Building Blocks

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

<p>Versatile small molecule scaffold</p>

4-Chloro-2-iodo-6-methylaniline is a chemical intermediate that is used as a catalyst in the synthesis of polyurethane. It can be prepared by transmetalation of chloroacetophenone with PdCl2, followed by reaction with 3 equivalents of iodine. The resulting mixture can then be purified using column chromatography and recrystallized from hexanes. 4-Chloro-2-iodo-6-methylaniline has been shown to yield high yields in this reaction (>90%) and has been used in the synthesis of polyurethane for use in tires, insulation foam, and carpet backing. This compound can also be obtained from anilines through a multigram scale operationally scalable procedure.

Versatile small molecule scaffold

(3E)-1,4-Dichlorobut-3-en-2-one is a reactive compound that reacts with malonic acid to form esters. It can also form adducts with aluminum chloride, which are typically hydrocarbons. It has been shown to undergo cyclisation when treated with styryl chloride and hydrogen chloride, and can be converted into analogues of aromatic hydrocarbons. This compound condenses with chlorides, such as aluminum chloride, to form a stable product. (3E)-1,4-Dichlorobut-3-en-2-one is used in the production of paints and varnishes because it is an effective pigment dispersant.

<p>Versatile small molecule scaffold</p>

<p>2-(6-Methoxy-1-benzofuran-3-yl)acetic acid (MBFAA) is a fluorescent probe that is used to observe the process of DNA transfer. MBFAA has been shown to be a good candidate for use in the study of nucleophilic substitution reactions and other chemical reactions because it has a high degree of stability. It is also useful as a linear regression analysis tool. The spectral properties are characterized by a red shift in the fluorescence emission spectrum and an increase in fluorescence intensity with increasing concentration.</p>

<p>Versatile small molecule scaffold</p>

Versatile small molecule scaffold

5-Bromo-1-ethyl-2,3-dihydro-1H-indole-2,3-dione is a heterocyclic organic compound that contains both linear and cyclic structures. It has been used to study the symmetric nature of cyclic voltammetry. 5BED has also been used as an optical probe to study the potentials of carbazoles. 5BED exhibits strong photoluminescence at low temperatures, which can be attributed to its substitutions. The substitutions in 5BED can be determined by electrochemical studies.

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

<p>N-Hydroxy2-aminohexanimidic acid is a ligand that forms hydroxo complexes with hydrogen ions. It has been shown to be a potentiometric indicator for the presence of hydroxo ions in solutions. The formation constants for N-hydroxy2-aminohexanimidic acid are high and it can form polynuclear complexes with metal ions, such as iron, manganese, and zinc. This ligand also chelates transition metals and heavy metals, such as copper and arsenic. The protonation constant of N-hydroxy2-aminohexanimidic acid is 10^6. The bivalent complexes formed by this ligand have been shown to have strong absorption bands in the ultraviolet region of the electromagnetic spectrum.</p>

<p>Versatile small molecule scaffold</p>

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

1-Ethenyl-1H-imidazole-2-carboxaldehyde is a molecule that contains a vinyl group and a hydrogen bond. It has an intramolecular interaction with the carbonyl group and interactions with the formyl group and the pyridine ring. The vinyl group is also able to interact with other vinyl groups in other molecules, creating cycles of these molecules.

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

<p>5-Aminopyrimidin-4(3H)-one is an imidazole that is a precursor to the purines, which are nucleic acid bases. It is synthesized from the reaction of ammonium persulfate and 5-aminouracil with diacetate. This compound can be used as a fungicide and can also be used in the synthesis of 5-amino-1-(2,4,6-trichlorophenoxy)pyrimidine (5-ATP), a chemotherapeutic agent.</p>

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

N-Methyl-1H-indole-2-carboxamide is a molecule that has been optimized for antibacterial activity. It belongs to an indole family of molecules and has been shown to be active against the fungus, Neosartorya fischeri. In theory, this molecule could have potential as a drug agent for the prevention of bacterial infection. The optimization process was based on parameters such as carboxamide functional theory, nmr spectra, and potentials. The experimental data collected from NMR spectra and antibacterial activity confirmed that this molecule had a high degree of antibacterial activity against Gram-positive bacteria such as Staphylococcus aureus and Gram-negative bacteria such as Escherichia coli.

2-Acetamidothiazole-5-sulfonyl chloride (2A5C) is a sulfonamide anticancer drug that exhibits cytotoxic activity. 2A5C is an indole derivative that has been synthesized for the purpose of developing a new class of anticancer agents. This drug has shown to have significant anti-tumor activity in molecular docking studies and can be used as a lead compound for future research.

