Month: April 2022

SDS of cas: 21778-81-4. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: 5-Methoxy-1H-indole-2-carbaldehyde, is researched, Molecular C10H9NO2, CAS is 21778-81-4, about Efficient selective synthesis of 2-substituted indoles from complex-base-promoted arynic cyclizations. Author is Kuehn-Caubere, Catherine; Rodriguez, Ivan; Pfeiffer, Bruno; Renard, Pierre; Caubere, Paul.

Indoles I [R = 5-MeO, 5-Me, 5-F, 7-Me, 5-MeO, 5-Cl, H; R1 = H, MeO; R2 = n-Pr, i-Pr, allyl, (CH2)2NEt2, (CH2)2NMe2, (CH2)2OEt, MeO] were efficiently obtained by selective arynic cyclization of halogenated aryl imines, e.g. 3,4-Cl(MeO)C6H3N:CMeCH2CH2CH2Me, in the presence of the complex-base NaNH2-Me3CONa. (Mercaptopropyl)indoles II (R = 5-OH, 7-OH; R3 = H, Me, CH2Ph, CH2CO2Et) were prepared by PhCH2SH-AlCl3 promoted opening of tetrahydrothiopyranoindoles which were also obtained from arynic cyclization of imines.

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Reference:
Pyridazine – Wikipedia,
Pyridazine | C4H4N2 – PubChem

Palmer, Brian D.; Thompson, Andrew M.; Booth, R. John; Dobrusin, Ellen M.; Kraker, Alan J.; Lee, Ho H.; Lunney, Elizabeth A.; Mitchell, Lorna H.; Ortwine, Daniel F.; Smaill, Jeff B.; Swan, Leesa M.; Denny, William A. published an article about the compound: 5-Methoxy-1H-indole-2-carbaldehyde( cas:21778-81-4,SMILESS:O=CC(N1)=CC2=C1C=CC(OC)=C2 ).Application of 21778-81-4. Aromatic heterocyclic compounds can be classified according to the number of heteroatoms or the size of the ring. The authors also want to convey more information about this compound (cas:21778-81-4) through the article.

High-throughput screening has identified a novel class of inhibitors of the checkpoint kinase Wee1, which have potential for use in cancer chemotherapy. These inhibitors, e.g. I (R = H, 2-FC6H4, 3-NCC6H4, 2,6-Br2C6H3, 2-thienyl, 3-pyrrolyl, 3-pyridyl, etc.), are based on a 4-phenylpyrrolo[3,4-c]carbazole-1,3(2H,6H)-dione template and have been shown by X-ray crystallog. to bind at the ATP site of the enzyme. An extensive study of the effects of substitution around this template has been carried out, which has identified substituents which lead to improvements in potency and selectivity for Wee1. While retention of the maleimide ring and pendant 4-Ph group is necessary for potency, replacement of the carbazole nitrogen by oxygen is well tolerated and results in improved Wee1 selectivity against the related checkpoint kinase Chk1. Wee1 potency and selectivity are also enhanced by the incorporation of lipophilic functionality at the 2′-position of the 4-Ph ring, and Wee1 selectivity against Chk1 is favored by C3-C5 alkyl substitution of the carbazole nitrogen. These studies provide a basis for the design of active analogs of the pyrrolocarbazole lead with improved phys. properties.

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Reference:
Pyridazine – Wikipedia,
Pyridazine | C4H4N2 – PubChem

So far, in addition to halogen atoms, other non-metallic atoms can become part of the aromatic heterocycle, and the target ring system is still aromatic.Modemann, Daniel J.; Mahardhika, Andhika B.; Yamoune, Sabrina; Kreyenschmidt, Anne-Katrin; Maass, Frederike; Kremers, Sarah; Breunig, Christian; Sahlmann, Carsten-Oliver; Bucerius, Jan; Stalke, Dietmar; Wiltfang, Jens; Bouter, Yvonne; Mueller, Christa E.; Bouter, Caroline; Meller, Birgit researched the compound: 2-(2-Bromoethoxy)tetrahydro-2H-pyran( cas:17739-45-6 ).Synthetic Route of C7H13BrO2.They published the article 《Development of high-affinity fluorinated ligands for cannabinoid subtype 2 receptor, and in vitro evaluation of a radioactive tracer for imaging》 about this compound( cas:17739-45-6 ) in European Journal of Medicinal Chemistry. Keywords: preparation fluorinated ligand cannabinoid receptor radiotracer PET imaging neurodegeneration; CB(2)R; Diagnostic of neurodegenerative diseases; Microglia; PET-Tracer. We’ll tell you more about this compound (cas:17739-45-6).

