Building Blocks

<p>Versatile small molecule scaffold</p>

<p>4-(Diaminomethylidene)amino-N-methylbenzoic acid (DABA) is a potent histone deacetylase inhibitor that has been shown to inhibit the growth of cancer cells in vitro. DABA binds to the hydrophobic pocket of the acetyltransferase domain of the HDAC enzyme and prevents its interaction with the substrate lysine, inhibiting histone acetylation. In addition, DABA also inhibits platelet aggregation by reducing ATP production in platelets, which may be due to its ability to inhibit protein kinase A activity. The molecular modeling study demonstrated that DABA fits well into the hydrophobic pocket of HDAC2, with potential for binding to other HDACs.</p>

<p>Ethyl 3-sulfanylbenzoate is a potent inhibitor of cytosolic phospholipase A2 (cPLA2). This enzyme is involved in the production of arachidonic acid, which is a precursor for prostaglandins and leukotrienes. Inhibition of cPLA2 prevents the release of arachidonic acid, reducing the production of inflammatory molecules. Ethyl 3-sulfanylbenzoate has been shown to inhibit platelet aggregation and reduce thrombus formation in vitro. The activity of this drug can be attributed to its substitution with electron-donating groups at the ortho position on the phenyl ring.</p>

<p>Methyl 2-hydroxy-3-methylpentanoate is a volatile chemical compound that is found in the essential oil of guajava fruit. It is an ester of a hydroxycarboxylic acid and an alcohol. This chemical has been identified by magnetic resonance spectroscopy and was found to be present in the headspace of guava fruit. Methyl 2-hydroxy-3-methylpentanoate interacts with the hydroxyl group of benzoic acid to form methyl benzoate, which is used as a food preservative. This compound can also be found in other plants such as psidium guajava, which is native to South America and has been used for centuries as a natural remedy for various ailments.</p>

<p>Ethyl 3-bromoprop-2-ynoate is a synthetic chemical that can be used as an ethynylation reagent in cross-coupling reactions. This compound has been shown to efficiently catalyze both Pd(0)- and Cu(I)-catalyzed cross-couples with good yields of the desired products. The stereochemistry of this reaction is not affected by the nature of the substrate, and it does not require any protecting groups. Ethyl 3-bromoprop-2-ynoate is useful for the synthesis of natural products such as amino acids, amides, and carbohydrates.</p>

<p>Versatile small molecule scaffold</p>

<p>1-((Pyridin-2-yl)methyl)piperidin-4-one is an organic compound that can be synthesized from piperidine and malonic acid. It is an antipsychotic agent that binds to the dopamine D4 receptor, which may be responsible for its antiangiogenic properties. 1-(Pyridin-2-yl)methyl)piperidin-4-one has been shown to inhibit the growth of human umbilical vein endothelial cells in culture and to block the formation of new blood vessels, as well as to reduce the volume of existing blood vessels. This drug also has a high yield in crystallization and is easy to synthesize from commercially available starting materials.</p>

<p>Versatile small molecule scaffold</p>

<p>5-Chloro-1,3-thiazol-2(3H)-imine (CTA) is a mutagen with the ability to induce point mutations in DNA. It binds to sulfur, which can be found in proteins and nucleotides. CTA has been shown to cause substitutions in Salmonella typhimurium TA100 and E. coli strains TA98 and TA1535. This compound has also been shown to have mutagenic activity against the organisms Escherichia coli and Pneumoniae, although it is not active against Ta10 or Ta1537.</p>

<p>Versatile small molecule scaffold</p>

<p>Versatile small molecule scaffold</p>

Versatile small molecule scaffold

<p>Versatile small molecule scaffold</p>

<p>The chemical structure of N-(4-ethoxybenzyl)-n-methylamine is C(O)NHCH3. It is a colorless liquid with a boiling point of 176°C and a melting point of -5°C. N-(4-ethoxybenzyl)-n-methylamine is soluble in water, ethanol, ether, acetone and benzene. The molecule contains carboxylic acid groups that can interact with nonpolar environments. Hydrogen bonds are also possible between the molecule and water molecules. This product has been used experimentally as a screening tool for interactions with other molecules. The chemical formula of this product is C8H14N2O2 and it has an empirical formula weight of 174.22 g/mol.</p>

<p>2-Methyl-6-methylideneocta-1,7-dien-3-one is a chemical substance that has been found to act as an attractant for insects. In assays, it was found to have significant chemotactic activity and also to be able to damage the wings of flies in both damaged and undamaged states. It has been shown that 2-methyl-6-methylideneocta-1,7-dien-3-one interacts with solid phase microextraction (SPME) fibers, which can be used for extracting the compound from samples. The chemical has been found to be active against Diptera and Lepidoptera species. 2MEMO can be used in treatments for controlling insects in agriculture or industry by attracting them and damaging their wings or preventing them from flying.</p>

