Building Blocks

Versatile small molecule scaffold

The chemical compound 5-Ethoxy-2-hydroxybenzaldehyde is an aldehyde that has been synthesized by reacting sodium carbonate with 2,5-dichloro-4-ethoxybenzaldehyde. This reaction creates a sodium salt of the aldehyde and leaves behind the desired product in its pure form. It is soluble in water and ethanol. The chemical structure of this compound consists of a benzene ring with two hydroxyl groups on the opposite side of the ring from each other.

Versatile small molecule scaffold

2,4-Dichloro-3-nitroquinoline is a chemotherapeutic drug that belongs to the class of epidermal growth factor receptor (EGFR) inhibitors. This agent has anticancer activity against cells in the G1 phase of the cell cycle and may also have some antiproliferative effects on tumor cells. 2,4-Dichloro-3-nitroquinoline binds to EGFR and inhibits the binding of epidermal growth factor (EGF) to its receptor. This binding causes the activation of downstream signaling pathways that regulate cell proliferation. Computer modeling has been used to determine how this compound interacts with other molecules such as hydrogen bonds, nucleophilic substitution, and organic solvents.

2,6-Dimercaptopurine (2,6-DMP) is an immunosuppressive drug that is used to prevent organ transplants from being rejected. It blocks the synthesis of DNA and RNA in cells by inhibiting the enzyme thymidylate synthase. The reaction mechanism involves a nucleophilic attack on the phosphorus atom of 2,6-DMP by a proton from water or another nucleophile such as urea or ammonia. 2,6-DMP is metabolized through a number of tautomeric forms, which are neutral and acidic in pH. One example of this is when 2,6-DMP reacts with hydrochloric acid to form a conjugate base that can be excreted in urine.

4-Chloro-2-nitrotoluene is a chemical compound that is a nitro derivative of toluene. It is a white crystalline solid with the formula CHClNO. 4-Chloro-2-nitrotoluene has been shown to have constant boiling point, vibrational frequency and zirconium content at constant pressure. The thermodynamic properties of this compound are also constant, with values for free energy and entropy being -28.5 and 115.5 respectively. The molecule can be described by the functional theory, which states that it contains one nitro group and one monocarboxylic acid group in its molecular structure. 4-Chloro-2-nitrotoluene can be optimised using computational methods such as databases or molecular modeling software where it can be introduced into other molecules to form new compounds.BR>BR> 4-Chloro-2-nitrotoluene (CH

Versatile small molecule scaffold

Versatile small molecule scaffold

2-Hydrazinylpyridin-3-amine is an anticancer drug that functions as a prodrug. The hydrochloride salt of 2-hydrazinylpyridin-3-amine is formed by the reaction of the drug with hydrochloric acid. This product has been shown to have anticancer activity in vitro and in vivo and can be used for the treatment of breast cancer. It is also used for other types of cancer, such as prostate cancer or pancreatic cancer. The mechanism by which 2-hydrazinylpyridin-3-amine induces cell death is unclear, but it may involve inhibition of DNA synthesis and prevention of DNA repair.

Versatile small molecule scaffold

3-Methoxycyclobutan-1-one (3MCO) is an electron donor and is capable of undergoing electrochemical oxidation. 3MCO has been shown to oxidize electron acceptors, such as hydrocarbons, and transfer the electrons to a second electron acceptor. The mechanism of this process is thought to be a three-electron transfer, which is also known as a "polycyclic" reaction. 3MCO has also been shown to have anti-inflammatory properties by inhibiting prostaglandin synthesis in mice with lung cancer.

Versatile small molecule scaffold

Versatile small molecule scaffold

2-Bromo-1,3,5-triisopropylbenzene is an ethylene acetal that is prepared by the catalyzed reaction of aryl chlorides and anhydrous zinc bromide in the presence of triethylamine. The selectivities of this method are high because it can produce mainly a single isomer. The stereoselectivity is also high because the reaction proceeds with the formation of only one stereoisomer. The mechanism for this reaction involves a nucleophilic substitution of the halogenated aryl chloride with the trialkylborane, which generates two different products. This product has been used in the synthesis of biphenyls and nitro compounds.

Bromoacetaldehyde diethyl acetal (BDAE) is an organic compound that has been shown to have receptor binding activity. BDAE binds to the ethylene diamine receptor and competes with ethylene diamine for binding sites. It also forms acid from sodium carbonate and hydrochloric acid, which may be due to its ability to act as a solid catalyst. BDAE has shown activity in hiv infection, with a potency comparable to that of dimethyl fumarate. The synthesis of BDAE can be accomplished by reacting monosodium malonate ester hydrochloride with adenine nucleotide and malonic acid. The reaction solution is heated until the desired product crystallizes out of solution.

