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Targeted therapy! The Capetin Prize winning "Click Chemistry" can be used like this!Targeted therapy! The Nobel Prize winning "Click Chemistry" can be used like this!2025-02-06
1165 Results for "
generation
" in MedChemExpress (MCE) Product Catalog:
Products (1165)
1165 Results for "generation" in MCE Product Catalog:
Cat. No.: HY-N0805R
CAS No.: 26575-95-1
Synonyms: 23-Acetylalismol B (Standard); 23-O-Acetylalisol B (Standard); Alisol B monoacetate (Standard)
Cat. No.: HY-N13250
Cat. No.: HY-N2600R
CAS No.: 76472-87-2
Cat. No.: HY-W145481A
CAS No.: 11078-30-1
Synonyms: Carob galactomannan
Cat. No.: HY-L027
1,237 compounds
Viruses are much simpler organisms than bacteria, and they are made from protein substances and nucleic acid. Despite the fact that the exact mechanism of infection is extremely specific to each type of virus, the general scheme of infection can be represented in the following manner: A virus is absorbed at the surface of a host cell and then permeates through the membrane, where it releases nucleic acid from its protein protection. Then the viral nucleic acid begins to replicate, and transcription of the viral genome takes place either in the cytoplasm, or in the nucleus of the host cell. As a result of these events, a large amount of viral nucleic acid and protein are made to make new generations of virions. Therefore, one mechanism of action of antiviral drugs is to interfere with the ability of a virus to get into a target cell. A second mechanism of action is to target the processes that synthesize virus components after a virus invades a cell, such as nucleotide or nucleoside analogs.
MCE designs a unique collection of 1,237 anti-virus compounds that target several viruses, including SARS-CoV, HBV, HCV, HIV, HSV and Influenza Virus. It’s an effective tool for anti-virus drug discovery.
Cat. No.: HY-113720
CAS No.: 1041469-97-9
Target:
CDK Apoptosis Caspase Reactive Oxygen Species (ROS) JNK MDM-2/p53 Bcl-2 Family IGF-1R PI3K PKC Ras Akt
Research Areas:
RKS262 is an orally active cyclin/CDK inhibitor. RKS262 is also an apoptosis inducer and cell cycle regulator, exhibiting cytotoxic activity against cancer cells. RKS262 induces caspase-3 cleavage, ROS generation, SAPK/JNK activation, and upregulates the expression of p53, Bid, Bad, Bok, and p27. RKS262 inhibits the expression of Bcl-2, Mcl-1, Bcl-xL, p21, cyclin D1, cyclin B1, cdc-2, cyclin D4, and DNA-pk KU-80 subunit. RKS262 suppresses the phosphorylation of the IGF-1R/PI3K/PKC pathway, ras oncogene activity, and Cdk-6, while increasing total Akt expression. RKS262 induces G2/M or S phase cell cycle arrest, disrupts mitochondrial transmembrane potential, and reduces tumor burden in xenograft models. RKS262 is used in research on neuroblastoma and ovarian cancer .
Cat. No.: HY-129242S
CAS No.: 80404-14-4
Synonyms: 4-Oxo-Tempo-15N,d16
Tempone- 15N,d16 (4-Oxo-Tempo 15N,D16) is the deuterated, 15N-labeled Tempone (HY-129242). Tempone (4-Oxo-Tempo) is a nitroxide radical spin label and ROS scavenger. Tempone induces cytotoxicity in lymphoma cells. Tempone serves as a substrate for intracellular reduction to hydroxylamine, rapidly equilibrates between intracellular and extracellular compartments, reduces nitroxide radical spin labels at the ubiquinol site of the respiratory chain, and acts as an alternative terminal electron acceptor when electron flow to oxygen is blocked. Tempone serves as a superoxide sensor, a T2-weighted MRI contrast agent, and a dynamic nuclear polarization polarizing agent for 13C. Tempone inhibits superoxide and peroxynitrite, hydroxyl radical generation, nitrotyrosine formation, and poly (ADP-ribose) formation, and alleviates renal dysfunction and injury in ischemia/reperfusion and hydrogen peroxide-induced injury. Tempone can be used for research on ischemia-reperfusion injury, acute renal failure, and lymphoma .
