Building Blocks

<p>Ethyl 4-nitro-1-phenyl-1H-pyrazole-3-carboxylate (NPC) is a potent and selective antagonist of the a3 adenosine receptor. It binds to the receptor with high affinity and has been shown to inhibit adenosine-mediated activation of the phosphoinositide 3 (PI3) kinase pathway. NPC is in preclinical development for use as an antihypertensive agent, and has also been investigated as a potential treatment for asthma.</p>

<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>

<p>Versatile small molecule scaffold</p>

5,6-Dimethyl-4-nitro-1H-1,3-benzimidazole is a photoactive compound that reacts with ultraviolet light to form photoproducts. It has a strong absorption band at 335 nm and can be used as a reference in spectroscopic analysis. The compound has been shown to react with methanol in the presence of light to produce hydrogen cyanide and formaldehyde. 5,6-Dimethyl-4-nitrobenzimidazole can also react with water to produce hydrogen cyanide and formaldehyde.

<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>Pinostrobin is a chalcone that has been shown to inhibit the growth of certain fungi by inhibiting the enzyme activities involved in cell walls synthesis. Pinostrobin is converted to trans-2,3-epoxybutane (EPB) by intramolecular hydrogen transfer. EPB has an antifungal activity that is stronger than pinostrobin and it can be used as a fungicide against certain fungal diseases. This compound may also have anticancer effects. EPB binds to mammalian cells by forming hydrogen bonds with the amino acids, glutamine and asparagine, which are found in abundance on the surface of mammalian cells. EPB's binding to these amino acids prevents the formation of hydrogen bonds between glutamine and asparagine residues on adjacent protein molecules, leading to destabilization of the cell membrane and cell death.</p>

<p>Methyl 3-chloro-2,2-dimethylpropanoate is a drug that inhibits the sodium-dependent glucose cotransporter. It is used as a pharmaceutical to treat diabetes mellitus type 2. Methyl 3-chloro-2,2-dimethylpropanoate binds to the cotransporter and prevents it from transporting glucose into cells. The stereoisomers of this drug are enantiomers and have opposite effects on the cotransporter.<br>Methyl 3-chloro-2,2-dimethylpropanoate is also used for other medical purposes such as to prevent kidney damage in children with renal failure and to treat seizures in children with epilepsy.</p>

<p>Versatile small molecule scaffold</p>

<p>Versatile small molecule scaffold</p>

<p>Versatile small molecule scaffold</p>

Versatile small molecule scaffold

<p>Versatile small molecule scaffold</p>

<p>5-Chloro-2-furaldehyde is a chemical compound that belongs to the group of furanic compounds. It is a reactive intermediate in the palladium-catalyzed coupling of aryl chlorides with alcohols to form benzofurans. 5-Chloro-2-furaldehyde has been shown to induce apoptotic cell death in HL60 cells, which may be due to its ability to produce methoxylated chemical species. The mechanism by which 5-chloro-2-furaldehyde induces apoptosis is not known.</p>

<p>Versatile small molecule scaffold</p>

<p>Versatile small molecule scaffold</p>

Versatile small molecule scaffold

<p>Versatile small molecule scaffold</p>

<p>3-(tert-Butylamino)propionitrile is a n-substituted dipole with a molecular weight of 131.2. It has two conformations, the axial conformation and the conformational conformation. It is an electron rich compound with a positive charge on one end and a negative charge on the other end of the molecule that can be attributed to the tert-butyl group. 3-(tert-Butylamino)propionitrile is used in the preparation of hexahydropyrimidines, which are heterocycles that have been used as antihypertensive agents and anticonvulsants.</p>

<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>

<p>Versatile small molecule scaffold</p>

<p>Versatile small molecule scaffold</p>

<p>Versatile small molecule scaffold</p>

<p>Versatile small molecule scaffold</p>

Versatile small molecule scaffold

<p>Versatile small molecule scaffold</p>

1-Phenylcyclopentane-1-carbaldehyde is an alkylating agent that reacts with nucleophiles to form a cyclic adduct. This reaction can be used for synthesizing epoxides, ketones, and aldehydes. It is also used in the synthesis of pharmaceuticals and other organic compounds. 1-Phenylcyclopentane-1-carbaldehyde is a diastereoisomeric reagent that can transform between different stereochemical configurations. The axial conformation is more stable than the tetrahedral configuration.