The development of neurodegenerative diseases is associated with cerebral inflammation, which activates resident immune cells of the central nervous system (CNS), namely microglial cells that show an up-regulation of the cannabinoid subtype 2 receptor (CB2R) expression. Therefore our work aimed to design and synthesize a radiotracer for the detection of CB2R expression by positron emission tomog. (PET) allowing an early diagnosis of neurodegenerative diseases. For the development of such a PET tracer, N-alkyl-substituted indole-3-yl-tetramethylcyclopropylketones served as lead structures due to their high CB2R potency and selectivity, allowing radiolabeling on the N-alkyl chain. To this end, eight novel fluorinated N-alkyl-indole-3-yl-tetramethylcyclopropylketones were synthesized, investigated in radioligand binding studies, and structure-activity relationships were evaluated. The most promising candidate was (1-(4-fluoropropyl)-1H-indole-3-yl)(2,2,3,3-tetramethyl-cyclopropyl)methanone (Ki: 7.88 nM at the CB2R, 3430 nM at cannabinoid subtype 1 receptor (CB1R)). A precursor was synthesized, radiofluorinated with no-carrier-added [18F]F- by nucleophilic substitution of a tosyl group, and the resulting PET ligand was purified, all being performed on a fully automated synthesis module. The tracer was produced in 34 ± 6% radiochem. yield within 2 h and with molar activities of up to 1500 GBq/μmol. A first preclin. evaluation was carried out including determination of logP, metabolic stability by liver microsomes, and autoradiog. The novel PET tracer for imaging CB2R showed promising results warranting subsequent clin. evaluation.

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Reference:
Pyridazine – Wikipedia,
Pyridazine | C4H4N2 – PubChem

Computed Properties of C10H9NO2. Aromatic compounds can be divided into two categories: single heterocycles and fused heterocycles. Compound: 5-Methoxy-1H-indole-2-carbaldehyde, is researched, Molecular C10H9NO2, CAS is 21778-81-4, about 5-Amino-1-(chloromethyl)-1,2-dihydro-3H-benz[e]indoles: Relationships between Structure and Cytotoxicity for Analogues Bearing Different DNA Minor Groove Binding Subunits. Author is Atwell, Graham J.; Milbank, Jared J. B.; Wilson, William R.; Hogg, Alison; Denny, William A..

A series of 5-amino-seco-CBI compounds, designed for use as effectors for prodrugs, were prepared to study structure-activity relationships for the cytotoxicity of side chain analogs. Compounds were prepared by coupling 1-(chloromethyl)-5-nitro-1,2-dihydro-3H-benz[e]indole to appropriate carboxylic acids, followed by nitro group reduction, or by coupling suitable 5-amino-protected indolines to α,β-unsaturated acids, followed by deblocking. These AT-specific DNA alkylating agents were evaluated for cytotoxicity in a series of tumor cell lines (AA8, UV4, EMT6, SKOV3). For those analogs bearing an indolecarbonyl side chain, the 5′-methoxy derivative was the most cytotoxic (IC50 1.3 nM in AA8 cells, 4 h exposure), comparable to that of the parent CBI-TMI (5′,6′,7′-trimethoxyindole) derivative (IC50 0.46 nM in the above assay). A subset of solubilized derivatives bearing O(CH2)2NMe2 substituents were about 10-fold less potent. For compounds containing an acryloyl linker in the side chain, the 4′-methoxycinnamoyl derivative proved the most cytotoxic (IC50 0.09 nM in the above assay). A number of these 5-amino-seco-CBI-TMI analogs (including the solubilized compounds) are of interest both as cytotoxins and as components of amine-based prodrugs designed for tumor-specific activation.