<p>Versatile small molecule scaffold</p>

<p>4-Hydroxy-2,3-dihydro-1H-isoindole-1,3-dione is a nonpolymeric compound that has been shown to be an inhibitor of tumor growth. It inhibits the proliferation of tumor cells by binding to the hydroxyl group on the cell surface and inducing apoptosis. 4-Hydroxy-2,3-dihydro-1H-isoindole-1,3-dione also prevents the formation of inflammatory bowel disease in mice. This drug also absorbs infrared light and can be used as an absorber for infrared radiation.</p>

<p>1H-Indene-2-carboxylic acid is a 6-carboxylic acid that has been found to inhibit the growth of cancer cells in vitro. It has been shown to competitively inhibit the activation of peroxisome proliferator-activated receptor gamma (PPARγ), which is involved in controlling cell growth and differentiation. 1H-Indene-2-carboxylic acid also inhibits the activity of cytochrome P450 and induces apoptotic cell death, which may be due to its ability to activate caspase 3. This drug was also shown to increase levels of growth factors by upregulating expression of insulin like growth factor II (IGFII).</p>

<p>Versatile small molecule scaffold</p>

<p>Versatile small molecule scaffold</p>

<p>Versatile small molecule scaffold</p>

Versatile small molecule scaffold

<p>Methyl 4-amino-3,5-dichlorobenzoate is a reactive intermediate that is obtained by chlorination of 4-hydroxybenzoic acid. It is used in the synthesis of various esters and salts, such as 4-amino-3,5-dichlorobenzoic acid and methyl 3,5-dichlorobenzoyl chloride. This compound can be synthesized by saponifying the ester with stannous chloride or by hydrolyzing the ester with hydrochloric acid. The spectra of Methyl 4-amino-3,5-dichlorobenzoate are consistent with those reported for other compounds of this type. The chlorine atoms in Methyl 4-amino-3,5-dichlorobenzoate have a Cl to C ratio of 1:1.</p>

<p>3,5-Dichloro-4-methoxybenzaldehyde is a white crystalline solid that is soluble in water. It has been shown to inhibit the activity of oxidase enzymes, which are involved in the degradation of chlorinated hydrocarbons and other toxic substances. The compound also exhibits potent cytotoxicity against various cancer cells, including melanoma cells. 3,5-Dichloro-4-methoxybenzaldehyde is used as an intermediate for the production of vanillyl alcohol (VAN) and 4-methoxybenzaldehyde (MMB). It reacts with chlorine to produce chlorohydroxyl compounds that are used as pesticides or disinfectants. 3,5-Dichloro-4-methoxybenzaldehyde has been shown to be effective against plant diseases such as powdery mildew and black spot on roses. The compound is also used in the production of methyl cinnamate (MC) by reaction</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>2-[(1-Bromo-2-naphthyl)oxy]acetic acid is a fluorescent probe that is used in fluorescence data assays. It has a low molecular weight of 216.3 and fluoresces when excited with UV light. 2-[(1-Bromo-2-naphthyl)oxy]acetic acid has been shown to inhibit the production of oxidase enzymes in vitro, which are found in many bacteria and fungi. 2-[(1-Bromo-2-naphthyl)oxy]acetic acid is also a substrate for the enzyme assembly, which catalyzes the formation of peptide bonds between amino acids. The probe can be used as a marker for protein synthesis and has been shown to have anti-diabetic effects in vivo.</p>

<p>Versatile small molecule scaffold</p>

<p>Versatile small molecule scaffold</p>

<p>5-Amino-1,2,3,4-tetrahydronaphthalen-1-one is an organic compound that belongs to the class of heterocyclic compounds. It has been shown to act as a superacid and has been used in the synthesis of multidrug resistant cancer cells. 5-Amino-1,2,3,4-tetrahydronaphthalen-1-one also binds to topoisomerase II and III and inhibits DNA replication. The drug can also inhibit the function of p-glycoprotein and other multidrug resistant transporters at the cellular level.</p>

<p>Versatile small molecule scaffold</p>

3-{[2-(Morpholin-4-yl)ethyl]amino}propanenitrile is a prodrug that is metabolized to the active drug, 2-morpholinoethanol. It is used for the treatment of breast cancer and mastitis (inflammation of the breast). 3-{[2-(Morpholin-4-yl)ethyl]amino}propanenitrile has a high water solubility and high stability, which makes it an ideal candidate for injection as a sustained release drug. This drug can be injected into solid tumors that are difficult to treat with other drugs and may also be used in conjunction with chemotherapy. 3-{[2-(Morpholin-4-yl)ethyl]amino}propanenitrile inhibits the production of estrogen, which plays a role in the growth of some types of breast cancer cells.

