Tag: M.W=150-200

Maurya, Hardesh K. published the artcileSynthesis of 4-phenyl-5,6-dihydrobenzo[h]quinazolines and their evaluation as growth inhibitors of carcinoma cells, Application of 2-Chloro-N,N-dimethylpropan-1-amine hydrochloride, the publication is RSC Advances (2016), 6(22), 18607-18618, database is CAplus.

The synthesis of various benzo[h]quinazoline analogs (4a-f, 6a-d, 8a and 8b) was accomplished through the reaction of chalcone with guanidine. The synthesized compounds (4a-f, 6a-d, 8a and 8b) were screened for their anticancer potential against different cancer cells viz MCF-7, DLD1, A549, DU145 & FaDu cell lines. Compounds 4a, 6a-d & 8b showed significant anticancer activity in these cancer cell lines with a range of IC₅₀ values of 1.5-12.99 μM. A functional study of promising mol. 6d at 7 μM (at the IC₅₀ value) over 24 and 48 h showed that it possesses anticancer activity through triggering apoptosis. In a tubulin polymerization assay, 6d effectively inhibited tubulin polymerization with an IC₅₀ of 2.27 μM. In silico docking studies of 6d revealed that 6d has good affinity with an estrogen receptor as well as a tubulin protein on its β-sheet of the colchicines binding site.

RSC Advances published new progress about 4584-49-0. 4584-49-0 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Salt,Amine,Aliphatic hydrocarbon chain, name is 2-Chloro-N,N-dimethylpropan-1-amine hydrochloride, and the molecular formula is C5H13Cl2N, Application of 2-Chloro-N,N-dimethylpropan-1-amine hydrochloride.

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

Fukui, Kosuke published the artcileNew-generation chemical tools for the manipulation of auxin biosynthesis, action, and transport, Synthetic Route of 33697-81-3, the publication is Methods in Molecular Biology (New York, NY, United States) (2019), 143-156, database is CAplus and MEDLINE.

Auxin is the master regulator for almost every aspect of plant growth and development. Small mol. inhibitors, fluorescently labeled mol., and hormone analogs on auxin biosynthesis, transport, and signaling, so-called auxin chem. tools, have been widely utilized to dissect physiol. functions of gene families in auxin biosynthesis, transport, and signaling. Auxin chem. tools can manipulate specific auxin-regulated events at any developmental stage. Chem. tools can modulate the function of orthologs of target proteins and also can overcome the redundant function of large family gene controlling auxinregulated response. On the other hand, chem. tool might induce the off-target effects at high concentration, if the chem. tool shows insufficient specificity on target proteins. This chapter describes a brief overview and practical application of the auxin chem. tools.

Methods in Molecular Biology (New York, NY, United States) 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, Synthetic Route of 33697-81-3.

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

Yamamoto, Keiji published the artcileInteraction of silanes with bis(triphenylphosphine)ethyleneplatinum(O); hydrosilylation of olefins with this complex, Product Details of C7H16Cl2Si, the publication is Journal of Organometallic Chemistry (1971), 28(3), C37-C38, database is CAplus.

Reaction of 1-hexene with MeCl2SiH in the presence of (Ph3P)2Pt(C2H4) (I) gave n-C6H13Si-MeCl2 in quant. yield via the intermediacy of (Ph3P)2PtH(SiMeCl2). In the absence of olefin, (Ph3P)2Pt(SiMeCl2)2 was isolated. I and HSiCl3 gave only (Ph3P)2Pt(SiCl3)2. Hydrosilylation of 1-hexene and Me3SiCH:CH2 was catalyzed by the complexes of I with (EtO)2MeSiH, Me2ClSiH, Me3SiH, or Me3EtSiH; the stability of such complexes decreased in the order SiCl3 > SiMeCl2 > SiMe3. I, MeCl2SiH, and 1,3-butadiene gave 1,2-, 1,4-, and dihydrosilylation products, but diaddn. was favored with isoprene.

Journal of Organometallic 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 C11H16BNO2, Product Details of C7H16Cl2Si.

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

Gao, Feng-qin published the artcileSynthesis of methyl 2-chloroisonicotinate via esterification reaction catalyzed by hydrogen chloride, Name: 2-Chloroisonicotinic acid, the publication is Huaxue Shijie (2014), 55(1), 26-28, 54, database is CAplus.

Me 2-chloroisonicotinate with purity higher than 98.5% was synthesized via esterification reaction using 2-chloro-isonicotinic acid as starting material and hydrogen chloride as catalyst. The target compound was characterized by ¹H NMR, IR and GC-MS. The exptl. results showed that the optimal reaction conditions were: the concentration of hydrogen chloride 26%, the reaction temperature 40°C and the reaction time 3 h. The reason for the generation of the byproduct Me 2-methoxyl isonicotinate was investigated, and the reaction mechanism was speculated.