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Reference:
Pyridazine – Wikipedia,
Pyridazine | C4H4N2 – PubChem

In organic chemistry, atoms other than carbon and hydrogen are generally referred to as heteroatoms. The most common heteroatoms are nitrogen, oxygen and sulfur. Now I present to you an article called Discovery of novel 4-phenyl-2-(pyrrolidinyl)nicotinamide derivatives as potent Nav1.1 activators, published in 2019-03-15, which mentions a compound: 136725-55-8, mainly applied to phenyl pyrrolidinyl nicotinamide derivative preparation sodium channel CNS disease; Dravet syndrome phenyl pyrrolidinyl nicotinamide derivative preparation; BBB penetration; Dravet syndrome; Na(v)1.1 activator; Slow current decay of inactivation; Voltage-gated sodium channels, Formula: C4H9ClFN.

The voltage-gated sodium channel, Nav1.1, is predominantly expressed in parvalbumin-pos. fast spiking interneurons and has been genetically linked to Dravet syndrome. Starting from a high throughput screening hit isoxazole derivative 5, modifications of 5 via combinations of IonWorks and Q-patch assays successfully identified the nicotinamide derivative 4. Its increasing decay time constant (tau) of Nav1.1 currents at 0.03 μM along with significant selectivity against Nav1.2, Nav1.5, and Nav1.6 and acceptable brain exposure in mice was observed Compound 4 is a promising Nav1.1 activator that can be used to analyze pathophysiol. functions of the Nav1.1 channel towards treating various central nervous system diseases.

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Reference:
Pyridazine – Wikipedia,
Pyridazine | C4H4N2 – PubChem

The chemical properties of alicyclic heterocycles are similar to those of the corresponding chain compounds. Compound: 2-(2-Bromoethoxy)tetrahydro-2H-pyran, is researched, Molecular C7H13BrO2, CAS is 17739-45-6, about Sphingomonas montanisoli sp. nov., isolated from mountain soil, the main research direction is Sphingomonas mountain soil phenotype phylogenetic; Lysobacter alkalisoli sp. nov.; chitin; degradation; polyphasic analysis; saline soil.HPLC of Formula: 17739-45-6.

A soil bacterium, designated ZX9611T, was isolated from Taihang Mountain in Henan province, PR China. The strain was Gram-stain-neg. and strictly aerobic. The cells were motile, rod-shaped and formed light pink-colored colonies. The 16S rRNA gene sequence of ZX9611T shared the highest similarities with those of Sphingomonas crocodyli CCP-7T (97.0%), Sphingomonas jatrophae S5-249T (96.6%) and Sphingomonas starnbergensis 382T (95.9%). Phylogenetic analyses based on 16S rRNA gene sequences demonstrated that ZX9611T clustered with S. crocodyli CCP-7T, S. jatrophae S5-249T and S. starnbergensis 382T. The average nucleotide identity (ANI) values between ZX9611T and two type strains (S. crocodyli BCRC 81096T and S. jatrophae DSM 27345T) were 88.3 and 68.6% resp. ZX9611T exhibited genome-sequence-based digital DNA-DNA hybridization (dDDH) values of 53.3% and 15.3%, compared with S. crocodyli BCRC 81096T and S. jatrophae DSM 27345T, resp. ZX9611T had a genome size of 4.12 Mb and an average DNA G + C content of 64.8%. ZX9611T had major fatty acids (>5%) including summed feature 8 (C18 : 1 ω7c and/or C18 : 1 ω6c), C14 : 0 2-OH, C16 : 0 and summed feature 3 (C16 : 1 ω7c and/or C16 : 1 ω6c), and the major polyamine was sym-homospermidine. The only respiratory quinone was ubiquinone-10. The polar lipids were diphosphatidylglycerol, phosphatidylethanolamine, phosphatidylglycerol, phosphatidylcholine and sphingoglycolipid. On the basis of phenotypic, chemotaxonomic and phylogenetic characteristics, strain ZX9611T represents a novel species of genus Sphingomonas, for which the name Sphingomonas montanisoli sp. nov. is proposed. The type strain is ZX9611T (= KCTC 72622T = CCTCC AB 2019350T).

