accompanied by activation of caspase-3/9, were observed in T-24 cells after exposure to compounds I, II and III, suggesting that the mitochondrial pathway was involved in the induced apoptosis. Moreover, compound I effectively inhibited tumor growth in a mouse xenograft model bearing T-24.

European Journal of Medicinal Chemistry published new progress about Alkaloids Role: PAC (Pharmacological Activity), SPN (Synthetic Preparation), BIOL (Biological Study), PREP (Preparation). 721401-43-0 belongs to class isoquinoline, and the molecular formula is C9H8BNO2, Reference of 721401-43-0.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Cheng, Yunfeng; Ni, Nanting; Yang, Wenqian; Wang, Binghe published the artcile< A New Class of Fluorescent Boronic Acids That Have Extraordinarily High Affinities for Diols in Aqueous Solution at Physiological pH>, Application of C9H8BNO2, the main research area is fluorescent boronate high affinity diol aqueous solution physiol pH.

The boronic acid group is an important recognition moiety for sensor design. Herein, the authors report a series of isoquinolinylboronic acids that have extraordinarily high affinities for diol-containing compounds at physiol. pH. In addition, 5- and 8-isoquinolinylboronic acids also showed fairly high binding affinities towards D-glucose (Ka=42 and 46 M-1, resp.). For the first time, weak but encouraging binding of cis-cyclohexanediol was found for these boronic acids. Such binding was coupled with significant fluorescence changes. Furthermore, 4- and 6-isoquinolinylboronic acids also showed the ability to complex Me α-D-glucopyranose (Ka=3 and 2 M-1, resp.).

Chemistry – A European Journal published new progress about Affinity. 721401-43-0 belongs to class isoquinoline, and the molecular formula is C9H8BNO2, Application of C9H8BNO2.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem