Tag: M.W=150-200

Farrera-Sinfreu, Josep published the artcileSolid-phase synthesis of sulfamate peptidomimetics, Recommanded Product: 3-Chloro-4-hydroxyphenylacetic acid, the publication is Journal of Combinatorial Chemistry (2007), 9(3), 501-506, database is CAplus and MEDLINE.

A synthetic method for the preparation of sulfamate peptidomimetics is described. The methodol. allows sulfamoylation in the solid phase using sulfamoyl chloride in DMA, followed by the acylation of the corresponding sulfamoylated product. Following this approach, several derivatives have been prepared starting from distinct alc. sources, including α-, β-, and γ-hydroxyacids and phenols. The presence of protected amino functions on the building blocks opens the possibility of the addition of more diversity. This approach, which is compatible with Fmoc/Boc/Alloc protection, provides a useful and efficient tool for the preparation of new sulfamate peptidomimetics.

Journal of Combinatorial 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, Recommanded Product: 3-Chloro-4-hydroxyphenylacetic acid.

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

Ali, Amena published the artcileSynthesis and Biological Evaluations of N-(4-Substituted Phenyl)-7-Hydroxy-4-Methyl-2-Oxoquinoline-1(2H)-Carbothioamides, Quality Control of 3696-23-9, the publication is Polycyclic Aromatic Compounds, database is CAplus.

In continuance of search for new compounds authors report herein the expedient and optimized synthesis of a series of N-(4-substituted phenyl)-7-hydroxy-4-methyl-2-oxoquinoline-1(2H)-carbothioamides I (R = 4-Cl, 4-NO₂, 4-Et, etc.) in good yields. The anticancer and antioxidant activities were determined as per the standard protocol. Nearly 5 dozens of cancer cell lines derived from nine different panels are used in the study and anticancer activity was calculated as growth percents (GPs) and percent growth inhibitions (%GIs). The mol. docking simulation against one of the potential targets i.e., epidermal growth factor receptor (EGFR) was done to find the putative approach of action of the title compds I. Compound I (R = 4-NO₂) showed the most promising anticancer activity with higher sensitivity against UO-31, HOP-92, CAKI-1, LOX IMVI and T-47D with GPs of 66.65, 72.63, 85.80, 86.11, and 86.96 resp. The compd I (R = 4-NO₂). exhibited antioxidant activity with an IC₅₀ value of 15.21 +/= 1.52 μM. The mol. docking simulation showed an efficient binding of compd I (R = 4-NO₂) against the activity site of EGFR with two H-bond interactions with the residues Gln791 and Thr854, a π-π stacking and a π-cationic interaction with the residue Phe856, while a salt bridge interaction with the residue Lys745.

Polycyclic Aromatic Compounds published new progress about 3696-23-9. 3696-23-9 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Thiourea,Amine,Benzene,Amide, name is 1-(4-Chlorophenyl)thiourea, and the molecular formula is C7H7ClN2S, Quality Control of 3696-23-9.

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

Wang, Yujia published the artcileChiral Atropisomeric Indenocorannulene Bowls: Critique of the Cahn-Ingold-Prelog Conception of Molecular Chirality, COA of Formula: C7H8BClO2, the publication is Angewandte Chemie, International Edition (2018), 57(22), 6470-6474, database is CAplus and MEDLINE.

Chiral corannulenes abound, but suffer generally from configurational lability associated with bowl-to-bowl inversion, thus obviating questions of stereogenicity and stereoelement construction. In contrast, peri-annulated corannulenes show greatly increased barriers for bowl-to-bowl inversion; specifically indenocorannulenes invert on a time scale too slow to observe by normal NMR methods and raise the possibility of creating chiral atropisomeric bowl-shaped aromatics Two methods for preparing indenocorannulene from simple 2-haloarylcorannulenes-silyl cation C-F activation, and Pd-mediated C-Cl activation^[5]-enable the synthesis of an array of such chiral atropisomeric indenocorannulenes. Resolution of the enantiomers by high-performance liquid chromatog. over chiral support phases motivates the study of chiroptical properties, the assignment of absolute “Cartesian” configuration, and the assessment of configurational stability. These studies bring into question any systematic assignment of nontrivial stereoelements (i.e. not the mol. in its entirety) and refute any assertion of congruence between “Cahn-Ingold-Prelog elements” and the phys. or “Cartesian” basis of chirality.

