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Phthalide is a promising chemical scaffold with a potent anti-inflammatory efficacy. Phthalide can be used to synthesize a variety of phthalide derivatives including anti-inflammatory agent, antimicrobial, antioxidant .
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 .
Cbz-Ala-Ala-Asn TFA is a peptide that designed based on the sequence of the substrate of legumain. Legumain is a cysteine protease. Cbz-Ala-Ala-Asn TFA can be applied as a scaffold for drug delivery .
BMS-986121 is a positive allosteric modulator (PAM) of the μ opioid receptor extracted from patent WO2014107344. BMS-986121 is built on a chemical scaffold representing a new chemotype for μ receptor PAMs .
Cadonilimab (AK104) is a targeting PD1/CTLA4 IgG1 scaffold Fc-engineered humanized antibody. Cadonilimab can be used for researching metastatic cervical cancer .
Fmoc-Ala-Ala-OH (3) is a self-assemble fluorenylmethoxycarbonyl-dipeptide, which is a smaller amphiphilic building blocks consists dipeptides linked to fluore nylmethoxycarbonyl (Fmoc). Fmoc-Ala-Ala-OH can be used as scaffold materials in 3D cell culture .
14-Pentadecenoic acid is a 15-carbon long-chain fatty acid that contains an olefin functional group on the terminal carbon of its fatty tail. 14-Pentadecenoic acid can be used as a fibrous scaffold biomaterial for tissue engineering applications, as well as a metal-forming side-chain polymer for constructing capillary columns in gas chromatography .
2,2'-Bipyridine is the unique molecular scaffold of the bioactive natural products. 2,2'-Bipyridine is extensively used as the core structure of many chelating ligands by acting as a bridge in the arrangement of the catalytic center. 2,2'-Bipyridine shows robust redox stability and hyperglycemic activity .
BDP R6G amine is a fluorophore based on borondipyrromethene scaffold. BDP R6G amine is a BDP linker containing an amine group. BDP R6G amine is a terminal alkyne for copper-catalyzed Click chemistry. (λex=530 nm, λem=548 nm).
Anticancer agent 105 is a compound based on thienopyrimidine scaffold, with with good safety and anticancer properties. Anticancer agent 105 shows selective toxicity towards melanoma cancer, and induces apoptosis. And Anticancer agent 105 significantly inhibits the metastatic nodules, even in pulmonary metastatic melanoma mouse model .
3-Chlorodiphenylamine is a high affinity Ca 2+ sensitizer of cardiac muscle. 3-Chlorodiphenylamine is based on diphenylamine and binds to the isolated N-domain of cardiac troponin C (cTnC) (Kd=6 µM). 3-Chlorodiphenylamine is an excellent starting scaffold for the development of more potent Ca 2+-sensitizing compounds due to its small size, and can be used for systolic heart failure research .
BDP 630/650 carboxylic acid is a bright far-red fluorophore based on a borondipyrromethene scaffold. BDP 630/650 carboxylic acid is a BDP linker containing carboxylic acid. BDP 630/650 carboxylic acid can react with primary amine groups to form a stable amide bond. (λex=630 nm, λem=650 nm) .
Antifungal agent 31 (compound 12) is a potent and orally active triazole antifungal agents with a pyrrolotriazinone scaffold. Antifungal agent 31 shows antifungal activity against Candida spp. and filamentous fungi. Antifungal agent 31 significantly reduced mortality rates and kidney fungal burden in two murine models of lethal systemic infections .
Benzoyleneurea possesses anti-bacterial activity. Benzoyleneurea scaffold can be used in the synthesis of novel protein geranylgeranyltransferase-I (PGGTase-I) inhibitors .
Plecstatin-1 is a potent organoruthenium anti-cancer agent . Plecstatin-1 selectively targets plectin (a scaffold protein and cytolinker) in tumour spheroids .
JF526-Taxol (TFA) is a versatile scaffold for fluorogenic probes including ligands for self-labeling tags, stains for endogenous structures, and spontaneously blinking labels for super-resolution immunofluorescence .
Coumalic acid is a valuable platform compound which can be prepared from malic acid. Coumalic acid can be used in the flavours, fragrances and cosmetics industries, as polymer components, and as pharmaceutical scaffolds displaying anti-bronchial and -malarial activity .
TCS PIM-1 1 (SC 204330) is a potent, selective and ATP-competitive Pim-1 kianse inhibitor with an IC50 of 50 nM, displays good selectivity over Pim-2 and MEK1/MEK2 (IC50s >20000 nM) .
