Tag: M.W=150-200

Zhou, Yan published the artcileDesign, synthesis, and evaluation of dihydropyranopyrazole derivatives as novel PDE2 inhibitors for the treatment of Alzheimer’s disease, HPLC of Formula: 939-99-1, the publication is Molecules (2021), 26(10), 3034, database is CAplus and MEDLINE.

In this study, (R)-LZ77 was obtained as a hit compound with moderate PDE2 inhibitory activity (IC₅₀ = 261.3 nM) using a high-throughput virtual screening method based on mol. dynamics. Then, 28 dihydropyranopyrazole derivatives I [R¹ = H, CH₃O, Cl; R² = H, CH₃, CH₃O, etc.; R³ = H, CH₃, C₆H₅; R⁴ = H, CH₃O, Cl, etc; R⁵ = NH₂, (CH₃)₂N; n = 1, 2, 3] and II [R⁶ = Cl, CF₃; n = 0, 2, 3] were designed and synthesized as PDE2 inhibitors. Among them, compound (+)-I [R¹ = H; R² = CH₃O; R³ = CH₃; R⁴ = CF₃; R⁵ = NH₂; n = 1] was the most potent PDE2 inhibitor, with an IC₅₀ value of 41.5 nM. The mol. docking of PDE2-(+)-I [R¹ = H; R² = CH₃O; R³ = CH₃; R⁴ = CF₃; R⁵ = NH₂; n = 1] revealed that the 4-(trifluoromethyl)benzyloxyl side chain of the compound enters the H-pocket and forms strong hydrophobic interactions with L770/L809/F862, which improves inhibitory activity. The above results may provide insight for further structural optimization of highly potent PDE2 inhibitors and may lay the foundation for their use in the treatment of AD.

Molecules published new progress about 939-99-1. 939-99-1 belongs to chlorides-buliding-blocks, auxiliary class Fluoride,Chloride,Benzyl chloride,Benzene, name is 1-(Chloromethyl)-4-(trifluoromethyl)benzene, and the molecular formula is C4H3ClN2O, HPLC of Formula: 939-99-1.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Guo, Yafei published the artcilePalladium-modified functionalized cyclodextrin as an efficient and recyclable catalyst for reduction of nitroarenes, COA of Formula: C6H3ClFNO2, the publication is RSC Advances (2016), 6(10), 7950-7954, database is CAplus.

A palladium-modified functionalized cyclodextrin (DACH-Pd-β-CD) catalytic system was synthesized and characterised. It showed high catalytic performance in the reduction of different nitroarenes to the corresponding anilines with the presence of sodium borohydride in water at room temperature The yields of the desired products were up to 99%. Furthermore, the catalyst can be easily separated and still could maintain high catalytic activity after five cycles and no leaching of Pd into solution occurred.

RSC Advances published new progress about 350-30-1. 350-30-1 belongs to chlorides-buliding-blocks, auxiliary class Fluoride,Chloride,Nitro Compound,Benzene, name is 3-Chloro-4-fluoronitrobenzene, and the molecular formula is C6H3ClFNO2, COA of Formula: C6H3ClFNO2.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Lu, Xing published the artcileCatalytic Synthesis of Functional Silicon-Stereogenic Silanes through Candida antarctica Lipase B Catalyzed Remote Desymmetrization of Silicon-Centered Diols, Related Products of chlorides-buliding-blocks, the publication is European Journal of Organic Chemistry (2013), 2013(26), 5814-5819, database is CAplus.

Si-containing diols were synthesized and used in lipase-catalyzed remote desymmetrization. E.g., reaction of 3,3′-[methyl(phenyl)silanediyl]bis(3,1-phenylene)dimethanol with acetic anhydride in CHCl₃ in the presence of Candida antarctica lipase B gave 90% yield of 3-((3-(hydroxymethyl)phenyl)(methyl)(phenyl)silyl)benzyl acetate (78% ee). This synthetic method is valuable in the construction of optically active Si-stereogenic organosilicon compounds Good enantioselectivities of the remote desymmetrization was achieved with Candida antarctica lipase B (CAL-B) (up to 90:10 er).

European Journal of Organic Chemistry published new progress about 14799-94-1. 14799-94-1 belongs to chlorides-buliding-blocks, auxiliary class Aliphatic Chain, name is Dichloro(hexyl)(methyl)silane, and the molecular formula is C7H16Cl2Si, Related Products of chlorides-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Lim, Chae Jo published the artcile4-Heteroaryl phthalazin-1(2H)-one derivatives as potent melanin concentrating hormone receptor 1 (MCH-R1) antagonists, Related Products of chlorides-buliding-blocks, the publication is Bulletin of the Korean Chemical Society (2012), 33(7), 2389-2392, database is CAplus.