Angewandte Chemie, International Edition published new progress about 145349-62-8. 145349-62-8 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Boronic acid and ester,Benzene,Boronic Acids, name is 2-Chloro-4-methylphenylboronic acid, and the molecular formula is C11H14O2, COA of Formula: C7H8BClO2.

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

Peters, Rene published the artcilePractical Formal Total Syntheses of the Homocamptothecin Derivative and Anticancer Agent Diflomotecan via Asymmetric Acetate Aldol Additions to Pyridine Ketone Substrates, Application of 2-Chloroisonicotinic acid, the publication is Journal of Organic Chemistry (2006), 71(20), 7583-7595, database is CAplus and MEDLINE.

Two practical, efficient, and scalable asym. routes to DE ring fragment I, a key building block in the synthesis of the homocamptothecin derivative diflomotecan (II), are described. The “acetal route” starts from 2-chloro-4-cyanopyridine and represents an enantioselective and optimized modification of the original racemic discovery chem. synthesis. The inefficient optical resolution procedure was replaced by an efficient asym. acetate aldol addition (dr 87:13) to a ketone substrate as the key step generating the (R)-configured quaternary stereocenter with high stereoselectivity. I was finally obtained in 8.9% overall yield (er 99.95:0.05) over nine steps, avoiding chromatog. purifications and comparing favorably with the initial procedure. In the related “amide route” starting from 2-chloroisonicotinic acid, a secondary amide directing group was used to facilitate the ortho lithiation of the pyridine 3-position. The key step of this protocol again consists of a practical asym. acetate aldol addition (dr = 87:13). The DE ring building block I was thus obtained in 11.1% overall yield (er > 99.95:0.05) over nine steps requiring only one chromatog. purification

Journal of Organic Chemistry 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, Application of 2-Chloroisonicotinic acid.

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

Alepee, N. published the artcileMulti-laboratory evaluation of SkinEthic HCE test method for testing serious eye damage/eye irritation using solid chemicals and overall performance of the test method with regard to solid and liquid chemicals testing, Name: 3-Chloro-4-fluoronitrobenzene, the publication is Toxicology In Vitro (2016), 55-70, database is CAplus and MEDLINE.

A prospective multicentre study of the reconstructed human corneal epithelial tissue-based in vitro test method (SkinEthic HCE) was conducted to evaluate its usefulness to identify chems. as either not classified for serious eye damage/eye irritation (No Cat.) or as classified (Cat. 1/Cat. 2) within UN GHS. The aim of this study was to demonstrate the transferability and reproducibility of the SkinEthic HCE EITS protocol for solids and define its predictive capacity. Briefly, 60 chems. were three times tested (double blinded) in 3 laboratories and 35 addnl. chems. were tested three times in one laboratory Good within laboratory reproducibility was achieved of at least 95% (57/60) and 96.8% (92/95) for the extended data set. Furthermore, the overall concordance between the laboratories was 96.7% (58/60). The accuracy of the SkinEthic HCE EITS for the extended dataset, based on bootstrap resampling, was 81.0% (95% CI: 78.9% to 83.2%) with a sensitivity of 90.5% (95% CI: 88.1% to 92.9%) and specificity of 73.6% (95% CI: 71.7% to 75.5%). Overall, 200 chems. were tested (105 liquids (EITL protocol) and 95 solids (EITS protocol)) resulting in a sensitivity of 95.2%, specificity of 72.1% and accuracy of 83.7%, thereby meeting all acceptance criteria for predictive capacity.

Toxicology In Vitro 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, Name: 3-Chloro-4-fluoronitrobenzene.

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

Singh, Sarita published the artcileSynthesis and evaluation of substituted 8,8-dimethyl-8H-pyrano[2,3-f]chromen-2-one derivatives as vasorelaxing agents, SDS of cas: 4584-49-0, the publication is Bioorganic & Medicinal Chemistry Letters (2020), 30(1), 126759, database is CAplus and MEDLINE.