QN523 is a novel scaffold with agent-like properties, showing potent in vitro cytotoxicity in a panel of 12 cancer cell lines. QN523 induces apoptosis and autophagy. QN523 can be used in research of cancer .
SARS 3CLpro-IN-1 (Compound 3b) is a SARS 3CL protease inhibitor with an IC50 value of 95 μM, as a specific stereo isomer of the octahydroisochromene scaffold, directs the P1 site imidazole .
Isoxazole is a agent scaffold that can be used to develop new agents with various biological activities (e.g. anti-microbial, anti-viral, anti-cancer, anti-inflammatory, immunomodulatory, anti-convulsant or anti-diabetic properties) .
Fluorescein (Uranine) is widely used as a fluorescent tracer in medicinal and biological applications and tumor infected tissues tracer. Fluorescein (Uranine) is a representative green fluorophore that has been widely used as a scaffold of practically useful green fluorescent probes .
Fluorescein (Uranine) sodium is widely used as a fluorescent tracer in medicinal and biological applications and tumor infected tissues tracer. Fluorescein (Uranine) sodium is a representative green fluorophore that has been widely used as a scaffold of practically useful green fluorescent probes .
Gellan gum is a linear microbial exopolysaccharide that can be used as a cell scaffold for both soft tissue and load bearing applications. Gellan gum has many advantages such as biocompatibility, biodegradability, nontoxic in nature, and physical stability in the presence of cations .
HP1142 is a potent and selective inhibitor of FLT3 receptor tyrosine kinase (FLT3/ITD mutation). HP1142 is a benzoimidazole scaffold-based compound. HP1142 has the potential for the research of FLT3/ITD leukemia .
Zipalertinib (TAS6417; CLN-081) is a highly effective, orally active and pan-mutation-selective EGFR tyrosine kinase inhibitor with a unique scaffold fitting into the ATP-binding site of the EGFR hinge region, with IC50 values ranging from 1.1-8.0 nM .
HP1328 is a potent inhibitor of FLT3 receptor tyrosine kinase (FLT3/ITD mutation). HP1328 is a benzoimidazole scaffold-based compound. HP1328 significantly reduces the leukemia burden and prolongs the survival of mice with FLT3/ITD leukemia .
BODIPY-TS (Thiol-green 2) is a fast response and thiol-specific turn-on probe. BODIPY-TS utilizes the thiosulfonate scaffold as a thiol recognition unit. BODIPY-TS has low toxicity, and features high selectivity, low detection limit, and quantitative reaction to thiols . Ex: 490 nM; Em: 515 nM.
PTP1B-IN-1 is a potent protein tyrosine phosphatase-1B (PTP1B) inhibitor with IC50 of 1.6 mM; 1,2,5-thiadiazolidin-3-one-1,1-dioxide scaffold for derivatives synthesis.
WNY1613 is a potent and selective PI3Kδ inhibitor with piperazinone-containing purine scaffold. WNY1613 induces cancer cell apoptosis and inhibits the phosphorylation of PI3K downstream components in NHL cell lines. WNY1613 exhibits anti-NHL activity in vitro and in vivo .
mPEG-CHO (MW 1000) participates in the formation of a three-dimensional porous scaffold that carries active substances to form a delivery vehicle. The -CHO functional group interacts with the -NH2 functional group of the chitosan chain to form a glutaraldehyde-type adduct to functionalize mPEG. This functionalization and cross-linking can affect the rigidity of the delivery system, allowing slow release of the cross-linked conjugate system.
4-Hydroxycoumarin is an orally active coumarin derivative, one of the most versatile heterocyclic scaffolds, often used in the synthesis of various organic compounds. 4-Hydroxycoumarin possesses both electrophilic and nucleophilic properties. 4-Hydroxycoumarin is an HIV protease inhibitor and tyrosine kinase inhibitor. 4-Hydroxycoumarin has anti-inflammatory, antibacterial and anti-tumor effects .
mPEG-CHO (MW 350) participates in the formation of a three-dimensional porous scaffold which carries active substances to form a delivery vehicle. The -CHO functional group interacts with the -NH2 functional group of the chitosan chain to form a glutaraldehyde-type adduct to functionalize mPEG. This functionalization and cross-linking can affect the rigidity of the delivery system, allowing slow release of the cross-linked conjugate system.
mPEG-CHO (MW 550) participates in the formation of a three-dimensional porous scaffold which carries active substances to form a delivery vehicle. The -CHO functional group interacts with the -NH2 functional group of the chitosan chain to form a glutaraldehyde-type adduct to functionalize mPEG. This functionalization and cross-linking can affect the rigidity of the delivery system, allowing slow release of the cross-linked conjugate system.