The target compounds, 4-heteroaryl-2-{3-[4-(3-acetamidophenyl)piperidin-1-yl]propyl}phthalazin-1(2H)-ones, were prepared starting from 2-BrC₆H₄CO₂H in 4 steps starting via Li-halo exchange using excess BuLi, followed by acylation with appropriate heteroaroyl esters to give the corresponding 2-heteroaroylbenzoates. The key 4-heteroarylphthalazin-1(2H)-one intermediates were then generated by condensation with N₂H₄. Subsequent N-alkylation with Cl(CH₂)₃I using NaH base afforded 2-(3-chloropropyl)4-heteroarylphthalazin-1 (2H)-ones, which were transformed to the target compounds through coupling with N-[3-(4-piperidinyl)phenyl]acetamide in the presence of Na₂CO₃. The title compounds proved to be potent MCH-R1 antagonists. An extensive SAR study carried out with substances in this family containing C(4) pyridyl and 5-membered heteroaryl groups led to the identification of a 5-chlorothien-2-yl derivative as a highly potent MCH-R1 antagonist. This substance displayed good metabolic stability, no inhibition of CYP450 enzymes, and low hERG binding activity.

Bulletin of the Korean Chemical Society published new progress about 6313-54-8. 6313-54-8 belongs to chlorides-buliding-blocks, auxiliary class Pyridine,Chloride,Carboxylic acid, name is 2-Chloroisonicotinic acid, and the molecular formula is C6H4ClNO2, Related Products of chlorides-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Fang, Chao published the artcileDiscovery of heterocyclic replacements for the coumarin core of anti-tubercular FadD32 inhibitors, Computed Properties of 854778-30-6, the publication is Bioorganic & Medicinal Chemistry Letters (2018), 28(22), 3529-3533, database is CAplus and MEDLINE.

Previous work established a coumarin scaffold as a starting point for inhibition of Mycobacterium tuberculosis (Mtb) FadD32 enzymic activity. After further profiling of the coumarin inhibitor 4 revealed chem. instability, the authors discovered that a quinoline ring circumvented this instability and had the advantage of offering addnl. substitution vectors to further optimize. Ensuing SAR studies gave rise to quinoline-2-carboxamides with potent antitubercular activity. Further optimization of ADME/PK properties culminated in I that exhibited compelling in vivo efficacy in a mouse model of Mtb infection.

Bioorganic & Medicinal Chemistry Letters published new progress about 854778-30-6. 854778-30-6 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Boronic acid and ester,Benzene,Ether,Boronic Acids,Boronic acid and ester, name is (2-Chloro-3-methoxyphenyl)boronic acid, and the molecular formula is C7H8BClO3, Computed Properties of 854778-30-6.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Vallejos, Jean Claude published the artcileA new system for the reduction of 4-hydroxymandelic acids, Computed Properties of 33697-81-3, the publication is Bulletin de la Societe Chimique de France (1997), 134(1), 101-104, database is CAplus.

The authors describe a new reduction of 4-hydroxymandelic acids I (X = H, 3-Cl, 3-HO, 3-MeO), which is easy to perform with available, cheap and environmentally clean reagents. The reduction of these acids is an important method for the synthesis of (4-hydroxyphenyl)acetic acids. The new reducing system is constituted of sodium bisulfite or dithionite in catalytic quantities and formic acid in slight excess.

Bulletin de la Societe Chimique de France published new progress about 33697-81-3. 33697-81-3 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Carboxylic acid,Benzene,Phenol, name is 3-Chloro-4-hydroxyphenylacetic acid, and the molecular formula is C8H10BNO3, Computed Properties of 33697-81-3.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Tawari, Nilesh published the artcileMutagenicity prediction for nitroaromatic compounds using qstr modeling, Related Products of chlorides-buliding-blocks, the publication is International Journal of Pharmacy and Pharmaceutical Sciences (2014), 6(7), 149-157, database is CAplus.

Objective: Nitroarom. compounds are important industrial chems. widely used in the synthesis of many diverse products including drugs, dyes, polymers, pesticides and explosives. However, the mutagenicity associated with nitroarom. compounds is a toxicol. feature which poses great concern. On the other hand, there are successful examples of non-mutagenic nitroarom. mols.; indicating that safer nitroarom. compounds can be developed. In this light the aim of the present work was to predict the mutagenicity of nitroarom. compounds using an atom based QSTR model. Methods: An atom based QSTR model was developed using PHASE. In addition, mols. were studied by complete geometry optimization using DFT at B3LYP/3-21G* level of theory. Results: An atom based QSTR model was generated for prediction of mutagenicity of the compounds Conclusion: The visualization of different properties highlighted key inferences. These include the likelihood of mutagenicity for the mols. with more fused planar hydrophobic rings having hydrogen bond acceptor and electron donating substitutions. Also, all highly mutagenic compounds have two or more neg. potential regions. Specific electronic properties such as HOMO and LUMO indicate that most of the mutagenic mols. are very reactive in nature. The results of this study would be useful as a predictive tool to screen out mutagenic nitroarenes and design safer non-mutagenic nitro compounds

International Journal of Pharmacy and Pharmaceutical Sciences published new progress about 350-30-1. 350-30-1 belongs to chlorides-buliding-blocks, auxiliary class Fluoride,Chloride,Nitro Compound,Benzene, name is 3-Chloro-4-fluoronitrobenzene, and the molecular formula is C2H8Cl2N4S2, Related Products of chlorides-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Joyce, M. Gordon published the artcileCprK Crystal Structures Reveal Mechanism for Transcriptional Control of Halorespiration, Category: chlorides-buliding-blocks, the publication is Journal of Biological Chemistry (2006), 281(38), 28318-28325, database is CAplus and MEDLINE.

