Month: April 2022

Xu, Xiaowen; Hoogenboom, Richard; Van Hecke, Kristof published the article 《Crystal structures of three N-(pyridine-2-carbonyl)pyridine-2-carboxamides as potential ligands for supramolecular chemistry》. Keywords: crystal mol structure hydrogen bond length; N-(pyridine-2-carbon­yl)pyridine-2-carboxamide; crystal structure; fluorine moieties; supra­molecular chemistry.They researched the compound: Picolinamide( cas:1452-77-3 ).Computed Properties of C6H6N2O. Aromatic heterocyclic compounds can be divided into two categories: single heterocyclic and fused heterocyclic. In addition, there is a lot of other information about this compound (cas:1452-77-3) here.

The synthesis and single-crystal X-ray structures of three N-(pyridine-2-carbonyl)pyridine-2-carboxamide imides, with or without F atoms on the 3-position of the pyridine rings are reported, namely, N-(pyridine-2-carbonyl)pyridine-2-carboxamide, C12H9N3O2 (1), N-(3-fluoropyridine-2-carbonyl)pyridine-2-carboxamide, C12H8FN3O2 (2), and 3-fluoro-N-(3-fluoropyridine-2-carbonyl)pyridine-2-carboxamide, C12H7F2N3O2 (3). The above-mentioned compounds were synthesized by a mild, general procedure with an excellent yield, providing straightforward access to sym. and/or asym. heterocyclic ureas. The crystal structures of 1 and 2 are isomorphous, showing similar packing arrangements, i.e. double layers of parallel (face-to-face) mols. alternating with analogous, but perpendicularly oriented, double layers. In contrast, the crystal structure of 3, containing a fluoro- group at the 3-position of both pyridine rings, shows mol. arrangements in a longitudinal, tubular manner along the c axis, with the aromatic pyridine and carbonyl/fluorine moieties facing towards each other.

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Reference:
Tetrahydroisoquinoline – Wikipedia,
1,2,3,4-Tetrahydroisoquinoline | C9H11N – PubChem

Quality Control of Picolinamide. The reaction of aromatic heterocyclic molecules with protons is called protonation. Aromatic heterocycles are more basic than benzene due to the participation of heteroatoms. Compound: Picolinamide, is researched, Molecular C6H6N2O, CAS is 1452-77-3, about Evaluation of radioiodinated fluoronicotinamide/fluoropicolinamide-benzamide derivatives as theranostic agents for melanoma. Author is Chen, Chao-Cheng; Chen, Yang-Yi; Lo, Yi-Hsuan; Lin, Ming-Hsien; Chang, Chih-Hsien; Chen, Chuan-Lin; Wang, Hsin-Ell; Wu, Chun-Yi.

Malignant melanoma is the most harmful type of skin cancer and its incidence has increased in this past decade. Early diagnosis and treatment are urgently desired. In this study, we conjugated picolinamide/nicotinamide with the pharmacophore of 131I-MIP-1145 to develop 131I-iodofluoropicolinamide benzamide (131I-IFPABZA) and 131I-iodofluoronicotiamide benzamide (131I-IFNABZA) with acceptable radiochem. yield (40 ± 5%) and high radiochem. purity (>98%). We also presented their biol. characteristics in melanoma-bearing mouse models. 131I-IFPABZA (Log P = 2.01) was more lipophilic than 131I-IFNABZA (Log P = 1.49). B16F10-bearing mice injected with 131I-IFNABZA exhibited higher tumor-to-muscle ratio (T/M) than those administered with 131I-IFPABZA in planar γ-imaging and biodistribution studies. However, the imaging of 131I-IFNABZA- and 131I-IFPABZA-injected mice only showed marginal tumor uptake in A375 amelanotic melanoma-bearing mice throughout the experiment period, indicating the high binding affinity of these two radiotracers to melanin. Comparing the radiation-absorbed dose of 131I-IFNABZA with the melanin-targeted agents reported in the literature, 131I-IFNABZA exerts lower doses to normal tissues on the basis of similar tumor dose. Based on the in vitro and in vivo studies, we clearly demonstrated the potential of using 131I-IFNABZA as a theranostic agent against melanoma.

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Reference:
Tetrahydroisoquinoline – Wikipedia,
1,2,3,4-Tetrahydroisoquinoline | C9H11N – PubChem

Most of the compounds have physiologically active properties, and their biological properties are often attributed to the heteroatoms contained in their molecules, and most of these heteroatoms also appear in cyclic structures. A Journal, International Journal of Research in Chemistry and Environment called Quantum mechanical study of coordination ability of amides using eigen value parameters, Author is Ahmad, Kaleem; Dixit, Vivek, which mentions a compound: 1452-77-3, SMILESS is O=C(N)C1=NC=CC=C1, Molecular C6H6N2O, Related Products of 1452-77-3.