mPEG-CHO (MW 750) participates in the formation of a three-dimensional porous scaffold which carries active substances to form a delivery vehicle. The -CHO functional group interacts with the -NH2 functional group of the chitosan chain to form a glutaraldehyde-type adduct to functionalize mPEG. This functionalization and cross-linking can affect the rigidity of the delivery system, allowing slow release of the cross-linked conjugate system.
mPEG-CHO (MW 2000) participates in the formation of a three-dimensional porous scaffold which carries active substances to form a delivery vehicle. The -CHO functional group interacts with the -NH2 functional group of the chitosan chain to form a glutaraldehyde-type adduct to functionalize mPEG. This functionalization and cross-linking can affect the rigidity of the delivery system, allowing slow release of the cross-linked conjugate system.
mPEG-CHO (MW 3400) participates in the formation of a three-dimensional porous scaffold which carries active substances to form a delivery vehicle. The -CHO functional group interacts with the -NH2 functional group of the chitosan chain to form a glutaraldehyde-type adduct to functionalize mPEG. This functionalization and cross-linking can affect the rigidity of the delivery system, allowing slow release of the cross-linked conjugate system.
mPEG-CHO (MW 5000) participates in the formation of a three-dimensional porous scaffold which carries active substances to form a delivery vehicle. The -CHO functional group interacts with the -NH2 functional group of the chitosan chain to form a glutaraldehyde-type adduct to functionalize mPEG. This functionalization and cross-linking can affect the rigidity of the delivery system, allowing slow release of the cross-linked conjugate system.
mPEG-CHO (MW 10000) participates in the formation of a three-dimensional porous scaffold which carries active substances to form a delivery vehicle. The -CHO functional group interacts with the -NH2 functional group of the chitosan chain to form a glutaraldehyde-type adduct to functionalize mPEG. This functionalization and cross-linking can affect the rigidity of the delivery system, allowing slow release of the cross-linked conjugate system.
mPEG-CHO (MW 20000) participates in the formation of a three-dimensional porous scaffold which carries active substances to form a delivery vehicle. The -CHO functional group interacts with the -NH2 functional group of the chitosan chain to form a glutaraldehyde-type adduct to functionalize mPEG. This functionalization and cross-linking can affect the rigidity of the delivery system, allowing slow release of the cross-linked conjugate system.
Copper Fluor-4 (CF4) is a Cu +-specific fluorescent probe based on a rhodol dye scaffold. Copper Fluor-4 has high copper selectivity, particularly over zinc and iron, as well as abundant cellular alkali and alkaline earth metals. Copper Fluor-4 is stable in a physiologically relevant pH regime between 6 and 8 (Ex: 488 nm) .
RAD51-IN-8, a new RAD51 binder, is a RAD51-BRCA2 inhibitor that inhibits the RAD51 BRCA2 protein protein interaction. RAD51-IN-8 also is a protein−protein interaction (PPI) inhibitor. RAD51-IN-8 has inhibitory activity for H4A4 with an EC50 value of 19 μM .
CB1R Allosteric modulator 3 is a CB1R positive allosteric modulator. CB1R Allosteric modulator 3 has potent inhibition of cAMP and β-Arrestin with EC50 values of 0.018 μM and 1.241 μM, respectively .
Janelia Fluor 526, SE (JF526,SE) is a fluorogenic yellow fluorescent dye that contains NHS ester group. JF526 is a versatile scaffold for fluorogenic ligands, including labels for genetically encoded self-labeling protein tags and stains for endogenous structures . Janelia Fluor products are licensed under U.S. Pat. Nos. 9,933,417, 10,018,624 and 10,161,932 and other patents from Howard Hughes Medical Institute.
Aurora/LIM kinase-IN-1 (Compound F114) is a potent and dual inhibitor of aurora and lim kinase. Aurora kinases and lim kinases are involved in neoplastic cell division and cell motility, respectively. Aurora/LIM kinase-IN-1 inhibits GBM proliferation and invasion. Aurora/LIM kinase-IN-1 is a promising new scaffold for dual aurora/lim kinase inhibitors that may be used in future agent development efforts for GBM, and potentially other cancers .
