Skeleton

The skeleton refers to the core structure of a small molecule. In computational chemistry, the skeleton concept is used to systematically separate and compare the core structures of active compounds, helping researchers identify molecules with different core structures that have similar activities. By summarizing the skeletons of known active compounds, a series of compounds can be generated to explore structure-activity relationships and be used for drug design.

Aromatic heterocycle compounds

Heterocyclic compounds can be divided into two categories: aliphatic heterocyclic compounds and aromatic heterocyclic compounds. They are the largest class of organic compounds. Aromatic heterocyclic compounds refer to cyclic compounds that are aromatic and contain heteroatoms. Heterocyclic compounds are commonly found in the structure of drug molecules. Most of the important compounds related to biology are heterocyclic compounds, such as nucleic acids, certain vitamins, antibiotics, hormones, pigments, and alkaloids. In addition, a variety of heterocyclic compounds Compounds with various properties have been artificially synthesized, some of which can be used as drugs, pesticides, herbicides, dyes, plastics, etc.

Benzimidazole compounds

Pyridine compounds

Pyran compounds

Pyrazole compounds

Oxadiazole compounds

Benzooxazole compounds

Isoxazole compounds

Benzofuran compounds

quinoline compounds

Isoquinoline compounds

Tetrahydroisoquinoline compounds

Naphthyridine compounds

Thiophene compounds

Thiazole compounds

Benzothiazole compounds

Triazine compounds

Tetrazole compounds

Indolin compounds

Benzothiophene compounds

Purine compounds

Benzodioxolane compounds

Benzodioxane compounds

Oxygen compounds

Other aromatic heterocycles compounds

Imidazole compounds

Pyrrole compounds

Pyrazine compounds

Pyridazine compounds

Oxazole compounds

Benzoisoxazole compounds

Furan compounds

Carbazole compounds

Quinoxaline compounds

Tetrahydroquinoline compounds

Pyrimidine compounds

Thiadiazole compounds

Thiazide compounds

Isothiazole compounds

Benzoisothiazole compounds

Triazole compounds

Indole compounds

Indazole compounds

Quinazoline compounds

Phthalazine compounds

Acridine compounds

Coumarin compounds

Chromone compounds

Pyridinium 1,4-zwitterionic thiolates compounds

Aliphatic heterocycle compounds

Aliphatic heterocyclic compounds are cyclic compounds with heteroatoms in the molecule and no aromaticity. The most common heteroatoms are nitrogen atoms, oxygen atoms, etc. There are currently 20 major categories, and the variety of spot aliphatic heterocyclic products is complete to meet your research needs .

Imidazoline compounds

Pyrrolidine compounds

Tetrahydropyran compounds

Oxazolidine compounds

Thiomorpholine compounds

Piperidine compounds

Thiazolidine compounds

Dioxolane compounds

Oxane compounds

Aziridine compounds

Imidazolidin compounds

Pyrroline compounds

Oxazoline compounds

Tetrahydrofuran compounds

Morpholine compounds

Piperazine compounds

Azetidine compounds

Meta-dioxole compounds

Oxetane compounds

Other aliphatic heterocycles compounds

Aromatic ring compounds

The parent of aromatic ring compounds is aromatic hydrocarbons. Aromatic hydrocarbons refer to hydrocarbons containing benzene rings in the molecule, which are mainly divided into monocyclic aromatic hydrocarbons, polycyclic aromatic hydrocarbons and condensed aromatic hydrocarbons. Aromatic hydrocarbons are important basic raw materials for organic chemical industry . Among them, benzene and xylene are raw materials for manufacturing various synthetic resins, synthetic rubbers and synthetic fibers. Advanced alkylbenzenes are important raw materials for manufacturing surfactants. Biphenyl in polycyclic aromatic hydrocarbons is used as a heat carrier in chemical processes. Naphthalene in condensed aromatic hydrocarbons is an important raw material for manufacturing dyes and plasticizers. Various oxygen-containing, chlorine-containing, nitrogen-containing and sulfur -containing aromatic derivatives are used to produce a variety of fine chemical products.

Benzene compounds

Anthracene compounds

Other aromatic rings compounds

Naphthalene compounds

phenanthrene compounds

Fatty ring compounds

Alicyclic compounds are carbon rings composed of three or more carbon atoms. Alicyclic compounds are widely found in nature, such as unsaturated alicyclic hydrocarbons and their oxygen-containing derivatives in plant essential oils, and saturated alicyclic hydrocarbons such as cyclohexane and methylcyclohexane and their derivatives in petroleum.

Cyclopropane compounds

Cyclopentane compounds

Other fatty ring compounds

Cyclobutane compounds

Cyclohexane compounds

Bridge Rings compounds

Bridged ring compounds refer to ring compounds in which any two rings share two or more carbon atoms. They are classified into bicyclic hydrocarbons, tricyclic hydrocarbons, tetracyclic hydrocarbons, etc. according to the number of constituent rings. The carbon atoms used by two or more rings are called bridgehead carbon atoms, and the bond connecting the bridgehead carbon atoms is called a bridge. Bridged ring structures are widely present in nature, such as alkaloids, steroid compounds, terpenoid compounds, etc.

Quinine Ring compounds

Other bridge ring compounds

Adamantane compounds

Chiral compounds

Refers to a class of simple organic compounds containing chiral carbon atoms. Chiral structures are widely present in organisms. In medicine, different stereochiral molecules have different physiological and chemical reactions in organisms, resulting in different pharmacological and toxicological effects. Therefore, the systematic study of chiral drug building blocks in terms of design, synthesis, purification and structural identification not only has high scientific research value for the development and application of new technologies for the synthesis of chiral products, but also has a great role in accelerating the development of new drugs in China.

Chiral Building Blocks

Chiral Resolution Reagent

Chiral Auxiliaries

Active Molecule Scaffold Library

Contains a library of molecular skeleton compounds with similar chemical structures or biological activities. These skeletons are usually derived from compounds with known activities through computational chemistry methods for further research and development. For example, through drug design, a series of compounds are explored to explore structure-activity relationships and generate specific compound libraries for new drug discovery and also for the study of biologically active molecules.

Allene compounds

It is a class of organic compounds with a unique chemical structure. Its molecules contain two cumulative double bonds, that is, two carbon-carbon double bonds are connected among three carbon atoms. Allene compounds are widely present in natural products, bioactive molecules and functional materials. They have important physiological and pharmacological activities and multiple reactivity. They have special reaction properties and wide applications in the fields of chemistry and biology. Therefore, their efficient synthesis is of great significance.

Fatty chain compounds

Aliphatic chains are also called open-chain compounds. The carbon atoms in the molecules are connected in chains and can be divided into saturated compounds and unsaturated compounds. In addition to carbon and hydrogen, they can also contain oxygen, nitrogen, sulfur, chlorine and other elements. Aliphatic compounds are an important class of compounds in the organic chemical industry. According to the characteristics of various compounds, they can be used in the preparation of fragrances and some drugs.

Spirol Rings compounds

Refers to a polycyclic compound in which two single rings share one carbon atom. Compared with the planar aromatic structure, the spiro structure has a larger three-dimensional structure and a more novel structure. From the perspective of drugability, the drugability of a compound is reduced when there are too many planar aromatic ring structures in the compound structure. Introducing spiro into drug molecules is not only easier to obtain patent protection, but also helps to improve the stability of the compound and improve pharmacokinetic properties. Therefore, the application of spiro in drug design has gradually attracted the attention of medicinal chemists, and many drugs currently on the market contain spiro structures.