<p>1-Methyl-5-(trifluoromethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione is a synthetase inhibitor. It has an active site that is exocyclic and nucleophilic. The trifluoromethyl group stabilizes the molecule in a reactive pseudo-first order kinetics. 1-Methyl-5-(trifluoromethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione has been shown to inhibit the synthesis of thymidylate and thus it can be used for the treatment of cancer.</p>

<p>Versatile small molecule scaffold</p>

3,9-Bis(3-aminopropyl)-2,4,8,10-tetraoxaspiro[5.5]undecane (BAPTA) is a chemical compound that is used as a diagnostic agent in magnetic resonance imaging. 3,9-Bis(3-aminopropyl)-2,4,8,10-tetraoxaspiro[5.5]undecane binds to the hydroxyl group of aromatic hydrocarbons and alters their conformation so that they can be detected by MRI. BAPTA also has immunomodulatory properties and has been shown to have antiviral activity against human cytomegalovirus (HCMV) and Pseudomonas aeruginosa. BAPTA is also an aliphatic hydrocarbon with a polycarboxylic acid group on one end and an amine group on the other end.

Versatile small molecule scaffold

<p>Methyl 3-aminonaphthalene-2-carboxylate, also known as 3-amino-N-(4-hydroxyphenyl)naphthalene-2-carboxamide, is a chiral molecule that has two stereogenic centers. The crystal structure of this compound is in the form of a pyridine ring with a methyl group on one side and an amine group on the other. This molecule can serve as a sensor by reacting with metal ions to form coordination complexes with chiral recognition sites. It participates in imine formation, which can be used to imprint cotton fabrics with patterns. 3-Aminonaphthalene-2-carboxylic acid (3ANAC) is an axial diastereomer of methyl 3ANAC. The signal for this compound is a pyridine ring at the top of the molecule.</p>

Versatile small molecule scaffold

<p>Versatile small molecule scaffold</p>

<p>Versatile small molecule scaffold</p>

<p>Versatile small molecule scaffold</p>

2,3,4,5-Tetrahydro-1-benzothiepin-5-one is a chemical compound that belongs to the class of chromanones. The molecule has three chiral centers and can exist as four stereoisomers. It is synthesized by reacting an allylic alcohol with sulfur and base in the presence of bromine. This chemical has been shown to have antituberculosis activity.

Versatile small molecule scaffold

<p>Versatile small molecule scaffold</p>

<p>6-Chloro-2,3-dihydroquinolin-4(1H)-one is a congestive heart remedy. It is an oxime that is used to treat acute or chronic congestion in the lungs, nose or throat. 6-Chloro-2,3-dihydroquinolin-4(1H)-one may also be used as a diluent for other medicines. This drug has been shown to cause hypotension and diuresis; however, it can also have adverse effects on the heart, such as arrhythmias and congestive heart failure.</p>

<p>Versatile small molecule scaffold</p>

<p>Diethyl 3-Cyclopentene-1,1-dicarboxylate is a chemical compound that is used as an intermediate in the synthesis of other organic compounds. It can be obtained by reacting hexane with malonate in the presence of a chiral catalyst. The reaction proceeds via alkylation and solvents are not required for this process. Diethyl 3-Cyclopentene-1,1-dicarboxylate has been shown to promote the reaction between diethyl ester and eluting in coordination chemistry. This compound has also been shown to be catalytic for metathesis reactions involving ethylene, propylene, and butadiene.</p>

2-(Cyclopent-1-en-1-yl)acetic acid (CPEAA) is a molecule that is found in food. It is an alkoxy radical, which are molecules with oxygen atoms attached to an alicyclic carbon atom. CPEAA has been shown to have various health benefits when taken as a functional food additive. It can stimulate the uptake of glucose from the blood into cells and reduce insulin resistance. CPEAA also has beneficial effects on liver cells by reducing hepatic steatosis, or fatty liver disease, and tuberculatus, a type of tuberculosis caused by Mycobacterium tuberculosis. The biosynthesis of 2-(Cyclopent-1-en-1-yl)acetic acid begins with acetate and ends with cyclopentanol.

<p>Versatile small molecule scaffold</p>

<p>Versatile small molecule scaffold</p>

<p>2-(Pyrrolidin-1-yl)aniline is a natural alkaloid that belongs to the group of pyrrolidines. It is a substrate for coupling reactions. 2-(Pyrrolidin-1-yl)aniline can be used as an oxidant and electrochemical catalyst. It is also used in the preparation of quinolinones, benzimidazoles, and dehydrogenation products such as vasicinone. 2-(Pyrrolidin-1-yl)aniline has nitrogen functional groups and can be used in metal catalyzed reactions.</p>

<p>Versatile small molecule scaffold</p>

<p>Versatile small molecule scaffold</p>

1,3-Diethyl 2-propanoylpropanedioate is a chiral drug that can be used for the treatment of respiratory diseases. It acts by inhibiting the muscarinic acetylcholine receptors in the lungs, which prevents bronchoconstriction and reduces mucus production. 1,3-Diethyl 2-propanoylpropanedioate is an active substance that belongs to a group of c1-6 alkyl drugs labeled with radioactive iodine-131. The labeling process involves substituting an atom of either carbon or hydrogen with an atom of iodine-131 to create a radioactive compound. This process can be used to identify substances that have similar properties, such as immunoassays and pharmacophores. The main difference between 1,3-diethyl 2-propanoylpropanedioate and its geometric isomers is the orientation of two methyl groups on the propanediol molecule. The