YF135 is an efficient and reversible-covalent KRAS G12C PROTAC. YF135 is designed and synthesized by tethering KRAS G12C inhibitor 48 (compound 6d) as the ligand, and basing on the scaffold of MRTX849 linkage VHL ligand. YF135 significantly induces the degradation of KRAS G12C in a reversible manner and decreases phospho-ERK level through the E3 ligase VHL mediated proteasome pathway .
c-Met-IN-12 (compound 4r) is an orally active, potent and selective type II c-Met kinase inhibitor, with an IC50 of 10.6 nM. c-Met-IN-12 displays high inhibitory effects (inhibition rate > 80% in 1 μM) against AXL, Mer and TYRO3 kinases. c-Met-IN-12 can be used a scaffold for further kinase selectivity enhancement. c-Met-IN-12 shows antitumor efficacy .
CDK8-IN-10 (compound 2) is a potent, selective cyclin-dependent kinase (CDK8) inhibitor with an IC50 value of 8.25 nM. CDK8-IN-10 can be used for research of cancer .
Antimicrobial agent-5 is an potent antimicrobial agent, and displays excellent cell selectivity against Gram-negative bacteria and Gram-positive bacteria. Antimicrobial agent-5 blocks the interaction between LPS and CD14/TLR4 receptor, and shows anti-inflammatory activity against LPS-induced inflammation .
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 .
STING agonist-20-Ala-amide-PEG2-C2-NH2 is an active scaffold comprising a stimulator of interferon genes (STING). STING agonist-20-Ala-amide-PEG2-C2-NH2 can be used to synthesize immune-stimulating antibody conjugate (ISAC). STING agonist-20-Ala-amide-PEG2-C2-NH2 can be used for the research of cancer .
RNA Aptamer Broccoli (sodium) is a 49-nt-long aptamer that is substantially shorter than Spinach and Spinach2 and exhibits bright green fluorescence upon binding DFHBI or DFHBI-1T (soluble analogs of the fluorophore of green fluorescent protein). RNA Aptamer Broccoli (sodium) can be used to visualize RNA expression or localization in live cells. In vitro Broccoli exhibits a similar high folding efficiency as Spinach2, but exhibits markedly lower dependence on magnesium for folding and increased thermostability. Additionally, unlike Spinach2, Broccoli does not require the use of a tRNA scaffold to promote its folding in vivo.
SPHINX is a selective SRPK1 inhibitor with an IC50 value of 0.58 μM. SPHINX effectively reduces Choroidal Neovascularization (CNV) in vivo. SPHINX can be used for the research of (age-related macular degenaration) AMD .
STING agonist-20-Ala-amide-PEG2-C2-NH2 (Compound 30b) TFA is an active scaffold comprising a stimulator of interferon genes (STING). STING agonist-20-Ala-amide-PEG2-C2-NH2 TFA can be used to synthesize immune-stimulating antibody conjugate (ISAC). STING agonist-20-Ala-amide-PEG2-C2-NH2 TFA can be used for the research of cancer .
AT2R antagonist 1 (compound 21) is a potent and high selective AT2R (angiotensin II AT2 receptor) ligand. AT2R antagonist 1 exhibits a fair AT2R affinity, with a Ki of 29 nM. AT2R antagonist 1 also inhibits common agent-metabolizing CYP enzymes. AT2R antagonist 1 shows high stability in human, rat and mouse liver microsomes .
CCG273441 is a covalent inhibitor of G protein-coupled receptor (GPCR) kinase 5 (GRK5) with an IC50 value of 3.8 nM. CCG273441 is highly selective to GRK5 over GRK2 (IC50=4.8 μM) by binding Cys474, a GRK5 subfamily-specific residue, as a covalent handle .
YIAD-0205 is an orally available Aβ(1?42) aggregation inhibitor. YIAD-0205 demonstrated in vivo efficacy in an AD transgenic mouse model with five familial AD mutations (5XFAD) .
mGluR2 modulator 1 (compound 95) is a potent and BBB-penetrated mGluR2 (metabotropic glutamate receptor-2) positive allosteric modulator, with an EC50 of 0.03 μM. mGluR2 modulator 1 can be used for psychosis research .
Chitin synthase inhibitor 4 (compound 4fh) is a chitin synthase inhibitor with fungicidal effect. Chitin synthase inhibitor 4 is a potential chitin synthase-based fungicide in agriculture .
Diversity-based screening continues to be a vital tool for drug discovery. Efficiency and productivity can be improved by using screening libraries that offer maximum diversity whilst retaining drug-like properties. Chemspace Scaffold derived set composes 10,119 compounds, which including 3,373 scaffolds, 3 compounds per each. This library has exceptional coverage of drug-like chemical space.
MCE 5K Scaffold Library consists of 5,000 lead-like compounds. Each compound represents one unique scaffold. All compounds are compatible with Lipinski’s rule (Rule of 5) with multiple characteristics such as calculated good solubility (-3.2<logP<5), oral bioavailability (RotB<=10), drug transportability (PSA<120). Compounds contained within the library have been screened to remove any inappropriate chemical structures, avoiding “false hits”. The sufficient diverse of compound structure makes this library a powerful tool for drug screening.