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Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

3-Chloro-4-phenyl-1,2,5-thiadiazole is a chemical compound with an alkoxy group (C6H4O), an organotin group (CH3Sn), and a 1-6c alkyl group. It has been used in the manufacture of medicines and agrochemicals as a reactant or catalyst. 3-Chloro-4-phenyl-1,2,5-thiadiazole is also used industrially as a trifluoromethylation reagent for phenols and thiols.

Versatile small molecule scaffold

Versatile small molecule scaffold

2-Nitro-1H-benzo[d]imidazole is an analog of benzimidazole compounds. It is used in the preparation of antibodies. 2-Nitro-1H-benzo[d]imidazole reacts with hydrochloric acid to form a trifluoroacetic acid, which can be purified by trichloroacetic acid and recrystallized from methanol. The purity of the product can be checked using a UV spectrophotometer, and it has a melting point of 141°C.

Versatile small molecule scaffold

3-Phenylpent-4-enoic acid is a natural product that is obtained from the lipophilic fraction of various plant species. It can be synthesized using chemoenzymatic reactions. 3-Phenylpent-4-enoic acid can be used as a chiral chemical intermediate in the synthesis of other compounds, such as olefinic compounds and alkene derivatives. This compound has been shown to have promiscuous reactivity, which is characterized by its ability to catalyze metathesis reactions with high enantiomeric excess. The isolated yield for this reaction was high at 96%.

2-(2-Methylpropyl)butanedioic acid is an uncatalyzed chemical reaction that is used for the treatment of wastewater. It is a chiral compound, which means it has a non-superimposable mirror image. 2-(2-Methylpropyl)butanedioic acid can be synthesized by homochiral reactions, which are reactions that uses only one type of chiral molecule to produce a chiral product. The rate of this reaction is controlled by the concentration of reactants and the temperature at which it occurs. This reaction mechanism involves the formation of an enolate ion from 2-(2-methylpropyl) butanedioic acid, followed by deprotonation to form the conjugated enolate. Leukocyte elastase is an enzyme that breaks down elastin in cells, and this enzyme may be inhibited by gabapentin.

3-phenylpentanoic acid is an impurity of 2-phenylbutyric acid, which is used in the synthesis of some pharmaceuticals. It is also an optical isomer of 3-phenylpropanoic acid. The compound has been shown to inhibit the growth of pseudomonas strains and may be useful in the treatment of neurotoxicity. The precise mechanism by which 3-phenylpentanoic acid inhibits bacterial growth is not known, but it has been speculated that it may inhibit the synthesis of proteins, RNA, or DNA. This compound can be synthesized chemoenzymatically from 2-phenylethyl esters and proton donors, such as ethylene glycol and formaldehyde. The enantiomers can be separated by chiral HPLC.

2-Benzylbutanoic acid is a molecule that belongs to the class of β-amino acids. It is used as a drug for treating chronic pulmonary disease, and in pharmaceutical preparations for treating bowel disease, fatty acid metabolism disorders, and inflammatory diseases. 2-Benzylbutanoic acid has been shown to inhibit the activity of enzymes such as hydroxylases, which are involved in the synthesis of prostaglandins. Prostaglandins are involved in many physiological processes including pain perception and inflammation. 2-Benzylbutanoic acid has also been shown to have hypoglycemic effects on mice with diabetes mellitus type 1 when administered orally or intraperitoneally.

Versatile small molecule scaffold

Versatile small molecule scaffold

1-Methylpiperidine-3-carboxylic acid (1MP) is a neurotoxic compound that can be synthesized in vivo by the oxidation of choline. It has been shown to have a natriuretic and diuretic effect on the kidney, as well as stimulating the release of atrial natriuretic peptide. 1MP also has an agonistic effect on the dopamine receptors, and is a competitive antagonist for the binding of betaines to skin cells. Betaines are substances that are found in many foods, including wheat germ and spinach, which have been linked to nerve cell death in rats.
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N-Hydroxypyridine-3-carboxamide is a hydroxylated metabolite of nicotinic acid that has been shown to have skin conditioning properties. The optimum pH for this product is 3.5 and its biological properties include an inhibitory effect on viral replication and a galacturonic acid complex. N-Hydroxypyridine-3-carboxamide also exhibits a high degree of hemolytic activity, which may be due to the methyl nicotinate moiety or the carbonyl oxygens present in this compound.