Cat. No.: HY-171705
CAS No.: 1478585-60-2
Research Areas:
KMS99220 is an orally active, blood-brain barrier-permeable activator of the Nrf2 inhibitory protein Keap-1. KMS99220 enhances the activity of AMPK, activates the Nrf2 signaling pathway, and reduces the phosphorylation of IκB, nuclear translocation of NFκB, as well as the phosphorylation levels of JNK, IKK and p38 MAPK via HO-1. KMS99220 binds to Keap1 to trigger the nuclear translocation of Nrf2, induces the expression of HO-1, NQO1, GCLC, GCLM and proteasome subunits; enhances proteasomal enzymatic activity; inhibits iNOS expression, nitric oxide production and IL-1β generation; attenuates microglial activation; reduces α-synuclein aggregation; and prevents dopaminergic neuron degeneration and motor dysfunction. KMS99220 prevents the degeneration of dopaminergic neurons in the substantia nigra, induces the expression of Nrf2 downstream target genes, and effectively ameliorates associated motor dysfunction in a mouse model of Parkinson's disease. KMS99220 is applicable to research related to Parkinson's disease .
Cat. No.: HY-77572R
CAS No.: 78454-17-8
Synonyms: 7-epi-10-deacetyltaxol (Standard); 10-Deacetyl-7-epipaclitaxel (Standard)
Cat. No.: HY-P3075
CAS No.: 112540-82-6
Synonyms: pTHrP (1-34)
Target:
PTHR PKA PKC PI3K Akt ERK NADPH Oxidase Reactive Oxygen Species (ROS) TGF-beta/Smad Caspase Apoptosis NO Synthase
Research Areas:
pTH-Related Protein (1-34) (human,mouse,rat) (pTHrP (1-34)) is a parathyroid hormone-related protein fragment. Binding of pTH-Related Protein (1-34) (human,mouse,rat) to PTH1R triggers cAMP/PKA and PKC signaling, PI3K-mediated Akt and ERK1/2 phosphorylation, NADPH oxidase-dependent ROS generation, and TGF-beta1 and p47phox expression. pTH-Related Protein (1-34) (human,mouse,rat) induces fibronectin upregulation, osteoblast differentiation, osteoclastic bone resorption, bone formation, eNOS/NO-mediated vasodilation, and sensitization of type II pneumocytes to ultraviolet-induced apoptosis (apoptosis) via caspase 3. pTH-Related Protein (1-34) (human,mouse,rat) can be used in research on diabetic nephropathy, breast cancer, acute lung injury, humoral hypercalcemia of malignancy, osteoporosis, and cartilage degeneration .
Cat. No.: HY-P991149
CAS No.: 2966936-23-0
Synonyms: YH32367; ABL105
Target:
Research Areas:
Cat. No.: HY-L934
122 compounds
CRBN, namely cereblon, is the substrate recognition subunit of the E3 ubiquitin ligase complex in the ubiquitin-proteasome system. A CRBN ligand library refers to a collection of numerous fragments that can specifically bind to the CRBN protein.
These ligands are mostly designed based on validated CRBN-binding warheads and modified through AI-driven molecular generation optimization systems. They not only include classic lenalidomide-derived structures but also cover novel non-lenalidomide scaffolds. After drug-likeness filtering, these ligands exhibit structural diversity and favorable druggable properties. They can be further optimized and modified to facilitate the development of novel molecular glue degraders, accelerate the discovery of molecular glues that induce interactions between CRBN and new substrate proteins, and enable the exploration of novel CRBN substrates for identifying previously unknown CRBN-binding proteins.
MCE compiles 122 fragments that can specifically bind to the CRBN protein, with molecular weights ranging from 200 to 500. Compounds developed based on the library ligands target multiple disease targets such as cancer and autoimmune diseases, further advancing the development of Molecular Glues and PROTACs therapeutic agents.
Cat. No.: HY-164392
CAS No.: 1451370-01-6
TAS-121 is an orally active, selective, covalent, third-generation mutant EGFR-tyrosine kinase inhibitor (EGFR-TKI). TAS-121 inhibits the L858R mutation (IC50=1.7 nM), Ex19del mutation (IC50=2.7 nM), L858R/T790M mutation (IC50=0.56 nM) and Ex19del/T790M mutation (IC50=1.1 nM) and wild-type EGFR (IC50=8.2 nM). TAS-121 inhibits HER2 and HER4 with IC50s of 110 and 2.6 nM, respectively. TAS-121 inhibits phosphorylation of EGFR and its downstream signaling targets to block cell proliferation. TAS-121 induces apoptosis and displays antitumor activity in SW48 (EGFR G719S) and NCI-H1975 (EGFR L858R/T790M) xenograft models .