A diversity compound library contains 1,000,000 compounds with drug fragments. Each compound has at least one drug fragment. These selected molecules have 702,902 Bemis-Murcko Scaffolds (BMS) with drug-like chemical space. This library is highly recommended for AI-based lead discovery, ultra-large virtual screening and novel lead discovery.
MCE 50K Diversity Library consists of 50,000 lead-like compounds with multiple characteristics such as calculated good solubility (-3.2<logP<5), oral bioavailability (RotB<=10), drug transportability (PSA<120). These compounds were selected by dissimilarity search with an average Tanimoto Coefficient of 0.52. There are 36,857 unique scaffolds and each scaffold 1 to 7 compounds. What’s more, compounds with the same scaffold have as many functional groups as possible, which make abundant chemical spaces. This exceptionally diverse library is highly recommended for random screening against new as well as popular targets based its novel, diverse scaffolds, abundant chemical spaces and the convenience for subsequent modification.
Natural products are an attractive source with varied structures that exhibit potent biological activities, and desirable pharmacological profiles. The core scaffold of a natural product can also provide a biologically validated framework upon which to display diverse functional groups. Inspired by bioactive natural products, natural product-like compounds, occupying the same chemical space, are ideally suited to explore and to facilitate understanding of biological pathways.
MCE 10K Natural Product-like Compound Library consists of 10,000 natural product-like compounds. Each compound has scaffold of natural products or Tanimoto coefficient >0.6 with natural products. The natural-likeness scoring of these compounds is >-2. What’s more, compounds in the library are drug-like and readily available for re-supply, making it a powerful tool for new drug research and development. It can be widely applied in high-throughput screening (HTS) and high-content screening (HCS).
ASINEX has elaborated a library of diverse macrocycles using an effective tool box of synthetic methods. The resulting scaffolds are novel, tremendously diverse, medchem-relevant, macrocyclic frameworks.
Macrocyles tend to be larger than traditional screening molecules which make them perfect discovery tools for targets with shallow or extended binding sites. At the same time, their unique character based on restricted flexibility and ability to form intra-molecular hydrogen bonds allows for design approaches effectively optimizing properties such asaqueous solubility and membrane permeability. Many of these macrocycles have been tested for aqueous and DMSO solubility with cut-offs applied at 10 mM in DMSO and 50 µM in PBS (pH 7.4) followed by PAMPA permeability assay.
MegaUni 50K Virtual Diversity Library consists of 50,000 novel, synthetically accessible, lead-like compounds. With MCE's 40,662 Building Blocks, covering around 273 reaction types, more than 40 million molecules were generated. Based on Morgan Fingerprint and Tanimoto Coefficient, molecular clustering analysis was carried out, and molecules closest to each clustering center were extracted to form a drug-like and synthesizable diversity library. The selected 50,000 drug-like molecules have 46,744 unique Bemis-Murcko Scaffolds (BMS), each containing only 1-3 compounds. This diverse library is highly recommended for virtual screening and novel lead discovery.
“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).
A unique set of molecules containing mild electrophilic moieties that covalently interact with amino acid residues in the target protein. The diversity of our compounds for covalent drug discovery ranges from natural product-like scaffolds to macrocycles, creating multiple opportunities in hit generation for a selected target.
With MCE's 40,662 BBs, covering around 273 reaction types, more than 40 million molecules were generated. Compounds which comply with Ro5 criteria were selected. Inappropriate chemical structures, such as PAINS motifs and synthetically difficult accessible, were removed. Based on Morgan Fingerprint, molecular clustering analysis was carried out, and molecules close to each clustering center were extracted to form this drug-like and synthesizable diversity library. These selected molecules have 805,822 unique Bemis-Murcko Scaffolds (BMS) with diversified chemical space. This library is highly recommended for AI-based lead discovery, ultra-large virtual screening and novel lead discovery.
Natural products are an attractive source with varied structures that exhibit potent biological activities, and desirable pharmacological profiles. The core scaffold of a natural product can also provide a biologically validated framework upon which to display diverse functional groups. Inspired by bioactive natural products, natural product-like compounds, occupying the same chemical space, are ideally suited to explore and to facilitate understanding of biological pathways.
MCE provides a unique collection of 581 natural product-like compounds that are structurally like Steroids, Tannins, Flavonoids, Quinones, Isoquinolines, etc. This library is an important source of lead compounds for drug discovery.