A series of substituted 8,8-dimethyl-8H-pyrano[2,3-f]chromen-2-ones I [R = Me, (CH₂)₂NMe₂, CH₂C(O)N(Me)(n-Bu), etc.] was synthesized from scopoletin as vasorelaxing agents. The synthesized compounds were evaluated for vasorelaxation in endothelium intact rat main mesenteric artery (MMA). Scopoletin, and compounds I [R = Me, CH₂C(O)N(Me)(n-Bu), (CH₂)₄C(O)N(Me)(n-Bu), CH₂C(O)NH(n-pentyl), (CH₂)₃C(O)N(Me)(n-pentyl), (CH₂)₄C(O)NH(n-pentyl)] showed significant vasorelaxation in precontracted MMA within the range of EC₅₀ value 1.58-5.02μM. These derivatives presented 29.40-70.89 fold increased sensitivity for exptl. tissue compared to scopoletin, the parent mol. Among others, compound I [R = Me] was found to be the most active compound which had EC₅₀ 1.58μM with 70.89 fold increased sensitivity. The mechanistic evaluation of compound I [R = Me] showed that it exerted vasorelaxation through Ca²⁺-activated K⁺ (BKca) channel and the effect was endothelium-independent.

Bioorganic & Medicinal Chemistry Letters 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 C15H23BO2, SDS of cas: 4584-49-0.

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

Bera, Milan published the artcileRhodium-Catalyzed meta-C-H Functionalization of Arenes, HPLC of Formula: 243139-71-1, the publication is Angewandte Chemie, International Edition (2017), 56(19), 5272-5276, database is CAplus and MEDLINE.

Rhodium-catalyzed ortho-C-H functionalization is known in the literature. Described herein is the Xphos-supported rhodium catalysis of meta-C-H olefination of benzylsulfonic acid and Ph acetic acid frameworks with the assistance of a para-methoxy-substituted cyano phenol as the directing group. Complete mono-selectivity is observed for both scaffolds. A wide range of olefins and functional groups attached to arene are tolerated in this protocol.

Angewandte Chemie, International Edition published new progress about 243139-71-1. 243139-71-1 belongs to chlorides-buliding-blocks, auxiliary class Fluoride,Chloride,Benzyl chloride,Benzene, name is 2,4,5-Trifluorobenzyl chloride, and the molecular formula is C7H4ClF3, HPLC of Formula: 243139-71-1.

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

Kumar, Sunil published the artcileSolvent-free synthesis of bacillamide analogues as novel cytotoxic and anti-inflammatory agents, SDS of cas: 3696-23-9, the publication is European Journal of Medicinal Chemistry (2016), 718-726, database is CAplus and MEDLINE.

Synthesis of fourteen analogs of bacillamide, a bioactive tryptamide alkaloid of marine origin, has been accomplished through a highly efficient convergent route. The present solvent-free protocol involves the formation of the thiazole ring in the initial step followed by amide coupling between substituted Et 2-alkyl/aryl/heteroaryl/amino/aminoarylthiazole-4-carboxylates and tryptamine in the presence of 2-hydroxy-4,6-dimethylpyrimidine, a solid phase catalyst to yield N-[2-(1H-indol-3-yl)ethyl]-2-alkyl/aryl/heteroaryl/amino/aminoarylthiazole-4-carboxamides I (R = Me, Ph, 2-furyl, etc.) and II (R¹ = H, 4-BrC₆H₄, 4-O₂NC₆H₄, etc.) as bacillamide analogs having structural variation at position-2 of thiazole ring. Bacillamide and its analogs were evaluated for their cytotoxic activity against three cancer cell lines (HCT-116, MDA-MD-231 and JURKAT cell lines) using colorimetric cell proliferation assay. Compounds II (R¹ = H, Ph) exhibited potent anti-cell proliferation activity with IC₅₀ values in the range of ∼3.0 μM and ∼0.1-0.6 μM, resp., against these cell lines. Preliminary mechanism of action studies indicates that these compounds initiate caspase dependent apoptosis. Also, compounds I (R = 4-MeC₆H₄, 2-thienyl) and II (R¹ = H, 4-FC₆H₄) exhibited excellent anti-inflammatory activity comparable to well-known NSAID indomethacin and better than bacillamide when evaluated using carrageenan induced rat hind paw edema method.