Versatile small molecule scaffold

3-(aminocarbonyl)benzenesulfonyl chloride (3-ACBSCl) is a compound that inhibits the life cycle of the HIV virus. It is a hexamer and binds to viral proteins, inhibiting the process of viral assembly. 3-ACBSCl helps to optimize lead compounds for antiviral drugs. This inhibitor has been shown to be active against HIV-1, and also inhibits other viruses that have an analogous life cycle. 3-ACBSCl has been shown to inhibit HIV-1 infection by binding to the capsid protein and preventing it from assembling into a functional virus particle.

2-Methylene-1,3-dioxepane is a biodegradable polymer that is used in the production of polyesters for use in film and packaging. It is synthesized by cationic polymerization, which involves the formation of ester linkages. 2-Methylene-1,3-dioxepane has been shown to be biocompatible in cell culture and can be used as a growth factor for tissue engineering. The melting point of this polymer is dependent on the molecular weight and it undergoes phase transition at temperatures around 130°C. This polymer degrades through hydrolysis when exposed to alkali or hydrogen chloride.2-Methylene-1,3-dioxepane has been observed to have an FTIR spectrum containing carbonyl absorption bands at 1710 cm−1 and 1650 cm−1. This material also displays a 13C NMR spectrum with peaks at -18 ppm and -7 ppm

Versatile small molecule scaffold

2-(Naphthalen-2-ylformamido)acetic acid (Nafamid) is a toxic agent that can be used to induce experimental diabetes in animals. Nafamid is metabolized to benzoate and then to chloride, which can be detected in urine. Chromatographic experiments showed that Nafamid was not metabolized by rats or mice, but was eliminated as the mercapturic acid (MNA) and mercapturic acid glucuronide (MAG). MNA has been isolated from urine samples of rats injected with Nafamid. The metabolic pathways for Nafamid are the same for animals and humans.

Versatile small molecule scaffold

<p>Versatile small molecule scaffold</p>

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

<p>Versatile small molecule scaffold</p>

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

<p>Versatile small molecule scaffold</p>

Versatile small molecule scaffold

Versatile small molecule scaffold

<p>Iodomethyl methyl carbonate is a carbapenem antibiotic that has been shown to have anti-influenza activity. It inhibits the cap-dependent endonuclease of the influenza virus, which prevents viral replication and release of new viruses. Iodomethyl methyl carbonate also inhibits the HIV integrase enzyme and may be used as an inhibitor for the treatment of HIV infection. This compound has antibacterial activity against bacteria that contain metallo-β-lactamase, such as Enterobacteriaceae. Iodomethyl methyl carbonate is stable in organic solvents, making it useful for chemical reactions.</p>

Versatile small molecule scaffold

<p>4-Chloroquinoline-3-carbonitrile is an intermediate in the synthesis of the tyrosine kinase inhibitor pelitinib and the process for its synthesis has been described. The synthetic process starts from acetonitrile, which reacts with nitrous acid to produce 4-chloroquinoline-3-carbonitrile. The next stage involves the reaction of 4-chloroquinoline-3-carbonitrile with ethyl acetate in the presence of a catalyst to produce 2-(4'-chlorophenyl)ethyl acetate. This compound can then be reacted with phenylethylamine to form (2E)-N-[2-(4'-chlorophenyl)ethyl]-N-(2,6-dimethoxyphenyl)acrylamide, which is a key intermediate in the synthesis of pelitinib.</p>

<p>Versatile small molecule scaffold</p>

2,4-Dichloroquinoline-3-carbonitrile is a nitrosourea compound that inhibits cancer cells. It is activated by the addition of a reducing agent such as triethyl orthoformate and then reacts with an amine to form the corresponding N,N'-dichloroquinoline. The product of this reaction inhibits cancer cells by binding to DNA and inhibiting RNA synthesis. 2,4-Dichloroquinoline-3-carbonitrile has been shown to be effective against leukemia cells in vitro.

<p>6-Hydrazinylpyridine-3-carboxamide is a coligand with high affinity for technetium, which is used in analytical chemistry. The compound has been shown to bind to the transcription-polymerase chain reaction (PCR) and monoclonal antibody binding sites of the human immunodeficiency virus type 1 (HIV-1). 6-Hydrazinylpyridine-3-carboxamide has also been shown to be an effective inhibitor of protein synthesis in animal cells and to inhibit tumor cell growth. Clinical trials have demonstrated that this compound can be used as an aneurysm sealant and as a cancer treatment.</p>

3-Oxo-3-(3-thienyl)propanenitrile is a metabolite of 3-oxothiopropanal. It is an analog of prostaglandin, which has been shown to have antiinflammatory properties. 3-Oxo-3-(3-thienyl)propanenitrile has been used in the treatment of adjuvant arthritis and was found to inhibit the production of prostaglandins.