Macrocycles are promising scaffolds for the design of novel RNA targeting molecules. This collection of macrocycles for RNA consists of very diverse, drug-like molecules which incorporate certain known RNA-recognition elements (e.g. nucleobase ring systems and analogs) distributed within macrocyclic rings or peripheral fragments. As macrocyclic molecules tend to be larger than traditional screening molecules, it is vital to carefully assess and control their physicochemical properties. All macrocycles have been tested for aqueous and DMSO solubility with cutoffs applied at 10 mM in DMSO and 50 µM in PBS (pH 7.4); PAMPA permeability has also been tested for representative set of macrocycles.
Natural products are characterized by enormous scaffold diversity and structural complexity, because of which, natural products do show a wide range of biological activities. Medicinal plants have been the major source of medicines over many centuries. About a quarter of all Food and Drug Administration (FDA) and/or the European Medical Agency (EMA) approved drugs are plant based, with well-known drugs such as Paclitaxel and Aspirin having been isolated from plants.
MCE provides a unique collection of 2867 plant-sourced natural products. MCE Plant-Sourced Natural Product Library is a useful tool for drug discovery that can be used for high throughput screening (HTS) and high content screening (HCS).
Natural product have great diversity and structural complexity of scaffolds. And the number of their drugs represents a large number of sources of new pharmacological entities, so natural products are of great significance in drug discovery. The Dictionary of Natural Products (DNP) shows that natural products mainly come from plants, animals and microorganisms, and animal sources are the second important source of natural products. Animal derived natural products exist to varying degrees in almost all forms of animals, generally secondary metabolite extracted from organisms.
MCE provides a unique collection of 1062 animal-sourced natural products. MCE Animal-Sourced Natural Product Library is a useful tool for drug discovery that can be used for high throughput screening (HTS) and high content screening (HCS).
With features of enormous scaffold diversity and structural complexity, natural products (NPs) are the main sources of lead compounds and new drugs and play a highly significant role in the drug discovery and development process, especially for cancer and infectious diseases. A large number of natural products have been proven to have potential anti-tumor effects, mainly from plants, animals, Marine organisms and microorganisms. At present, derived than 60% of anti-tumor drugs come from natural sources, and they are widely used in breast, prostate and colon cancers.
MCE offers a unique collection of 1582 natural products with validated anti-cancer activity. MCE anti-cancer natural product library is a useful tool for anti-tumor drugs screening and other related research.
Life Chemicals Collection of small organic molecules for high-throughput screening currently contains 494,471 off-the-shelf products. The Collection is being permanently replenished with de novo designed products having optimal physicochemical parameters for drug discovery.
Natural products are small molecules produced naturally by any organism including primary and secondary metabolites. Nowadays, new drugs based on Natural products are successfully applied to treat tumors, viral and bacterial diseases, and nervous disorders.
In response to the current drug discovery demand, we created this natural product-like compound library with 13,236 in-stock synthetic compounds similar to natural ones. The library was designed by 2D fingerprint similarity filtering, chemical descriptor-based and natural-likeness scoring selection. These compounds are useful tools for high throughput screening (HTS) and high content screening (HCS) programs.
Fluorescein (Uranine) is widely used as a fluorescent tracer in medicinal and biological applications and tumor infected tissues tracer. Fluorescein (Uranine) is a representative green fluorophore that has been widely used as a scaffold of practically useful green fluorescent probes .
BODIPY-TS (Thiol-green 2) is a fast response and thiol-specific turn-on probe. BODIPY-TS utilizes the thiosulfonate scaffold as a thiol recognition unit. BODIPY-TS has low toxicity, and features high selectivity, low detection limit, and quantitative reaction to thiols . Ex: 490 nM; Em: 515 nM.
BDP R6G amine is a fluorophore based on borondipyrromethene scaffold. BDP R6G amine is a BDP linker containing an amine group. BDP R6G amine is a terminal alkyne for copper-catalyzed Click chemistry. (λex=530 nm, λem=548 nm).
BDP 630/650 carboxylic acid is a bright far-red fluorophore based on a borondipyrromethene scaffold. BDP 630/650 carboxylic acid is a BDP linker containing carboxylic acid. BDP 630/650 carboxylic acid can react with primary amine groups to form a stable amide bond. (λex=630 nm, λem=650 nm) .
JF526-Taxol (TFA) is a versatile scaffold for fluorogenic probes including ligands for self-labeling tags, stains for endogenous structures, and spontaneously blinking labels for super-resolution immunofluorescence .
