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medicinal chemistry

" in MedChemExpress (MCE) Product Catalog:

By Targets:	5-HT Receptor (1) Apoptosis (1) Beta-secretase (1) Biochemical Assay Reagents (3) Dopamine Receptor (1) FAK (1) HIV (1) Parasite (1) Sirtuin (1)
By Research Areas:	Cancer (1) Infection (2) Metabolic Disease (1) Neurological Disease (2)

Inhibitors & Agonists

Screening Libraries

Biochemical Assay Reagents

Natural
Products

Cat. No.	Product Name	Target	Research Areas	Chemical Structure

HY-B0055

Azulene Cyclopentacycloheptene	HIV	Infection
Azulene (Cyclopentacycloheptene) is as an isomer of naphthalene with high anti-HIV activity. Azulene, isolated from the distillation of chamomile oil, is a scaffold in medicinal chemistry .

HY-W027592

1H-1,2,4-Triazol-3-amine	Biochemical Assay Reagents	Others
1H-1,2,4-Triazol-3-amine consists of a triazole ring system and an amino group attached to carbon atom 3. The compound has potential applications in various fields such as medicinal chemistry, agrochemicals and material science. In medicinal chemistry, 1H-1,2,4-Triazol-3-amine is used as a starting material for the synthesis of pharmaceutical compounds such as antifungal agents, anticancer agents, and enzyme inhibitors associated with cardiovascular disease. In agrochemicals, it can be used as a raw material for the synthesis of herbicides, fungicides and insecticides. Furthermore, 1H-1,2,4-Triazol-3-amine is used as a ligand in coordination chemistry and as a precursor for the production of new functional materials such as polymers and metal-organic frameworks.

HY-134570

ZINC40099027	FAK	Metabolic Disease
ZINC40099027 is a FAK activator. ZINC40099027 promotes FAK phosphorylation, inducing mucosal healing in murine models. ZINC40099027 can be used for Gastroduodenal ulcer disease research .

HY-151092

Anticancer agent 77

Apoptosis Cancer

Anticancer agent 77 (Compound 6c) shows anticancer activity, and can be widely used in synthesis and medicinal chemistry research .

Anticancer agent 77	Apoptosis	Cancer
Anticancer agent 77 (Compound 6c) shows anticancer activity, and can be widely used in synthesis and medicinal chemistry research .

HY-130244

BACE1-IN-5	Beta-secretase	Neurological Disease
BACE1-IN-5 (Compound 15) is a β-site amyloid precursor protein cleaving enzyme 1 (BACE1) inhibitor with an IC₅₀ of 9.1 nM, and also inhibits cellular amyloid-β (Aβ) with an IC₅₀ of 0.82 nM. BACE1-IN-5 has a medicinal chemistry that improves hERG inhibition and P-gp efflux .

HY-W095635

Tetramethylammonium fluoride tetrahydrate	Biochemical Assay Reagents	Others
Tetramethylammonium fluoride tetrahydrate (TMAF) is a quaternary ammonium salt. TMAF is commonly used as a weak base and a source of fluoride ions in various organic reactions, including nucleophilic substitution, functional group deprotection, and ring-opening polymerization. Unlike other fluoride sources, TMAF is compatible with many functional groups, making it a versatile tool in synthetic chemistry. Functional reagents, In addition, TMAF has been used as a fluorinating agent in medicinal chemistry, for the preparation of radiotracers and protein modification in biochemistry, and the tetrahydrate form of TMAF is more stable and easier to handle than the anhydrous form.

HY-155378

PZ-1190

5-HT Receptor Dopamine Receptor Neurological Disease

PZ-1190 is a multitarget ligand for serotonin and dopamine receptors with potential antipsychotic activity in rodents .

PZ-1190	5-HT Receptor Dopamine Receptor	Neurological Disease
PZ-1190 is a multitarget ligand for serotonin and dopamine receptors with potential antipsychotic activity in rodents .

HY-W087964

Dodecanedioyl dichloride	Biochemical Assay Reagents	Others
Dodecanedioyl dichloride, Dodecanedioyl dichloride is commonly used in organic synthesis as a general building block for the preparation of various polymers and plastics, including nylon 12 and polyester resins, it can be used to introduce acid chloride groups into other organic molecules, which can then be further reaction to form more complex compounds, moreover, it has been used in medicinal chemistry as a starting material for the synthesis of various drugs and drug candidates.

HY-W020111

7-Chloro-4-(piperazin-1-yl)quinoline	Sirtuin Parasite	Infection
7-Chloro-4-(piperazin-1-yl)quinolone is an important scaffold in medicinal chemistry. 7-Chloro-4-(piperazin-1-yl)quinolone is a potent sirtuin inhibitor and also inhibits the serotonin uptake (IC₅₀ of 50 μM). 7-Chloro-4-(piperazin-1-yl)quinolone exhibits antimalarial activity on D10 and K1 strains of *P. falciparum* with IC₅₀s of 1.18 μM and 0.97 μM, respectively .