<p>2-(Ethylamino)benzaldehyde (2-EABA) is a reactive, radiation-sensitive compound that can be used as a diagnostic agent. 2-EABA is the precursor of styryl dyes and coumarin derivatives. 2-EABA reacts with chloride to form an amide in the presence of hydroxyl groups. The amide reacts with aromatic hydrocarbons to produce cationic polymers. The reactive functional group of 2-EABA is an aldehyde group, which reacts with basic dyes to form diamines and diamides. In addition, it has been shown that 2-EABA can be used to detect chloride ions in water samples, owing to its high solubility in water.</p>

Versatile small molecule scaffold

<p>Versatile small molecule scaffold</p>

3-Phenoxycyclobutan-1-one is a chemical compound that belongs to the group of sulfoxides. It is an intermediate in the synthesis of other compounds, such as methyl esters and sulfones. 3-Phenoxycyclobutan-1-one can be synthesized by coupling with phenol and cyclohexanone in the presence of a base. 3-Phenoxycyclobutan-1-one is also a precursor for the synthesis of other compounds, such as dyes and pharmaceuticals. The conversion to 3-phenoxycyclobutanones requires pyrolysis at temperatures greater than 300°C.

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

<p>Versatile small molecule scaffold</p>

Versatile small molecule scaffold

Versatile small molecule scaffold

<p>3-Methoxy-2,5-furandione is a reactive functional group that belongs to the group of β-carboline alkaloids. It is used as a crosslinker in polyvinyl and iontophoresis applications, as well as a cross-linking agent for coatings or natural compounds. 3-Methoxy-2,5-furandione reacts with benzyl groups to form crosslinked products that are stable in acidic environments. This product is also used as an intermediate for the synthesis of tetronic acid (a coating) or reaction products.</p>

2-Chloro-6-(2-methylpropyl)pyridine-3-carbonitrile is a naphthyridine that has been correlated to the ionization of the molecule. The substituent on the nitrogen atom is not ionized, while the nitrogens on the ring are. This difference in ionization constants allows 2CMP to be used as a research tool for studying nucleic acids and proteins.

Versatile small molecule scaffold

<p>Versatile small molecule scaffold</p>

<p>Versatile small molecule scaffold</p>

Versatile small molecule scaffold

<p>Versatile small molecule scaffold</p>

<p>Versatile small molecule scaffold</p>

Versatile small molecule scaffold

Versatile small molecule scaffold

<p>Versatile small molecule scaffold</p>

<p>Versatile small molecule scaffold</p>

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

<p>Versatile small molecule scaffold</p>

<p>Versatile small molecule scaffold</p>

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Ethyl 5-aminopicolinate (EPA) is an ester that is used as a pharmaceutical intermediate. It is a white to off-white solid with a melting point of about 103 degrees Celsius. EPA can be prepared by reacting ethoxycarbonyl chloride with pyridinecarboxylic acid. The yield of the reaction is about 80%. There are three major hydrolysis products, which are phthalic acid, succinic acid, and pyridinium chloride. The nature of EPA's ester group makes it soluble in organic solvents such as ethers, chloroform, and benzene.

<p>Versatile small molecule scaffold</p>

Versatile small molecule scaffold

<p>Versatile small molecule scaffold</p>

Versatile small molecule scaffold

<p>Versatile small molecule scaffold</p>

Versatile small molecule scaffold

Versatile small molecule scaffold

(4-Benzyl-piperazin-1-yl)-acetic acid is a synthetic compound that belongs to the group of acetonitrile derivatives. It has been synthesized using formic acid and techniques such as mass spectrometry, liquid chromatography, and flow rate. The molecular weight of this compound is 240.16 g/mol. The molecular formula is C11H22N2O2 with a purity of 98%. This compound has been used in analytical methods such as liquid chromatography, gas chromatography, and flow rate analysis. It has also been used in research on kinetic analysis, activation energy measurements, and chromatographic characterization. (4-Benzyl-piperazin-1-yl)-acetic acid has been used to conjugate with various substances for use in spectrometric analyses.

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

<p>Versatile small molecule scaffold</p>

<p>Versatile small molecule scaffold</p>

<p>Versatile small molecule scaffold</p>

Versatile small molecule scaffold

Versatile small molecule scaffold

<p>Versatile small molecule scaffold</p>

Versatile small molecule scaffold

<p>Versatile small molecule scaffold</p>

Versatile small molecule scaffold