Copper Fluor-4 (CF4) is a Cu +-specific fluorescent probe based on a rhodol dye scaffold. Copper Fluor-4 has high copper selectivity, particularly over zinc and iron, as well as abundant cellular alkali and alkaline earth metals. Copper Fluor-4 is stable in a physiologically relevant pH regime between 6 and 8 (Ex: 488 nm) .
Janelia Fluor 526, SE (JF526,SE) is a fluorogenic yellow fluorescent dye that contains NHS ester group. JF526 is a versatile scaffold for fluorogenic ligands, including labels for genetically encoded self-labeling protein tags and stains for endogenous structures . Janelia Fluor products are licensed under U.S. Pat. Nos. 9,933,417, 10,018,624 and 10,161,932 and other patents from Howard Hughes Medical Institute.
Gellan gum is a linear microbial exopolysaccharide that can be used as a cell scaffold for both soft tissue and load bearing applications. Gellan gum has many advantages such as biocompatibility, biodegradability, nontoxic in nature, and physical stability in the presence of cations .
mPEG-CHO (MW 1000) participates in the formation of a three-dimensional porous scaffold that carries active substances to form a delivery vehicle. The -CHO functional group interacts with the -NH2 functional group of the chitosan chain to form a glutaraldehyde-type adduct to functionalize mPEG. This functionalization and cross-linking can affect the rigidity of the delivery system, allowing slow release of the cross-linked conjugate system.
mPEG-CHO (MW 350) participates in the formation of a three-dimensional porous scaffold which carries active substances to form a delivery vehicle. The -CHO functional group interacts with the -NH2 functional group of the chitosan chain to form a glutaraldehyde-type adduct to functionalize mPEG. This functionalization and cross-linking can affect the rigidity of the delivery system, allowing slow release of the cross-linked conjugate system.
mPEG-CHO (MW 550) participates in the formation of a three-dimensional porous scaffold which carries active substances to form a delivery vehicle. The -CHO functional group interacts with the -NH2 functional group of the chitosan chain to form a glutaraldehyde-type adduct to functionalize mPEG. This functionalization and cross-linking can affect the rigidity of the delivery system, allowing slow release of the cross-linked conjugate system.
mPEG-CHO (MW 750) participates in the formation of a three-dimensional porous scaffold which carries active substances to form a delivery vehicle. The -CHO functional group interacts with the -NH2 functional group of the chitosan chain to form a glutaraldehyde-type adduct to functionalize mPEG. This functionalization and cross-linking can affect the rigidity of the delivery system, allowing slow release of the cross-linked conjugate system.
mPEG-CHO (MW 2000) participates in the formation of a three-dimensional porous scaffold which carries active substances to form a delivery vehicle. The -CHO functional group interacts with the -NH2 functional group of the chitosan chain to form a glutaraldehyde-type adduct to functionalize mPEG. This functionalization and cross-linking can affect the rigidity of the delivery system, allowing slow release of the cross-linked conjugate system.
mPEG-CHO (MW 3400) participates in the formation of a three-dimensional porous scaffold which carries active substances to form a delivery vehicle. The -CHO functional group interacts with the -NH2 functional group of the chitosan chain to form a glutaraldehyde-type adduct to functionalize mPEG. This functionalization and cross-linking can affect the rigidity of the delivery system, allowing slow release of the cross-linked conjugate system.
mPEG-CHO (MW 5000) participates in the formation of a three-dimensional porous scaffold which carries active substances to form a delivery vehicle. The -CHO functional group interacts with the -NH2 functional group of the chitosan chain to form a glutaraldehyde-type adduct to functionalize mPEG. This functionalization and cross-linking can affect the rigidity of the delivery system, allowing slow release of the cross-linked conjugate system.
mPEG-CHO (MW 10000) participates in the formation of a three-dimensional porous scaffold which carries active substances to form a delivery vehicle. The -CHO functional group interacts with the -NH2 functional group of the chitosan chain to form a glutaraldehyde-type adduct to functionalize mPEG. This functionalization and cross-linking can affect the rigidity of the delivery system, allowing slow release of the cross-linked conjugate system.
mPEG-CHO (MW 20000) participates in the formation of a three-dimensional porous scaffold which carries active substances to form a delivery vehicle. The -CHO functional group interacts with the -NH2 functional group of the chitosan chain to form a glutaraldehyde-type adduct to functionalize mPEG. This functionalization and cross-linking can affect the rigidity of the delivery system, allowing slow release of the cross-linked conjugate system.