Cat. No.	Product Name

HY-L0120V

Asinex BioDesign Library	170,269 compounds
“BioDesign” approach incorporates key structural features of known pharmacologically relevant natural products (e.g. alkaloids and other secondary metabolites) into synthetically feasible medicinal chemistry scaffolds. In order to identify the privileged pharmacophores, ring systems and linkers, we have carried out statistical analysis of structural features of natural products, marketed drugs, and drug candidates. Saturated, fused ring, spiro, and bridged systems with a tendency towards multiple chiral centers are highly privileged among natural products and marketed drugs yet these structures are very poorly represented in commercial libraries. This library addressed this market need by incorporating these privileged elements into the design of novel synthetic molecules with high molecular framework diversity, multiple stereogenic centers (≥2), and degree of saturation (Fsp3 > 0.5).

Asinex BioDesign Library

170,269 compounds

“BioDesign” approach incorporates key structural features of known pharmacologically relevant natural products (e.g. alkaloids and other secondary metabolites) into synthetically feasible medicinal chemistry scaffolds. In order to identify the privileged pharmacophores, ring systems and linkers, we have carried out statistical analysis of structural features of natural products, marketed drugs, and drug candidates.

Saturated, fused ring, spiro, and bridged systems with a tendency towards multiple chiral centers are highly privileged among natural products and marketed drugs yet these structures are very poorly represented in commercial libraries. This library addressed this market need by incorporating these privileged elements into the design of novel synthetic molecules with high molecular framework diversity, multiple stereogenic centers (≥2), and degree of saturation (Fsp3 > 0.5).

HY-L138

Heterocyclic Compound Library	6016 compounds
Heterocyclic compounds are cyclic organic compounds which contain at least one hetero atom, the most common heteroatoms are nitrogen, oxygen ,and sulfur. Heterocycles are common in biology, featuring a wide range of structures from enzyme co-factors to amino acids and proteins. On the one hand, heterocycles are common structural units in approved drugs and in medicinal chemistry targets in the drug discovery process. In addition, heterocycles have been found as a key structure in medical chemistry and also they are frequently found in large percent of biomolecules such as vitamins, natural products ,and biologically active compounds including antifungal, anti-inflammatory, antibacterial, antioxidant, antiallergic, anti-HIV, antidiabetic, anticancer activity. MCE offers a unique collection of 6016 heterocyclic compounds which can be used for drug discovery for high throughput screening (HTS) and high content screening (HCS). MCE heterocyclic compound library is critical for drug discovery and development.

Heterocyclic Compound Library

6016 compounds

Heterocyclic compounds are cyclic organic compounds which contain at least one hetero atom, the most common heteroatoms are nitrogen, oxygen ,and sulfur. Heterocycles are common in biology, featuring a wide range of structures from enzyme co-factors to amino acids and proteins. On the one hand, heterocycles are common structural units in approved drugs and in medicinal chemistry targets in the drug discovery process. In addition, heterocycles have been found as a key structure in medical chemistry and also they are frequently found in large percent of biomolecules such as vitamins, natural products ,and biologically active compounds including antifungal, anti-inflammatory, antibacterial, antioxidant, antiallergic, anti-HIV, antidiabetic, anticancer activity.

MCE offers a unique collection of 6016 heterocyclic compounds which can be used for drug discovery for high throughput screening (HTS) and high content screening (HCS). MCE heterocyclic compound library is critical for drug discovery and development.

HY-L084

Microbial Metabolite Library	577 compounds
Nature has been a source of medicinal products for millennia, with many useful active substances developed from plant sources. In the 20th century, the discovery of the penicillin was the starting point for drug discovery from microbial sources. Microorganisms， which have been considered to be a rich source of unique bioactive compounds, play an important role in the development of the chemistry of natural products and medical therapy. Microbial metabolites have proved to be affective antimicrobial agents, anti-tumor agents, enzyme inhibitors, anti-inflammatory agents, etc. Today, many microbial-originated antibiotics are available in the mark, and a large number of bioactive metabolites are used in medicine. MCE provides a unique collection of 577 microbial metabolites, which is an important source of lead compounds and can be used for drug discovery.

Microbial Metabolite Library

577 compounds

Nature has been a source of medicinal products for millennia, with many useful active substances developed from plant sources. In the 20th century, the discovery of the penicillin was the starting point for drug discovery from microbial sources. Microorganisms， which have been considered to be a rich source of unique bioactive compounds, play an important role in the development of the chemistry of natural products and medical therapy. Microbial metabolites have proved to be affective antimicrobial agents, anti-tumor agents, enzyme inhibitors, anti-inflammatory agents, etc. Today, many microbial-originated antibiotics are available in the mark, and a large number of bioactive metabolites are used in medicine.