Cat. No.: HY-N1970R
CAS No.: 31721-94-5
Target:
Cat. No.: HY-109061A
CAS No.: 2411549-88-5
Synonyms: YH25448 mesylate hydrate; GNS-1480 mesylate hydrate
Lazertinib (YH25448; GNS-1480) mesylate hydrate is an orally active, blood-brain barrier permeable third-generation EGFR tyrosine kinase inhibitor, as well as an ABCB1/ABCG2 inhibitor and a TRPA1 activator. Lazertinib mesylate hydrate exhibits IC50 values of 0.4 mM and 0.2 mM against human ABCB1 and ABCG2, respectively. By inhibiting mutant EGFR signaling, EGFR phosphorylation and the downstream ERK/AKT pathway, as well as upregulating surface expression of EGFR/MET, Lazertinib mesylate hydrate induces cell cycle arrest, apoptosis, spontaneous calcium responses, hyperexcitability of dorsal root ganglion (DRG) neurons, and TRPA1-dependent pain-like behaviors. Lazertinib mesylate hydrate competitively binds to the substrate-binding sites of ABCB1/ABCG2, stimulates their ATPase activity without altering their expression or plasma membrane localization, thereby enhancing ADCC activity, acting as a chemosensitizer, and reversing ABCB1-mediated multidrug resistance. It exerts antitumor activity as a single agent or in combination with other drugs. Lazertinib mesylate hydrate is applicable to research related to non-small cell lung cancer, multidrug-resistant cancers, and paresthesia .
Cat. No.: HY-L948
11,491 compounds
PD-1/PD-L1 are key immune checkpoint targets that suppress T-cell-mediated anti-tumor immunity, representing a major focus in cancer immunotherapy. While antibody drugs dominate the clinic, they are limited by administration challenges and immune-related side effects. Small-molecule PD-1/PD-L1 inhibitors, with oral availability, good tissue penetration and low cost, have emerged as a promising next-generation strategy.
A PD-1/PD-L1 lead-like library was built via a five-step virtual screening process. After collecting 8,947 inhibitors from BindingDB and PubChem and filtering by activity and duplicates, AI similarity screening was performed using GeminiMol. Key pharmacophores were extracted from the PPI interface of co-crystal structures, and molecular was screened via a pharmacophore model, effectively enhancing target activity.
Containing 10,000 structurally diverse and drug-like molecules well-matched to the PD-L1 pocket, the library supports virtual docking, high-throughput screening and hit discovery, enabling efficient and rapid development of small-molecule immunotherapies.
Cat. No.: HY-L936V0
11412 compounds
Molecular Glue Virtual Library is constructed using generative AI technology, integrating the structural features, activity data of known molecular glues, and interaction information of ternary complexes (target protein-E3-molecular glue). Endowed with structural novelty, drug-likeness, diversity and synthesizability, it is applicable to molecular glue-based AI drug screening and large-scale virtual screening.
MCE builds this library based on high-quality molecular building blocks by virtue of robust computing power, coupled with rigorous reaction rules and optimized compound generation strategies. To ensure library quality, molecules with high synthetic difficulty, poor drug-likeness, PAINS and other undesirable molecules are excluded first. Subsequently, scaffold-based compound analysis is performed to screen drug-like diverse molecules for synthesizability evaluation; those with excessively high synthetic difficulty are removed, ultimately forming a large-scale molecular glue virtual library with structural diversity, synthesizability and drug-likeness.
Compounds in the library can be synthesized in only 1-2 chemical reaction steps. With MCE’s experienced chemical synthesis team, custom synthesis of different scales from milligram to kilogram can be easily achieved to meet diverse customer needs.
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Protocols
Targeted therapy! The Capetin Prize winning "Click Chemistry" can be used like this!Targeted therapy! The Nobel Prize winning "Click Chemistry" can be used like this!A suitable model is crucial in drug screening experiments. Organs can mimic the three-dimensional functional structure of internal organs, have similar spatial organization to corresponding organs, maintain some key characteristics, and reproduce some physiological functions. They are widely used for modeling and personalized drug screening physiological functions.2025-02-06