It is well known fact that the bonding occurs at oxygen atom in the Amides compounds In order to prove this fact we have considered eighteen Amides compounds Present study deals to calculate their Eigen value using Quantum Mech. descriptors via Cache software. With the help of Eigen values, the concentrations of electrons on oxygen and nitrogen atoms of Amides compounds have been calculated In Amides compounds, the sum of contributions of p-orbitals of oxygen atom in the formation of MOs is smaller as compared to other atoms. This indicates that the bonding takes place at oxygen atom.

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Reference:
Tetrahydroisoquinoline – Wikipedia,
1,2,3,4-Tetrahydroisoquinoline | C9H11N – PubChem

Heterocyclic compounds can be divided into two categories: alicyclic heterocycles and aromatic heterocycles. Compounds whose heterocycles in the molecular skeleton cannot reflect aromaticity are called alicyclic heterocyclic compounds. Compound: 15227-42-6, is researched, Molecular C10H10Cl2N2Pt, about ESR of hot ions: low spin platinum(III) complex ions produced by γ-irradiation, the main research direction is ESR platinum complex gamma irradiation; hot ion platinum complex ESR.Recommanded Product: cis-Dichlorobis(pyridine)platinum(II).

Tervalent Pt complex ions were observed by ESR upon γ-irradiation of both bivalent and quadrivalent complexes. From their g-values, the tervalent complex ions can be classified into 2 types, one axially sym. and the other orthorhombic, the former having typical g-values of 2(g‖) and 2.4(g.perp.), and the latter a g1-value slightly lower than the free electron value of 2.0023. The hyperfine interaction due to 195Pt is 1 order of magnitude larger than that in Co complexes with 3d7 low spin configuration, indicating that the configuration interaction involving 6s-orbital is more important than that for 3d transition metal complexes involving 4s-orbital, and that 5d electrons penetrate deeply into inner shells, resulting in core polarization.

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Reference:
Tetrahydroisoquinoline – Wikipedia,
1,2,3,4-Tetrahydroisoquinoline | C9H11N – PubChem

Safety of 1-Bromoundecane. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: 1-Bromoundecane, is researched, Molecular C11H23Br, CAS is 693-67-4, about Discovery, characterization and functional improvement of kumamonamide as a novel plant growth inhibitor that disturbs plant microtubules. Author is Ishida, Takashi; Yoshimura, Haruna; Takekawa, Masatsugu; Higaki, Takumi; Ideue, Takashi; Hatano, Masaki; Igarashi, Masayuki; Tani, Tokio; Sawa, Shinichiro; Ishikawa, Hayato.

In the present study, authors discovered a novel N-alkoxypyrrole compound, kumamonamide from Streptomyces werraensis MK493-CF1 and established a total synthesis procedure. Resulted in the bioactivity assays, it was found that kumamonamic acid, a synthetic intermediate of kumamonamide, is a potential plant growth inhibitor. Further, various derivatives of kumamonamic acid are developed, including a kumamonamic acid nonyloxy derivative (KAND), which displayed high herbicidal activity without adverse effects on HeLa cell growth. Authors also detected that kumamonamic acid derivatives disturb plant microtubules; and addnl., that KAND affected actin filaments and induced cell death. These multifaceted effects differ from those of known microtubule inhibitors, suggesting a novel mode of action of kumamonamic acid, which represents an important lead for the development of new herbicides.

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Reference:
Tetrahydroisoquinoline – Wikipedia,
1,2,3,4-Tetrahydroisoquinoline | C9H11N – PubChem

The three-dimensional configuration of the ester heterocycle is basically the same as that of the carbocycle. Compound: Picolinamide(SMILESS: O=C(N)C1=NC=CC=C1,cas:1452-77-3) is researched.Computed Properties of C12H11NO. The article 《Development of radiofluorinated nicotinamide/picolinamide derivatives as diagnostic probes for the detection of melanoma》 in relation to this compound, is published in International Journal of Molecular Sciences. Let’s take a look at the latest research on this compound (cas:1452-77-3).