European Journal of Medicinal Chemistry published new progress about 3696-23-9. 3696-23-9 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Thiourea,Amine,Benzene,Amide, name is 1-(4-Chlorophenyl)thiourea, and the molecular formula is C7H7ClN2S, SDS of cas: 3696-23-9.

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

Singh, Sarita published the artcileSynthesis of 3,5-dihydroxy-7,8-dimethoxy-2-(4-methoxyphenyl)benzopyran-4-one derivatives as anticancer agents, Synthetic Route of 4584-49-0, the publication is Bioorganic & Medicinal Chemistry Letters (2016), 26(21), 5322-5327, database is CAplus and MEDLINE.

Different alkyl amide and alkyl amine derivatives of 7,8-dimethoxy-3-hydroxy-2-(4-methoxyphenyl)benzopyran-4-one were synthesized and evaluated for their anticancer activity against five different cancer cell lines using SRB assay. The most promising mol., 5-(1-(dimethylamino)propan-2-yloxy)-3-hydroxy-7,8-dimethoxy-2-(4-methoxyphenyl)-4H-chromen-4-one, was further analyzed for its effect on cell cycle and apoptosis of estrogen receptor pos. cancer cells (MCF-7 cells) which showed that 5-(1-(dimethylamino)propan-2-yloxy)-3-hydroxy-7,8-dimethoxy-2-(4-methoxyphenyl)-4H-chromen-4-one triggered apoptosis in MCF-7 cells and arrested cells population at sub-G₀ (apoptotic) and G₂M phase. In tubulin polymerization assay, 5-(1-(dimethylamino)propan-2-yloxy)-3-hydroxy-7,8-dimethoxy-2-(4-methoxyphenyl)-4H-chromen-4-one interfered with kinetics of tubulin polymerization

Bioorganic & Medicinal Chemistry Letters 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 C6H5N3S, Synthetic Route of 4584-49-0.

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

Gupta, Atul published the artcileInduction of targeted osteogenesis with 3-aryl-2H-benzopyrans and 3-aryl-3H-benzopyrans: Novel osteogenic agents, Related Products of chlorides-buliding-blocks, the publication is Journal of Steroid Biochemistry and Molecular Biology (2016), 63-75, database is CAplus and MEDLINE.

Development of target oriented chemotherapeutics for treatment of chronic diseases have been considered as an important approach in drug development. Following this approach, in our efforts for exploration of new osteogenic leads, substituted 3-aryl-2H-benzopyran and 3-aryl-3H-benzopyran derivatives (19, 20a-e, 21, 22a-e, 26, 27, 28a-e, 29, 31a-b, 32 and 33) have been characterized as estrogen receptor-β selective osteogenic (bone forming) agents. The synthesized compounds were evaluated for osteogenic activity using mouse calvarial osteoblast cells. Four compounds viz 20b, 22a, 27 and 32 showed significant osteogenic activity at EC₅₀ values 1.35, 34.5, 407 and 29.5 pM resp. Out of these, 20b and 32 were analyzed for their bone mineralization efficacy and osteogenic gene expression by qPCR. The results showed that 20b and 32 significantly increased mineral nodule formation and the transcript levels of BMP-2, RUNX-2 and osteocalcin at 100 pM concentrations resp. Further mechanistic studies of 20b and 32 using transiently knocked down expression of ER-α and β in mouse osteoblast (MOBs) showed that 20b and 32 exerts osteogenic efficacy via activation of estrogen receptor-β preferentially. Addnl., compounds showed significant anticancer activity in a panel of cancer cell lines within the range of (IC₅₀) 6.54-27.79 μM. The most active mol., 22b inhibited proliferation of cells by inducing apoptosis and arresting cell cycle at sub-G₀ phase with concomitant decrease in cells at S phase.

Journal of Steroid Biochemistry and Molecular Biology 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, Related Products of chlorides-buliding-blocks.

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