Huaxue Shijie 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, Name: 2-Chloroisonicotinic acid.

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

Wu, Zhi-bing published the artcileSynthesis and antifungal activity of N-(1,4-substituted-pyrazole-yl)-heterocyclic carboxamide derivatives, Name: 2-Chloroisonicotinic acid, the publication is Nongyao (2013), 52(1), 11-14, 44, database is CAplus.

Pyrazole derivates were a kind of compounds with high and broad-spectrum activity. In order to find heterocyclic carboxamide derivatives with high activity, this kind of compounds were further studied. A series of N-(1,4-disubstituted pyrazole-yl)-heterocyclic carboxamide derivatives were synthesized. All target compounds were bioassayed in vitro against three kinds of phytopathogenic fungi (Gibberella zeae, Fusarium oxysporum, Cytospora mandshurica). The preliminary results indicated that most of the synthesized compounds possessed some antifungal activity against these three tested fungi at 50 mg/L, among which compound 9j displayed 71.0% inhibition activity against G. zeae at 50 mg/L and compound 9l displayed 55.7% inhibition activity against C. mandshurica at 50 mg/L. The mol. structures of the target compounds could be optimized based on the designed compounds

Nongyao 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 C9H6N2O2, Name: 2-Chloroisonicotinic acid.

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

Gabor, Krisztina published the artcileDivergent roles of CprK paralogs from Desulfitobacterium hafniense in activating gene expression, Recommanded Product: 3-Chloro-4-hydroxyphenylacetic acid, the publication is Microbiology (Reading, United Kingdom) (2008), 154(12), 3686-3696, database is CAplus and MEDLINE.

Gene duplication and horizontal gene transfer play an important role in the evolution of prokaryotic genomes. We have investigated the role of three CprK paralogs from the cAMP receptor protein-fumarate and nitrate reduction regulator (CRP-FNR) family of transcriptional regulators that are encoded in the genome of Desulfitobacterium hafniense DCB-2 and possibly regulate expression of genes involved in the energy-conserving terminal reduction of organohalides (halorespiration). The results from in vivo and in vitro promoter probe assays show that two regulators (CprK1 and CprK2) have an at least partially overlapping effector specificity, with preference for ortho-chlorophenols, while meta-chlorophenols proved to be effectors for CprK4. The presence of a potential transposase-encoding gene in the vicinity of the cprK genes indicates that their redundancy is probably caused by mobile genetic elements. The CprK paralogs activated transcription from promoters containing a 14 bp inverted repeat (dehalobox) that closely resembles the FNR-box. We found a strong neg. correlation between the rate of transcriptional activation and the number of nucleotide changes from the optimal dehalobox sequence (TTAAT-N₄-ATTAA). Transcription was initiated by CprK4 from a promoter that is situated upstream of a gene encoding a methyl-accepting chemotaxis protein. This might be the first indication of taxis of an anaerobic bacterium to halogenated aromatic compounds

Microbiology (Reading, United Kingdom) 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, Recommanded Product: 3-Chloro-4-hydroxyphenylacetic acid.

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

Safakish, Mahdieh published the artcileNovel Benzoxazin-3-one Derivatives: Design, Synthesis, Molecular Modeling, Anti-HIV-1 and Integrase Inhibitory Assay, Related Products of chlorides-buliding-blocks, the publication is Medicinal Chemistry (Sharjah, United Arab Emirates) (2020), 16(7), 938-946, database is CAplus and MEDLINE.

Integrase is a validated drug target for anti-HIV-1 therapy. The second generation integrase inhibitors display π-stacking interaction ability with 3′-end nucleotide as a streamlined metal chelating pharmacophore. In this study, we introduced benzoxazin-3-one scaffold for integrase inhibitory potential as bioisostere replacement strategy of 2-benzoxazolinone. Mol. modeling studies revealed that amide functionality alongside oxadiazole heteroatoms and sulfur in the second position of oxadiazole ring could mimic the metal chelating pharmacophore. The halobenzyl ring occupies hydrophobic site created by the cytidylate nucleotide (DC-16). The most potent and selective compound displayed 110μM IC₅₀ with a selectivity index of more than 2.

Medicinal Chemistry (Sharjah, United Arab Emirates) published new progress about 620-20-2. 620-20-2 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Benzyl chloride,Benzene, name is 3-Chlorobenzylchloride, and the molecular formula is C7H6Cl2, Related Products of chlorides-buliding-blocks.

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

Khan, Bilal Ahmad published the artcileDesign, synthesis, crystal structures, computational studies, in vitro and in silico monoamine oxidase-A&B inhibitory activity of two novel S-benzyl dithiocarbamates, Computed Properties of 939-99-1, the publication is Journal of Molecular Structure (2022), 133317, database is CAplus.