3-Prop-2-ynyloxy-benzaldehyde is a crystalline compound that can be used as an intermediate for the synthesis of azides. The crystal structure of 3-prop-2-ynyloxybenzaldehyde was determined by X-ray crystallography. This molecule has four nitro groups, which are in the form of methylenes. The active methylene is a tetradentate amine, which coordinates to the chloride ion and forms a supramolecular complex with it. The chloroformate group is also coordinated to this chloride ion. The azide group is coordinated to the chloride ion through an N–N bond, and the nitro group is coordinated through an N–O bond. This molecule has a high degree of symmetry due to its rigid geometry and planarity, which helps in its efficient synthesis methods.

Versatile small molecule scaffold

5-Phosphonopentanoic acid is a neurotransmitter that activates voltage-dependent calcium channels and integrin receptors. It has been shown to bind to the dopamine receptor, as well as to other receptors such as the NMDA, GABA, and AMPA receptors. 5-Phosphonopentanoic acid also plays an important role in energy metabolism and neuronal function. This chemical can be used pharmacologically to study receptor activity, which may lead to a better understanding of brain functions and physiological mechanisms. In addition, 5-phosphonopentanoic acid is used in the production of electrochemical detectors for detecting histological tissue changes or pathological conditions.

5,6-Dihydrocyclopenta[b]thiophen-4-one is a heterocycle that is formed from the condensation of two molecules of propanedioic acid. The reaction occurs in a catalytic fashion at 160 degrees Celsius. The yield of this reaction is low and no other information on reactivity or topology has been found.

2-Hydroxy-1-phenylpropan-1-one is a propiophenone derivative that is synthesized from phenol and acetone. The asymmetric synthesis of 2-hydroxy-1-phenylpropan-1-one has been achieved using magnetic particles and dry weight measurement, which are used to optimize the process. The biotransformations of 2-hydroxy-1-phenylpropan-1-one include oxidative injury, metal chelate formation, and salicylaldoxime formation. This compound has been shown to be toxic in rat liver microsomes at concentrations of 10 μM. It also displays hepatoprotective properties in liver cells grown under immobilized conditions. Structural analysis has shown that this compound is a chiral molecule with two stereocenters located at the alpha carbon atom and the beta carbon atom.

Versatile small molecule scaffold

4-Amino-2,3-dimethyl-benzoic acid is a benzene derivative that has been detected in wastewater treatment plants at median concentrations of 3.2 μg/L. It is used as a sunscreen agent and can be found in sunscreens, cosmetics, and soaps. 4-Amino-2,3-dimethyl-benzoic acid has been shown to induce cancer in the skin of mice. This drug may also have effects on the production of reactive oxygen species that cause DNA mutations. 4DMBBA binds to proteins and nucleic acids by hydrogen bonding interactions with amino groups. The binding of 4DMBBA to DNA prevents the transcription of genes encoding proteins involved in DNA repair, leading to cell death and cancer.

Versatile small molecule scaffold

2-(3,7-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)acetic acid is a molecule used in various industries. It is an organic solvent that can be used to deodorize and clean surfaces. This compound is also used as a diagnostic agent for animal health. 2-(3,7-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-- 1yl)acetic acid has been shown to have carboxylic acid group properties. It can be found in the leaves of marrubium and caffeic acid.

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

1-(2-Methylphenyl)propan-2-amine is a fatty acid ester that is used as an excipient in pharmaceutical dosage forms. It is used to increase the viscosity of drug solutions and suspensions, and to provide a protective coating for tablets. 1-(2-Methylphenyl)propan-2-amine is insoluble in water, but soluble in organic solvents such as alcohols and acetone. It can be prepared by reacting a primary amine with a fatty acid chloride or anhydride. The compound has been shown to have high affinity for 5HT2A receptors in vitro, which may account for its psychoactive effects.

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

1-[(4-Chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-1H-pyrazole-3-carboxylic acid is an amide that inhibits the growth of bacteria by inhibiting the coagulation process. It has been shown to have significant anti-inflammatory activity in a rat model of thrombosis and in a mouse model of brain tumor. 1-[(4-Chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-1H pyrazole 3 carboxylic acid is also used as a copper chelator. This compound binds to copper ions and prevents them from catalyzing reactions that are important for bacterial cell wall synthesis.

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

2-Methoxy-5-(piperidine-1-sulfonyl)aniline is a chemotherapeutic agent that inhibits the proliferation of human cancer cells. It binds to the bromodomain, a protein domain of about 250 amino acids, which is found in many proteins and regulates gene expression. The affinity of 2-methoxy-5-(piperidine-1-sulfonyl)aniline for the bromodomain is much higher than other antiproliferative agents such as taxol or vinca alkaloids. This compound has synergistic effects with other chemotherapeutic drugs such as paclitaxel, vinblastine, or docetaxel.