<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>

<p>Versatile small molecule scaffold</p>

<p>Versatile small molecule scaffold</p>

<p>6-Hydroxy-2-methylnicotinonitrile is a reagent that is used for the condensation of aldehydes and amines. It can also be used to form enamines from primary amines with carbonyl compounds. Dimethyl acetal, dimethyl, methyl methacrylate, cyclized, methacrylate, acetal are some of the products that are made using 6-Hydroxy-2-methylnicotinonitrile.</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>N-Methylbenzenecarboximidamide hydrochloride is a chemical substance that belongs to the class of benzamidine. It is used as an intermediate in the synthesis of other chemicals and drugs, such as 3-methylcholanthrene, which is used for the treatment of cancer. N-Methylbenzenecarboximidamide hydrochloride is synthesized by solid-phase synthesis on a silica gel support using benzamidine as a starting material. The final product can be purified by chromatography with a solvent system consisting of hexane and ethyl acetate. This reaction mechanism involves oxidation of the methyl group to form an epoxide, followed by nucleophilic attack by water on the epoxide to form an enol. The enol undergoes reductive elimination to produce the desired product. The optimal reaction conditions are achieved at 60 degrees Celsius and a pH between 5 and 7.</p>

<p>Ethyl 2-acetyl-4-oxopentanoate is a modification of the molecule pentanoic acid. It is a functional molecule that can be modified by substitutions and modifications. The pharmacokinetic properties of this compound have been studied in rats, which showed that it has a high absorption rate when administered orally. Pharmacokinetic studies also revealed that ethyl 2-acetyl-4-oxopentanoate is metabolized to carboxyethyl 2-acetyl-4-oxopentanoate and pyridazine ethyl 2-acetyl-4-oxopentanoate, which are both neuropathic pain drugs with similar pharmacodynamics. This drug has shown promise as a lead compound for the treatment of neuropathic pain due to its α2δ subunit binding activity.</p>

<p>Versatile small molecule scaffold</p>

<p>3-Chlorophenylacetaldehyde is a chemical compound with the molecular formula CHClO. It is a colorless solid that crystallizes in the form of its dimers, (3-chlorophenyl)acetaldehyde and (3-chloro-2-phenylethynyl) acetaldehyde. It is an intermediate in the synthesis of other compounds, such as phenylethenes and annulated polycyclic aromatic hydrocarbons. 3-Chlorophenylacetaldehyde can be synthesized by transforming naphthalene or phenylethenes with heat or light. In addition, it can be synthesized from photodimerization of 2-(3-chlorophenyl)ethanol and phenylethanone. The transformation of 3-chlorophenylacetaldehyde to 3-(2-phenylethynyl) acetaldehyde can take place through a series of reactions including alkene formation, dimerization, carbon atom rearrangement and annulation</p>

<p>Versatile small molecule scaffold</p>

<p>Versatile small molecule scaffold</p>

<p>5-(1,3-Dioxaindan-5-yl)pentanoic acid is a natural product that was isolated from the leaves of peperomia. It has been shown to have antimicrobial effects against various bacteria and fungi, including methicillin-resistant Staphylococcus aureus (MRSA). This compound binds to bacterial DNA at the gyrase site, inhibiting transcription and replication. 5-(1,3-Dioxaindan-5-yl)pentanoic acid also inhibits protein synthesis by binding to the bacterial ribosomes.</p>

<p>Versatile small molecule scaffold</p>

<p>2-methyl-5-phenyl-2,4-dihydro-3H-pyrazol-3-one is a synthesized compound that has been studied by coupling with diamines and pyrazolones. The compound is also structurally related to arylamines.</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>

<p>Versatile small molecule scaffold</p>

<p>Versatile small molecule scaffold</p>

<p>Methyl 5-iodopyridine-2-carboxylate is an amino acid analog that specifically binds to lysine residues. This compound inhibits the incorporation of lysine into proteins, which may be important for the study of protein synthesis. Methyl 5-iodopyridine-2-carboxylate has been shown to react with aromatic amino acids and form amidines that are stable in aqueous solution. It can also react with tryptic peptides to yield model compounds.</p>

<p>Versatile small molecule scaffold</p>

<p>Versatile small molecule scaffold</p>

<p>1-Chloro-4-(2,2-diethoxyethoxy)benzene (1C4DEB) is a human chorionic gonadotropin (hCG) functional theory and polychlorinated biphenyls (PCBs) organocatalytic inhibitor. 1C4DEB binds to the active site of hCG and prevents the binding of follitropin, an allosteric modulator, to this site. This results in a decrease in the maximal response of hCG to follitropin. 1C4DEB has been shown to be an experimental model for pesticides that are known as dihedral bond cleavage agents.</p>