Compound(17739-45-6)HPLC of Formula: 17739-45-6 received a lot of attention, and I have introduced some compounds in other articles, similar to this compound(2-(2-Bromoethoxy)tetrahydro-2H-pyran), if you are interested, you can check out my other related articles.

Reference:
Pyridazine – Wikipedia,
Pyridazine | C4H4N2 – PubChem

Ghosh, Avipsa; Walker, James A.; Ellern, Arkady; Stanley, Levi M. published the article 《Coupling Catalytic Alkene Hydroacylation and α-Arylation: Enantioselective Synthesis of Heterocyclic Ketones with α-Chiral Quaternary Stereocenters》. Keywords: alkene intramol hydroacylation enantioselective arylation nickel NHC catalyst; heterocyclic ketone chiral quaternary stereocenter stereoselective preparation.They researched the compound: 5-Methoxy-1H-indole-2-carbaldehyde( cas:21778-81-4 ).Safety of 5-Methoxy-1H-indole-2-carbaldehyde. 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:21778-81-4) here.

We report a strategy that combines alkene hydroacylation and enantioselective α-(hetero)arylation reactions to form a wide variety of nitrogen-containing heterocyclic ketones bearing α-chiral quaternary stereogenic centers. Exo-selective, intramol. Ni-catalyzed hydroacylations of N-homoallylindole- and N-homoallylpyrrole-2-carboxaldehydes form α-substituted six-membered heterocyclic ketones in up to 95% yield, while N-heterocyclic carbene (NHC) catalyzed hydroacylations of N-allylindole- and N-allylpyrrole-2-carboxaldehydes form α-substituted five-membered heterocyclic ketones in up to 99% yield. The racemic five- and six-membered products of Ni- and NHC-catalyzed hydroacylation reactions are readily transformed into heterocyclic ketones containing an α-chiral quaternary stereogenic center by enantioselective Ni-catalyzed α-arylation and α-heteroarylation reactions. The chiral, nonracemic products formed through a combination of alkene hydroacylation and α-(hetero)arylation reactions are formed in moderate to high yields (44-99%) with excellent enantioselectivities (typically >95% ee). The identity of the precatalyst for Ni-catalyzed α-(hetero)arylation is dictated by the identity of the α-substituted heterocyclic ketone starting material. α-(Hetero)arylations of six-membered heterocyclic ketones occur at 65-85 °C in the presence of a catalyst generated in situ from Ni(COD)2 and (R)-BINAP or (R)-DIFLUORPHOS. α-(Hetero)arylation of five-membered heterocyclic ketones must be conducted at room temperature in the presence of an [((R)-BINAP)Ni(η2-NC-Ph)] precatalyst or a catalyst generated in situ from Ni(COD)2, (R)-DIFLUORPHOS, and benzonitrile.

Compound(21778-81-4)Safety of 5-Methoxy-1H-indole-2-carbaldehyde received a lot of attention, and I have introduced some compounds in other articles, similar to this compound(5-Methoxy-1H-indole-2-carbaldehyde), if you are interested, you can check out my other related articles.

Reference:
Pyridazine – Wikipedia,
Pyridazine | C4H4N2 – PubChem

Recommanded Product: 5-Methoxy-1H-indole-2-carbaldehyde. 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: 5-Methoxy-1H-indole-2-carbaldehyde, is researched, Molecular C10H9NO2, CAS is 21778-81-4, about Synthesis of 9H-Pyrrolo[1,2-a]indole and 3H-Pyrrolizine Derivatives via a Phosphine-Catalyzed Umpolung Addition/Intramolecular Wittig Reaction. Author is Saleh, Nidal; Voituriez, Arnaud.