Regarding the increased incidence and high mortality rate of malignant melanoma, practical early-detection methods are essential to improve patients′ clin. outcomes. In this study, we successfully prepared novel picolinamide-benzamide (18F-FPABZA) and nicotinamide-benzamide (18F-FNABZA) conjugates and determined their biol. characteristics. The radiochem. yields of 18F-FPABZA and 18F-FNABZA were 26 ± 5% and 1 ± 0.5%, resp. 18F-FPABZA was more lipophilic (log P = 1.48) than 18F-FNABZA (log P = 0.68). The cellular uptake of 18F-FPABZA in melanotic B16F10 cells was relatively higher than that of 18F-FNABZA at 15 min post-incubation. However, both radiotracers did not retain in amelanotic A375 cells. The tumor-to-muscle ratios of 18F-FPABZA-injected B16F10 tumor-bearing mice increased from 7.6 ± 0.4 at 15 min post-injection (p.i.) to 27.5 ± 16.6 at 3 h p.i., while those administered with 18F-FNABZA did not show a similarly dramatic increase throughout the exptl. period. The results obtained from biodistribution studies were consistent with those derived from microPET imaging. This study demonstrated that 18F-FPABZA is a promising melanin-targeting positron emission tomog. (PET) probe for melanotic melanoma.

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Reference:
Tetrahydroisoquinoline – Wikipedia,
1,2,3,4-Tetrahydroisoquinoline | C9H11N – PubChem

Most of the compounds have physiologically active properties, and their biological properties are often attributed to the heteroatoms contained in their molecules, and most of these heteroatoms also appear in cyclic structures. A Journal, Journal of Materials Chemistry A: Materials for Energy and Sustainability called Incorporation of alkylthio side chains on benzothiadiazole-based non-fullerene acceptors enables high-performance organic solar cells with over 16% efficiency, Author is Cheung, Andy Man Hong; Yu, Han; Luo, Siwei; Wang, Zhen; Qi, Zhenyu; Zhou, Wentao; Arunagiri, Lingeswaran; Chang, Yuan; Yao, Huatong; Ade, Harald; Yan, He, which mentions a compound: 693-67-4, SMILESS is CCCCCCCCCCCBr, Molecular C11H23Br, Synthetic Route of C11H23Br.

Y6-type non-fullerene acceptors (NFAs) with an acceptor-donor-acceptor′-donor-acceptor (A-D-A′-D-A) structure have been very popular in the field of organic solar cells (OSCs) due to their excellent performances. In this study, two novel NFAs, BTPS-4F and BTPS-4Cl were designed by incorporating undecylthio side chains into a thienothiophene moiety and connecting it to two different halogenated 2-(3-oxo-2,3-dihydroinden-1-ylidene)malononitrile end groups (2F-IC and 2Cl-IC) resp. When blended with a donor polymer, PM6, BTPS-4F-based devices achieved a high power conversion efficiency (PCE) of up to 16.2% with an open-circuit voltage (VOC) of 0.82 V, a short-circuit c.d. (JSC) of 25.2 mA cm-2 and a fill factor (FF) of 0.78, while BTPS-4Cl-based devices achieved an inferior PCE of 13.5%. This is the first time alkylthio chains are employed on Y6-like NFAs to achieve high-performance OSCs. Subsequent characterization showed that the upshifted energy level of BTPS-4F and the better intermol. packing in PM6:BTPS-4F blends are the major reasons for the enhanced performance of BTPS-4F-based devices over BTPS-4Cl-based ones. This work provides high-performance non-fullerene acceptors for OSCs and demonstrates a promising mol. design strategy that can effectively regulate their energy levels and morphol.

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Reference:
Tetrahydroisoquinoline – Wikipedia,
1,2,3,4-Tetrahydroisoquinoline | C9H11N – PubChem

Most of the natural products isolated at present are heterocyclic compounds, so heterocyclic compounds occupy an important position in the research of organic chemistry. A compound: 1452-77-3, is researched, SMILESS is O=C(N)C1=NC=CC=C1, Molecular C6H6N2OJournal, Article, International Journal of Molecular Sciences called Evaluation of radioiodinated fluoronicotinamide/fluoropicolinamide-benzamide derivatives as theranostic agents for melanoma, Author is Chen, Chao-Cheng; Chen, Yang-Yi; Lo, Yi-Hsuan; Lin, Ming-Hsien; Chang, Chih-Hsien; Chen, Chuan-Lin; Wang, Hsin-Ell; Wu, Chun-Yi, the main research direction is melanoma theranostic agent radioiodinated fluoronicotinamide fluoropicolinamide benzamide; 131I-iodofluoronicotiamide benzamide (131I-IFNABZA); 131I-iodofluoropicolinamide benzamide (131I-IFPABZA); melanoma; theranostic agent.Application In Synthesis of Picolinamide.