<p>Tolimidone is an enzyme inhibitor that binds to the active site of the enzyme HMG-CoA reductase. It inhibits the synthesis of cholesterol, leading to reduced levels of LDL and VLDL cholesterol. Tolimidone has also been shown to reduce plasma glucose and pro-inflammatory cytokines. This drug is currently being investigated as a potential treatment for high cholesterol and diabetes. The effective dose of tolimidone is not yet known, but it has been shown in vivo that it can lower cholesterol levels by up to 60%.</p>

Versatile small molecule scaffold

<p>The synthesis of diethyl 3,4-pyrroledicarboxylate was achieved by copolymerizing the monomers 1,2-diethoxyethane and 2,5-dimethoxytetrahydrofuran. This compound can be synthesized in a stereoselective way and is a stereospecific intramolecular hydrogen donor. The compound has been shown to inhibit the growth of leukemia cells and other cancer cells in vitro. It also induces cell death in HL-60 cells by producing reactive oxygen species (ROS). This compound has also been shown to have antitumor activity against L1210 cells and is an inhibitor of DNA synthesis.</p>

<p>Versatile small molecule scaffold</p>

<p>5-Methoxy-1H-indazole-3-carboxylic acid amide is a glycogen synthase kinase 3 (GSK3) inhibitor. GSK3 is a serine/threonine protein kinase that regulates glycogen synthase and phosphorylates tau proteins. 5-Methoxy-1H-indazole-3-carboxylic acid amide has been used in the treatment of type 2 diabetes mellitus, Alzheimer's disease and other neurological disorders. The cocrystal structure of 5-methoxy indazole carboxamide with glycogen synthase was determined at 1.2 Å resolution.</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>

<p>5-Amino-1-benzyl-1H-pyrazole-4-carbonitrile is a receptor antagonist that belongs to the group of diazonium salts. It has been shown to bind selectively to high levels of purine receptors in the heart, lungs, and kidneys. This drug has also been shown to be an effective inhibitor of smooth muscle cell proliferation, which can reduce the risk of pulmonary hypertension. 5-Amino-1-benzyl-1H-pyrazole-4-carbonitrile has been synthesized and tested for clinical studies. The compound has shown potency against diazotization reactions with biological activity.</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>

<p>Versatile small molecule scaffold</p>

<p>5-Acetyl-4-hydroxy-3,6-dihydro-2H-1,3-thiazine-2,6-dione is a phenolate which has been shown to have antibacterial activity. It binds to the thiol group of the enzyme hepg2 and inhibits its activity. This leads to a decrease in cell growth and eventually cell death. 5-Acetyl-4-hydroxy-3,6-dihydro-2H-1,3-thiazine - 2,6 - dione has been found to be effective against strains of Staphylococcus and other bacteria that are resistant to penicillin. 5ADHTD has also been shown to have kinetic and thermodynamic properties that make it a good candidate for use as an antibiotic.</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>

<p>Versatile small molecule scaffold</p>

<p>Versatile small molecule scaffold</p>

<p>2-Hydroxy-2-[4-(propan-2-yl)phenyl]acetonitrile, or bornyl acetate, is a volatile chemical compound. It is a colorless liquid with a strong odor that is sometimes described as fruity and citrusy. The smell of this chemical is often compared to the scent of oranges or apricots. Bornyl acetate has been found in Hymenoptera (bees and wasps), mandelonitrile, and borneol. This chemical also has a slight acidic taste to it.</p>

<p>Versatile small molecule scaffold</p>

<p>Versatile small molecule scaffold</p>

<p>Versatile small molecule scaffold</p>

<p>2,2-Dihydrobenzofuran-1,3-dione is a heterocyclic compound that contains nitrogen atoms and unsaturated bonds. The reaction of the aniline with the acid chloride in the presence of hydrochloric acid leads to the formation of benzofuran-2,3-dione. This compound can be converted to 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanenitrile by reacting it with triazole in an organic solvent such as ethanol or methanol.</p>

<p>3-Hydroxy-1-naphthaldehyde is a potential drug target that is involved in the functional theory of hydrogen bonding. It is an acidic molecule that has been shown to be able to enhance proton transfer, which leads to increased plasma glucose levels. 3-Hydroxy-1-naphthaldehyde has been shown to have low energy and a dipole, which makes it an ideal fluorophore for use in ultrafast measurements. The molecule has also been found to be a drug target due to its ability to bind with other molecules through hydrogen bonds.</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>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>

<p>Versatile small molecule scaffold</p>