Fmoc-Ala-Ala-OH (3) is a self-assemble fluorenylmethoxycarbonyl-dipeptide, which is a smaller amphiphilic building blocks consists dipeptides linked to fluore nylmethoxycarbonyl (Fmoc). Fmoc-Ala-Ala-OH can be used as scaffold materials in 3D cell culture .
APT STAT3, scrambled (APTscr), a control peptide of STAT3-specific aptide (APTSTAT3), does not bind STAT3. APT STAT3, scrambled contains the same trpzip scaffold but with a scrambled sequence in the target-binding site .
G4RGDSP, Integrin-binding peptide is a cell integrin-binding peptide that targets integrin receptors. G4RGDSP, integrin-binding peptide is coupled to alginate to increase the viability of cells in the scaffold. G4RGDSP, integrin-binding peptide can be used as an extrudable carrier for chondrocyte delivery for the study of 3D printing technology
Cadonilimab (AK104) is a targeting PD1/CTLA4 IgG1 scaffold Fc-engineered humanized antibody. Cadonilimab can be used for researching metastatic cervical cancer .
Phthalide is a promising chemical scaffold with a potent anti-inflammatory efficacy. Phthalide can be used to synthesize a variety of phthalide derivatives including anti-inflammatory agent, antimicrobial, antioxidant .
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 .
Coumalic acid is a valuable platform compound which can be prepared from malic acid. Coumalic acid can be used in the flavours, fragrances and cosmetics industries, as polymer components, and as pharmaceutical scaffolds displaying anti-bronchial and -malarial activity .
Syntenin-1; Melanoma differentiation-associated protein 9; Pro-TGF-alpha cytoplasmic domain-interacting protein 18; scaffold protein Pbp1; Syndecan-binding protein 1; SDCBP; MDA9; SYCL;
Syntenin-1 is a multifunctional adapter protein that coordinates multiple cellular processes, including transmembrane protein trafficking, neural and immune regulation, exosome biogenesis, and tumorigenesis. It actively regulates TGFB1 signaling and enhances SMAD2/3 activation, TGFB1-induced epithelial-mesenchymal transition (EMT), and cell migration. Syntenin-1 Protein, Human (C-His) is the recombinant human-derived Syntenin-1 protein, expressed by E. coli , with C-6*His labeled tag. The total length of Syntenin-1 Protein, Human (C-His) is 297 a.a., with molecular weight of ~ 32.0 kDa.
Syntenin-1; Melanoma differentiation-associated protein 9; Pro-TGF-alpha cytoplasmic domain-interacting protein 18; scaffold protein Pbp1; Syndecan-binding protein 1; SDCBP; MDA9; SYCL;
Syntenin-1 protein is known to mediate Syndecan signaling and has a PDZ domain that binds transmembrane proteins. It affects cytoskeletal membrane organization, cell adhesion, protein trafficking, and transcription factor activation. Syntenin-1 Protein, Human (N-His) is the recombinant human-derived Syntenin-1 protein, expressed by E. coli , with N-6*His labeled tag. The total length of Syntenin-1 Protein, Human (N-His) is 298 a.a., with molecular weight of ~32 kDa.
ISCU is an important mitochondrial scaffolding protein in the ISC assembly complex and forms the structural basis of [2Fe-2S] cluster assembly. ISCU relies on FXN to centrally receive persulfide during de novo synthesis initiated by the cysteine desulfurase complex (NFS1:LYRM4:NDUFAB1). ISCU Protein, Human (Baculovirus, His-Myc) is the recombinant human-derived ISCU protein, expressed by Sf9 insect cells , with N-10*His, C-Myc labeled tag. The total length of ISCU Protein, Human (Baculovirus, His-Myc) is 133 a.a., with molecular weight of ~18.3 kDa.
Ragulator Complex Protein LAMTOR3; Late Endosomal/Lysosomal Adaptor and MAPK and MTOR Activator 3; MEK-Binding Partner 1; Mp1; Mitogen-Activated Protein Kinase Kinase 1-Interacting Protein 1; Mitogen-Activated Protein Kinase scaffold Protein 1; LAMTOR3; MAP2K1IP
The MAPKSP1 protein, also known as porphobilinogen deaminase (HMBS), is crucial in the heme biosynthetic pathway and catalyzes the sequential polymerization of four porphobilinogen molecules to form hydroxymethyl bixane. The process begins with the assembly of the dipyrromethane cofactor of porphobilinogen or preuroporphyrinogen. MAPKSP1 Protein, Human (His) is the recombinant human-derived MAPKSP1 protein, expressed by E. coli , with N-6*His labeled tag. The total length of MAPKSP1 Protein, Human (His) is 124 a.a., with molecular weight of ~15.0 kDa.