Two trifluoromethyl containing S-benzyl dithiocarbamates I and II have been successfully synthesized and their structures were evaluated by means of ¹H- and ¹³C-NMR spectroscopy, FT-IR spectroscopy, and single-crystal XRD anal. Both S-benzyl dithiocarbamates differ between them by the position of the trifluoromethyl group in the aromatic ring. The great mol. similarity is reflected in similar crystal structures with similar intermol. interactions. Interestingly, the low temperature used in the XRD anal. showed that compound I is constituted by three conformers while compound II shows two independent conformers in the asym. unit. Considering that each conformer is organized in independent mol. sheets, compound I has a longer c parameter compared to compound II. The position of the trifluoromethyl group also has implications in the chem. behavior which is demonstrated in the HOMO-LUMO orbitals computed by the B3LYP method with 3-21G* basis set. Bioassay outcome displays that both compounds I and II exhibit excellent inhibition potential against monoamine oxidases (MAO-A and MAO-B) with p-CF₃ S-benzyl dithiocarbamate I (IC₅₀=16.02 ± 5.135μg/mL, 1.284 ± 0.66μg/mL) being more efficient than m-CF₃ S-benzyl dithiocarbamate II (IC₅₀=18.37± 4.030μM, 3.164 ± 0.456μM) against MAO-A and MAO-B, resp. The results of binding energy values computed via docking studies showed a remarkable agreement with in-vitro results.

Journal of Molecular Structure 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 C8H6ClF3, Computed Properties of 939-99-1.

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

Huang, Yunsheng published the artcileSynthesis and Quantitative Structure-Activity Relationships of N-(1-Benzylpiperidin-4-yl)phenylacetamides and Related Analogs as Potent and Selective σ₁ Receptor Ligands, HPLC of Formula: 33697-81-3, the publication is Journal of Medicinal Chemistry (1998), 41(13), 2361-2370, database is CAplus and MEDLINE.

A series of N-(1-benzylpiperidin-4-yl)phenylacetamide derivatives was synthesized and evaluated for affinity at σ₁ and σ₂ receptors. Most of these compounds showed a high affinity for σ₁ receptors and a low to moderate affinity for σ₂ receptors. The unsubstituted compound N-(1-benzylpiperidin-4-yl)phenylacetamide displayed a high affinity and selectivity for σ₁ receptors (K_i values of 3.90 nM for σ₁ receptors and 240 nM for σ₂ receptors). The influence of substitutions on the phenylacetamide aromatic ring on binding at both the σ₁ and σ₂ receptor has been examined through Hansch-type quant. structure-activity relationship (QSAR) studies. In general, all 3-substituted compounds, except for the OH group, had a higher affinity for both σ₁ and σ₂ receptors when compared with the corresponding 2- and 4-substituted analogs. The selectivity for σ₁ receptors displayed a trend of 3 > 2 â‰?4 for Cl, Br, F, NO₂, and OMe substituted analogs. Halogen substitution on the aromatic ring generally increased the affinity for σ₂ receptors while maintaining a similar affinity for σ₁ receptors. Substitution with electron-donating groups, such as OH, OMe, or NH₂, resulted in weak or negligible affinity for σ₂ receptors and a moderate affinity for σ₁ receptors. The compds tested had no affinity for dopamine D₂ (IC₅₀ > 10,000 nM) and D₃ (IC₅₀ > 10,000 nM) receptors. The nanomolar binding affinity and high selectivity for σ₁ receptors suggest that these compounds may be developed as potential radiotracers for positron emission tomog. or single photon emission computerized tomog. imaging studies.

Journal of Medicinal 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, HPLC of Formula: 33697-81-3.

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

Pfeifer, Annett published the artcileSynthesis and characterization of novel water-soluble and bactericidic cationic starch esters, Category: chlorides-buliding-blocks, the publication is Starch/Staerke (2017), 69(9-10), n/a, database is CAplus.

Novel water-soluble cationic starch esters, namely starch-4-(N,N,N-trimethylammonium)butyrate chloride with high degree of substitution (DS) of up to 0.7 could be easily prepared by conversion of starch of different molar mass with the imidazolide of 3-carboxypropyltrimethylammonium chloride (CPTMACl) homogeneously in DMSO (DMSO). The products were characterized in detail by FTIR and NMR spectroscopy, including two-dimensional methods. The cationic starch esters possess a high antibacterial activity.

Starch/Staerke published new progress about 6249-56-5. 6249-56-5 belongs to chlorides-buliding-blocks, auxiliary class Phase Transfer Catalyst,Inhibitor,Natural product, name is 3-Carboxy-N,N,N-trimethylpropan-1-aminium chloride, and the molecular formula is C7H16ClNO2, Category: chlorides-buliding-blocks.

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