Malignant melanoma is the most harmful type of skin cancer and its incidence has increased in this past decade. Early diagnosis and treatment are urgently desired. In this study, we conjugated picolinamide/nicotinamide with the pharmacophore of 131I-MIP-1145 to develop 131I-iodofluoropicolinamide benzamide (131I-IFPABZA) and 131I-iodofluoronicotiamide benzamide (131I-IFNABZA) with acceptable radiochem. yield (40 ± 5%) and high radiochem. purity (>98%). We also presented their biol. characteristics in melanoma-bearing mouse models. 131I-IFPABZA (Log P = 2.01) was more lipophilic than 131I-IFNABZA (Log P = 1.49). B16F10-bearing mice injected with 131I-IFNABZA exhibited higher tumor-to-muscle ratio (T/M) than those administered with 131I-IFPABZA in planar γ-imaging and biodistribution studies. However, the imaging of 131I-IFNABZA- and 131I-IFPABZA-injected mice only showed marginal tumor uptake in A375 amelanotic melanoma-bearing mice throughout the experiment period, indicating the high binding affinity of these two radiotracers to melanin. Comparing the radiation-absorbed dose of 131I-IFNABZA with the melanin-targeted agents reported in the literature, 131I-IFNABZA exerts lower doses to normal tissues on the basis of similar tumor dose. Based on the in vitro and in vivo studies, we clearly demonstrated the potential of using 131I-IFNABZA as a theranostic agent against melanoma.

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Reference:
Tetrahydroisoquinoline – Wikipedia,
1,2,3,4-Tetrahydroisoquinoline | C9H11N – PubChem

HPLC of Formula: 87240-07-1. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: 7-Bromo-5-nitro-1H-indole, is researched, Molecular C8H5BrN2O2, CAS is 87240-07-1, about Novel Pyrrolopyridone Bromodomain and Extra-Terminal Motif (BET) Inhibitors Effective in Endocrine-Resistant ER+ Breast Cancer with Acquired Resistance to Fulvestrant and Palbociclib. Author is Li, Yangfeng; Zhao, Jiong; Gutgesell, Lauren M.; Shen, Zhengnan; Ratia, Kiira; Dye, Katherine; Dubrovskyi, Oleksii; Zhao, Huiping; Huang, Fei; Tonetti, Debra A.; Thatcher, Gregory R. J.; Xiong, Rui.

Acquired resistance to fulvestrant and palbociclib is a new challenge to treatment of estrogen receptor pos. (ER+) breast cancer. ER is expressed in most resistance settings; thus, bromodomain and extra-terminal protein inhibitors (BETi) that target BET-amplified ER-mediated transcription have therapeutic potential. Novel pyrrolopyridone BETi leveraged novel interactions with L92/L94 confirmed by a cocrystal structure of 27 with BRD4. Optimization of BETi using growth inhibition in fulvestrant-resistant (MCF-7:CFR) cells was confirmed in endocrine-resistant, palbociclib-resistant, and ESR1 mutant cell lines. 27 was more potent in MCF-7:CFR cells than six BET inhibitors in clin. trials. Transcriptomic anal. differentiated 27 from the benchmark BETi, JQ-1, showing downregulation of oncogenes and upregulation of tumor suppressors and apoptosis. The therapeutic approach was validated by oral administration of 27 in orthotopic xenografts of endocrine-resistant breast cancer in monotherapy and in combination with fulvestrant. Importantly, at an equivalent dose in rats, thrombocytopenia was mitigated.

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Reference:
Tetrahydroisoquinoline – Wikipedia,
1,2,3,4-Tetrahydroisoquinoline | C9H11N – PubChem

HPLC of Formula: 1452-77-3. The protonation of heteroatoms in aromatic heterocycles can be divided into two categories: lone pairs of electrons are in the aromatic ring conjugated system; and lone pairs of electrons do not participate. Compound: Picolinamide, is researched, Molecular C6H6N2O, CAS is 1452-77-3, about Half-sandwich ruthenium(II) complexes containing biphenylamine based Schiff base ligands: Synthesis, structure and catalytic activity in amidation of various aldehydes. Author is Nagalakshmi, Veerasamy; Nandhini, Raja; Brindha, Veerappan; Krishnamoorthy, Bellie Sundaram; Balasubramani, Kasthuri.

New half-sandwich ruthenium (II) complexes [(η6-p-cymene)Ru (L1-3)Cl] (1-3) containing biphenylamine based Schiff base ligands (HL1-3) have been synthesized and characterized by anal. and spectroscopic methods. Addnl., the solid state structure of 2 has been determined by single crystal X-ray diffraction study. The complex 2 serves as a catalyst for the amidation of various aldehydes to amides in good yield.

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Reference:
Tetrahydroisoquinoline – Wikipedia,
1,2,3,4-Tetrahydroisoquinoline | C9H11N – PubChem