<p>Pyridine-3,5-diyldimethanol is a supramolecular compound that can be encapsulated in the form of palladium macrocycles. It has been shown to have high regioisomeric purity and excellent ligand efficiency. Pyridine-3,5-diyldimethanol is also a coordination compound with tridentate ligands. It can be used as a catalyst for organic reactions. Pyridine-3,5-diyldimethanol has been shown to react with various anions and halides in the presence of palladium as a catalyst. The reaction mixture is then purified by column chromatography or recrystallization. This chemical is also known by keywords such as "pyridinium", "pyridinium chloride", and "pyridine".</p>

<p>Versatile small molecule scaffold</p>

Versatile small molecule scaffold

<p>Versatile small molecule scaffold</p>

2H-1,2,3-Benzothiadiazine 1,1-dioxide is a molecule that binds to and inhibits the activity of the glutamatergic N-methyl-D-aspartate (NMDA) receptor. It is a stereoselective agent that binds to the receptor in a specific orientation. 2H-1,2,3-Benzothiadiazine 1,1-dioxide is an allosteric modulator that has been shown to attenuate glutamate excitotoxicity in vitro and in vivo. In animal studies it has been shown to reverse cognitive deficits induced by NMDA antagonists and potentiates the effects of aniracetam. 2H-1,2,3-Benzothiadiazine 1,1-dioxide is also a competitive inhibitor of cholinesterase with IC50 values of 4.5 µM and 3 µM for acetylcholinesterase and but

<p>2-Formylbenzene-1-sulfonyl chloride is a molecule that contains sulfur. It is used as an intermediate in the synthesis of other molecules. 2-Formylbenzene-1-sulfonyl chloride has been shown to be able to react with primary amines and chlorides, sulfuryl chloride, or alcohols to form azides, imidazoles, and sulfonates respectively. This reaction was studied using spectroscopic techniques.</p>

<p>Versatile small molecule scaffold</p>

<p>Versatile small molecule scaffold</p>

<p>Versatile small molecule scaffold</p>

<p>Versatile small molecule scaffold</p>

3-(Naphthalen-2-yl)propanoic acid is a phenolic compound that has been shown to inhibit the activity of tyrosinase. Tyrosinase is an enzyme that catalyzes the first step in melanin synthesis and is known to play a role in skin pigmentation. 3-(Naphthalen-2-yl)propanoic acid inhibits tyrosinase by binding to its active site, thereby blocking it from catalyzing the conversion of tyrosine to dopaquinone. The compound also has inhibitory effects on melanoma cells, which may be due to its ability to decrease the production of melanin. 3-(Naphthalen-2-yl)propanoic acid is structurally similar to hydroquinone, but lacks hydroxyl groups on its aromatic ring.

<p>Versatile small molecule scaffold</p>

Versatile small molecule scaffold

<p>(2S)-3-Methyl-2-(phenylamino)butanoic acid is a chemical that belongs to the group of aminobutanoic acids. It is used in the production of pharmaceuticals, agrochemicals, and plastics. (2S)-3-Methyl-2-(phenylamino)butanoic acid has been shown to be reactive with aryl halides, including benzene exposure, which may lead to oxidative stress. The compound has been used as a ligand for metal ions such as copper(II) and zinc(II). The ligand can be detected by gas chromatography/mass spectrometry. <br>The stereoselectivity of (2S)-3-Methyl-2-(phenylamino)butanoic acid is determined by the position of the hydrophobic group on the molecule. This compound's hydrophobic group is positioned on one side of the molecule due to its</p>

<p>Versatile small molecule scaffold</p>

<p>Versatile small molecule scaffold</p>

<p>D-Phenylalanine methyl ester is an analogue of the amino acid phenylalanine. It inhibits fatty acid synthesis by competitively binding to the enzyme acyl carrier protein, which regulates the incorporation of fatty acids into phospholipids. This inhibition prevents the production of cell membrane lipids and leads to cell death. D-Phenylalanine methyl ester has been used as a diagnostic agent for cancer because it can be detected in urine samples. It has also been shown to have growth factor activity, which may be responsible for its anticancer properties.</p>