The first umpolung addition/intramol. Wittig reaction, catalytic in phosphine, is described. The in situ phosphine oxide reduction was accomplished by the use of silane and a catalytic amount of bis(4-nitrophenyl)phosphate. This catalytic protocol is applicable to the synthesis of a wide range of functionalized 9H-pyrrolo[1,2-a]indoles and pyrrolizines (18 examples, 70-98% yields).

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Reference:
Pyridazine – Wikipedia,
Pyridazine | C4H4N2 – 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: 21778-81-4, is researched, SMILESS is O=CC(N1)=CC2=C1C=CC(OC)=C2, Molecular C10H9NO2Journal, Article, ACS Combinatorial Science called Development and Synthesis of DNA-Encoded Benzimidazole Library, Author is Ding, Yun; Chai, Jing; Centrella, Paolo A.; Gondo, Chenaimwoyo; De Lorey, Jennifer L.; Clark, Matthew A., the main research direction is preparation DNA conjugated benzimidazole library NK3 receptor antagonist; DNA tagged fluoronitrobenzamide amine aldehyde; DNA-encoded library technology; benzimidazole.Application of 21778-81-4.

Encoded library technol. (ELT) is an effective approach to the discovery of novel small-mol. ligands for biol. targets. A key factor for the success of the technol. is the chem. diversity of the libraries. Here we report the development of DNA-conjugated benzimidazoles. Using 4-fluoro-3-nitrobenzoic acid as a key synthon, we synthesized a 320 million-member DNA-encoded benzimidazole library using Fmoc-protected amino acids, amines and aldehydes as diversity elements. Affinity selection of the library led to the discovery of a novel, potent and specific antagonist of the NK3 receptor.

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Reference:
Pyridazine – Wikipedia,
Pyridazine | C4H4N2 – PubChem

Related Products of 17739-45-6. 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: 2-(2-Bromoethoxy)tetrahydro-2H-pyran, is researched, Molecular C7H13BrO2, CAS is 17739-45-6, about Description of the bacterial RNA polymerase inhibitor GE23077-producer Actinomadura sp. NRRL B-65521T as Actinomadura lepetitiana sp. nov. Author is Dalmastri, Claudia; Gastaldo, Luciano; Berini, Francesca; Marinelli, Flavia; Marcone, Giorgia Letizia.

The filamentous actinomycete that produces the antibiotic GE23077 was isolated by the Lepetit Research Group from a soil sample collected in Thailand, and it was classified as a member of the genus Actinomadura on the basis of its morphol. and cell-wall composition Phylogenetic anal. based on 16S rRNA gene sequences indicated that this strain formed a distinct monophyletic line within the genus Actinomadura, and it was most closely related to Actinomadura bangladeshensis DSM 45347T (99.31% similarity) and Actinomadura mexicana DSM 44485T (98.94%). The GE23077-producing strain formed an extensively branched, non-fragmented vegetative mycelium; no pseudosporangia were formed and the arthrospores were organized in slightly twisted chains. The cell wall contained meso-2,6-diaminopimelic acid and the diagnostic sugar was madurose. The predominant menaquinone was MK-9(H6), with minor amounts of MK-9(H8) and MK-9(H4). The diagnostic phospholipids were phosphatidylinositol and diphosphatidylglycerol. The major cellular fatty acids were C16:0 and tuberculostearic acid (10-methyloctadecanoic acid), followed by minor amounts of C18:1ω9c, C16:1ω7c and 10-methylheptadecanoic acid. The genomic DNA G + C content was 71.77 mol%. Significant differences in the morphol., chemotaxonomic and biochem. data, and the low DNA-DNA relatedness between the GE23077-producing strain and closely related type strains clearly demonstrate that it represents a novel species of the genus Actinomadura, for which the name Actinomadura lepetitiana sp. nov. is proposed. The type strain is NRRL B-65521T(= LMG 31258T = DSM 109019T).

Compound(17739-45-6)Related Products of 17739-45-6 received a lot of attention, and I have introduced some compounds in other articles, similar to this compound(2-(2-Bromoethoxy)tetrahydro-2H-pyran), if you are interested, you can check out my other related articles.

Reference:
Pyridazine – Wikipedia,
Pyridazine | C4H4N2 – PubChem