MCE provides a unique collection of 577 microbial metabolites, which is an important source of lead compounds and can be used for drug discovery.

Cat. No.	Product Name	Type

HY-W027592

1H-1,2,4-Triazol-3-amine	Biochemical Assay Reagents
1H-1,2,4-Triazol-3-amine consists of a triazole ring system and an amino group attached to carbon atom 3. The compound has potential applications in various fields such as medicinal chemistry, agrochemicals and material science. In medicinal chemistry, 1H-1,2,4-Triazol-3-amine is used as a starting material for the synthesis of pharmaceutical compounds such as antifungal agents, anticancer agents, and enzyme inhibitors associated with cardiovascular disease. In agrochemicals, it can be used as a raw material for the synthesis of herbicides, fungicides and insecticides. Furthermore, 1H-1,2,4-Triazol-3-amine is used as a ligand in coordination chemistry and as a precursor for the production of new functional materials such as polymers and metal-organic frameworks.

1H-1,2,4-Triazol-3-amine

Biochemical Assay Reagents

1H-1,2,4-Triazol-3-amine consists of a triazole ring system and an amino group attached to carbon atom 3. The compound has potential applications in various fields such as medicinal chemistry, agrochemicals and material science. In medicinal chemistry, 1H-1,2,4-Triazol-3-amine is used as a starting material for the synthesis of pharmaceutical compounds such as antifungal agents, anticancer agents, and enzyme inhibitors associated with cardiovascular disease. In agrochemicals, it can be used as a raw material for the synthesis of herbicides, fungicides and insecticides. Furthermore, 1H-1,2,4-Triazol-3-amine is used as a ligand in coordination chemistry and as a precursor for the production of new functional materials such as polymers and metal-organic frameworks.

HY-W095635

Tetramethylammonium fluoride tetrahydrate	Biochemical Assay Reagents
Tetramethylammonium fluoride tetrahydrate (TMAF) is a quaternary ammonium salt. TMAF is commonly used as a weak base and a source of fluoride ions in various organic reactions, including nucleophilic substitution, functional group deprotection, and ring-opening polymerization. Unlike other fluoride sources, TMAF is compatible with many functional groups, making it a versatile tool in synthetic chemistry. Functional reagents, In addition, TMAF has been used as a fluorinating agent in medicinal chemistry, for the preparation of radiotracers and protein modification in biochemistry, and the tetrahydrate form of TMAF is more stable and easier to handle than the anhydrous form.

Tetramethylammonium fluoride tetrahydrate

Biochemical Assay Reagents

Tetramethylammonium fluoride tetrahydrate (TMAF) is a quaternary ammonium salt. TMAF is commonly used as a weak base and a source of fluoride ions in various organic reactions, including nucleophilic substitution, functional group deprotection, and ring-opening polymerization. Unlike other fluoride sources, TMAF is compatible with many functional groups, making it a versatile tool in synthetic chemistry. Functional reagents, In addition, TMAF has been used as a fluorinating agent in medicinal chemistry, for the preparation of radiotracers and protein modification in biochemistry, and the tetrahydrate form of TMAF is more stable and easier to handle than the anhydrous form.

HY-W087964

Dodecanedioyl dichloride	Biochemical Assay Reagents
Dodecanedioyl dichloride, Dodecanedioyl dichloride is commonly used in organic synthesis as a general building block for the preparation of various polymers and plastics, including nylon 12 and polyester resins, it can be used to introduce acid chloride groups into other organic molecules, which can then be further reaction to form more complex compounds, moreover, it has been used in medicinal chemistry as a starting material for the synthesis of various drugs and drug candidates.

Dodecanedioyl dichloride

Biochemical Assay Reagents

Dodecanedioyl dichloride, Dodecanedioyl dichloride is commonly used in organic synthesis as a general building block for the preparation of various polymers and plastics, including nylon 12 and polyester resins, it can be used to introduce acid chloride groups into other organic molecules, which can then be further reaction to form more complex compounds, moreover, it has been used in medicinal chemistry as a starting material for the synthesis of various drugs and drug candidates.

Azulene Cyclopentacycloheptene	Infection Structural Classification Natural Products Classification of Application Fields Source classification Distemonanthus benthamianus Baill. Plants Compositae Disease Research Fields	HIV
Azulene (Cyclopentacycloheptene) is as an isomer of naphthalene with high anti-HIV activity. Azulene, isolated from the distillation of chamomile oil, is a scaffold in medicinal chemistry .

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medicinal chemistry

Inhibitors & Agonists

Screening Libraries

Biochemical Assay Reagents

NaturalProducts

Natural
Products