Versatile small molecule scaffold

<p>3-Carbamimidoyl-1-(3-chloro-4-cyanophenyl)urea is a drug that has been shown to have an inhibitory effect on the growth of malaria parasites in vitro. It has also been shown to be effective against other organisms such as bacteria and fungi, including methicillin resistant Staphylococcus aureus (MRSA). 3-Carbamimidoyl-1-(3-chloro-4-cyanophenyl)urea is typically used with a diluent, which can be either water or ethanol. The drug is insoluble in water but soluble in ethanol, so it must be reconstituted before injection. This drug is targeted to the circumferential region of the parasite by an alkyl substituent that attaches to the erythrocyte membrane surface. 3-Carbamimidoyl-1-(3-chloro-4-</p>

<p>Versatile small molecule scaffold</p>

<p>Versatile small molecule scaffold</p>

<p>Versatile small molecule scaffold</p>

<p>1-Phenyl-1H-imidazol-2-amine is an ethylene ligand that has been used in the synthesis of polymers and copolymers. It is a monomer that has shown high activity in copolymerization with other monomers. One of its substituents, adamantyl, can be found in the microstructure of semicrystalline polymers and catalysts for polymerization reactions. The catalytic activity of 1-phenyl-1H-imidazol-2-amine can be improved by adding substituents to the imidazoline ring. 1-Phenyl-1H-imidazol-2-amine is a spectroscopic compound that exhibits infrared absorption bands at 3,200 cm–1 and 3,700 cm–1. It also absorbs strongly in the visible region at 614 nm and 538 nm.</p>

<p>Versatile small molecule scaffold</p>

<p>Versatile small molecule scaffold</p>

<p>Versatile small molecule scaffold</p>

<p>Versatile small molecule scaffold</p>

<p>Versatile small molecule scaffold</p>

4-(4-Chlorophenyl)-1,2,5-oxadiazol-3-amine is an aminofurazan derivative that serves as a precursor in the synthesis of sulfilimines. It can be oxidized to form 4-(4-chlorophenyl)imidazole and 4-(4-chlorophenyl)furazan. The conversion of 4-(4-chlorophenyl)imidazole to 4-(4-chlorophenyl)furazan can be accomplished by treatment with triphenylphosphine, m-chloroperoxybenzoic acid or dimethyldioxirane. Treatment with phosphine or trioctylphosphine yields the corresponding phosphine oxide or phosphonium salt. The sulfilimines are useful intermediates for the synthesis of aminofurazans, which have a variety of applications.

<p>Versatile small molecule scaffold</p>

Versatile small molecule scaffold

<p>2-Hydrazinotetrazole is an organic compound that can be synthesized from 2-amino-5-nitrotetrazole and hydrazine. The 2H-tetrazol-2-ylacetic acid (TZ) isomer has been shown to have resonance at 3.9 ppm. It also has a chemical shift of 3.3 ppm, which corresponds to the methylene groups in the molecule. When observed by magnetic resonance spectroscopy, it displays a doublet of triplets with an intensity ratio of 1:1:1. This indicates that there are three distinct isomers with different orientations in space, which correspond to the E, Z, and EZ isomers.</p>

Versatile small molecule scaffold

<p>2-(5-Phenyl-2H-1,2,3,4-tetrazol-2-yl)acetic acid (TZT) is a resonance stabilized molecule that has an antibonding interaction with the phenyl ring. The population of TZT conformers is dependent on the conformation of the acetate group and amide bond. TZT has been shown to have antiinflammatory properties in rats by inhibiting prostaglandin synthesis.</p>

<p>1-Phenylcyclopropanecarbaldehyde is a compound that inhibits the metabolic disorder of phenoxy, alkylthio group, and α7 nicotinic acetylcholine. It has been shown to have an inhibitory effect on inflammatory diseases. 1-Phenylcyclopropanecarbaldehyde has also been shown to be an antimicrobial agent against bacteria, fungi, and parasites. This compound is metabolized by hydrolysis, oxidation, or reduction. 1-Phenylcyclopropanecarbaldehyde contains a chlorine atom in its chemical structure and reacts with hydrogen peroxide to produce chloroform. The hydroxy group in this compound can react with the insulin receptor in cells of the pancreas to cause insulin resistance and subsequently diabetes mellitus.</p>

<p>Versatile small molecule scaffold</p>

2-(3-Bromopropyl)oxirane is an organic compound that has been synthesized by a process called asymmetric synthesis. This synthetic route is based on the use of synthons (asymmetric compounds) and requires that the product be expressed with a high degree of stereoselectivity. The orientation of the molecule must also be controlled to ensure that it is in the desired configuration. 2-(3-Bromopropyl)oxirane can be used as a synthon to produce enantiopure metalloporphyrins, which are often used in biological systems for electron transfer reactions or for photosynthesis. The strain imposed on the molecule during its synthesis can also be mimicked during biomimetic reactions to obtain products that are otherwise difficult to access.

<p>Versatile small molecule scaffold</p>

<p>Versatile small molecule scaffold</p>