Halorespiration is a bacterial respiratory process in which haloorg. compounds act as terminal electron acceptors. This process is controlled at transcriptional level by CprK, a member of the ubiquitous CRP-FNR family. Here we present the crystal structures of oxidized CprK in presence of the ligand ortho-chlorophenolacetic acid and of reduced CprK in absence of this ligand. These structures reveal that highly specific binding of chlorinated, rather than the corresponding non-chlorinated, phenolic compounds in the NH₂-terminal β-barrels causes reorientation of these domains with respect to the central α-helix at the dimer interface. Unexpectedly, the COOH-terminal DNA-binding domains dimerize in the non-DNA binding state. We postulate the ligand-induced conformational change allows formation of interdomain contacts that disrupt the DNA domain dimer interface and leads to repositioning of the helix-turn-helix motifs. These structures provide a structural framework for further studies on transcriptional control by CRP-FNR homologs in general and of halorespiration regulation by CprK in particular.

Journal of Biological Chemistry published new progress about 33697-81-3. 33697-81-3 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Carboxylic acid,Benzene,Phenol, name is 3-Chloro-4-hydroxyphenylacetic acid, and the molecular formula is C8H7ClO3, Category: chlorides-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Liu, Jiwen published the artcileDiscovery of AMG 853, a CRTH2 and DP Dual Antagonist, Computed Properties of 33697-81-3, the publication is ACS Medicinal Chemistry Letters (2011), 2(5), 326-330, database is CAplus and MEDLINE.

Prostaglandin D₂ (PGD₂) plays a key role in mediating allergic reactions seen in asthma, allergic rhinitis, and atopic dermatitis. PGD₂ exerts its activity through two G protein-coupled receptors (GPCRs), prostanoid D receptor (DP or DP₁), and chemoattractant receptor-homologous mol. expressed on Th2 cells (CRTH2 or DP₂). We report the optimization of a series of phenylacetic acid derivatives in an effort to improve the dual activity of AMG 009 against DP and CRTH2. These efforts led to the discovery of AMG 853, 2-[4-(4-(tert-butylcarbamoyl)-2-(2-chloro-4-cyclopropylphenyl sulfonamido)phenoxy)-5-chloro-2-fluorophenyl]acetic acid, which is being evaluated in human clin. trials for asthma.

ACS Medicinal Chemistry Letters published new progress about 33697-81-3. 33697-81-3 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Carboxylic acid,Benzene,Phenol, name is 3-Chloro-4-hydroxyphenylacetic acid, and the molecular formula is C8H7ClO3, Computed Properties of 33697-81-3.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Yuan, Guangpu published the artcileSynthesis of polyvinylsiloxane-platinum complexes and their catalytic activity for hydrosilylation of unsaturated compounds, Recommanded Product: Dichloro(hexyl)(methyl)silane, the publication is Cuihua Xuebao (1988), 9(1), 52-7, database is CAplus.

Vinyltriethoxysilane-platinum complex (I) has been prepared from vinyltriethoxysilane and chloroplatinic acid in the presence of anhydrous Na₂CO₃ and identified by IR measurement. Complex I supported on SiO₂ or self-polymerized gives polyvinyl siloxane-platinum complexes II and III resp. The complexes are highly active for hydrosilylation of unsaturated compounds, e.g. for the addition reaction of hexene-1 and methyldiethoxysilane, the conversion is 95% at 80 ° for 10 min or at 25 ° for 3 h in the presence of III. The addition rate of hydrosilicones to various unsaturated compounds catalyzed by these polymer catalyst is dependent on the mol. size and polarity of the reactant and the substituent on the double bond. The order of reaction rate is MeSiH(OEt)₂ > HSi(OEt)₃ > HSiCl₃ > MeSiHCl₂ and hexene-1 > octene-1 > allyl glycidyl ether > styrene > Et acrylate > Me methacrylate > α-methylstyrene. The polymer catalysts are stable and can be easily recovered and reused for several times without appreciable loss of activity.

Cuihua Xuebao published new progress about 14799-94-1. 14799-94-1 belongs to chlorides-buliding-blocks, auxiliary class Aliphatic Chain, name is Dichloro(hexyl)(methyl)silane, and the molecular formula is C37H30ClIrOP2, Recommanded Product: Dichloro(hexyl)(methyl)silane.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics