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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
30 Results for "
structural features
" in MedChemExpress (MCE) Product Catalog:
Products (30)
30 Results for "structural features" in MCE Product Catalog:
Target:
研究分野:
(S)-Trolox is an analogue of vitamin E, in which the phytyl chain is replaced with a carboxyl group. (S)-Trolox is frequently used as a model compound for studies of structural features, as well as a standard for evaluation of antioxidant activity. (S)-Trolox has potent and specific neuroprotective and antioxidant effects .
製品番号: HY-N6743
CAS 番号: 35082-49-6
別名: CGP049090
Target:
製品番号: HY-W009411
CAS 番号: 33008-06-9
Succinyl-CoA synthetase is a mitochondrial matrix enzyme and catalyst. Succinyl-CoA synthetase supports TCA, ketone and heme metabolism and is activated by mitochondrial phosphate. Succinyl-CoA synthetase distributes broadly across mammalian tissues with distinct substrate-related biochemical features. Succinyl-CoA synthetase gains structural stability after phosphorylation and relies on SUCLG1-encoded subunit for activity. Succinyl-CoA synthetase malfunction links to metabolic and neurological disorders. Succinyl-CoA synthetase serves as a research tool for mitochondrial hepatoencephalomyopathy .
製品番号: HY-174580
Human MITF mRNA encodes the human melanocyte inducing transcription factor (MITF) protein, a transcription factor that contains both basic helix-loop-helix and leucine zipper structural features. MITF could regulate melanocyte development and is also responsible for pigment cell-specific transcription of the melanogenesis enzyme genes.
製品番号: HY-163267
Target:
研究分野:
ZNL0325 is a covalent probe based on pyrazolopyrimidine. ZNL0325 features an acrylamide side chain at the C3 position, which is capable of forming covalent bonds with multiple kinases that possess a cysteine at the αD-1 position, including BTK, EGFR, BLK, and JAK3. ZNL0325 can be used in the research of creating structurally distinct covalent kinase inhibitors .
製品番号: HY-117012
CAS 番号: 105462-23-5
Target:
研究分野:
NE58018 is a compound with bone resorption inhibitory activity. NE58018 exerts its effect by affecting the action of Farnesyl pyrophosphate synthase (FPPS). The structural features of NE58018 combined with aminophosphonates significantly enhance its inhibitory activity. NE58018 affects the roles of Thr201 and Tyr204 residues in substrate binding and catalysis. The interaction of NE58018 enhances the inhibitory effect on the target enzyme .
製品番号: HY-P10251
CAS 番号: 147841-68-7
製品番号: HY-W114420
CAS 番号: 17028-03-4
Target:
研究分野:
3-Methyl-L-tyrosine is a derivative of L-Tyrosine (HY-N0473). Structurally, 3-Methyl-L-tyrosine features a methyl modification at the third position of the aromatic ring of L-Tyrosine. As a substrate for the protein tyrosine kinase Csk, 3-Methyl-L-tyrosine's relative catalytic efficiency (kcat/Km) is 38% of L-Tyrosine, indicating that the methyl modification impacts the processing efficiency of Gsk significantly. 3-Methyl-L-tyrosine helps to deepen the understanding of Gsk's molecular recognition mechanisms of its substrates, which is crucial for developing specific inhibitors targeting Gsk .
製品番号: HY-15334
CAS 番号: 402857-39-0
CEP-5214, derived from a new indenopyrrolocarbazole template, is a potent inhibitor of vascular endothelial growth factor R2 (VEGF-R2) tyrosine kinase. Structurally, it features optimal substitutions at positions 9 (ethoxymethyl) and 12 (hydroxypropyl) on the indeno[2,1-a]pyrrolo[3,4-c]carbazole-5-one scaffold, leading to high potency against VEGF-R2 (IC50 8 nM). Compound 21 (CEP-5214) exhibits low-nanomolar inhibition of human VEGF-R tyrosine kinases (IC50 4 nM for VEGF-R2/KDR), with good selectivity over other kinases. The compound demonstrated significant cellular and in vivo antitumor activity across various models and advanced into phase I clinical trials as a water-soluble prodrug (CEP-7055) to enhance oral bioavailability .
製品番号: HY-L0120V
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).
製品番号: HY-N9939
CAS 番号: 108085-46-7
製品番号: HY-L916
4,865 compounds
Different functional groups confer unique chemical properties and reactivity characteristics to compounds. The presence of these functional groups not only affects the physical properties of the compounds, such as solubility and boiling point, but also determines their chemical reactivity and potential applications in chemical synthesis.
Covalent ligands rely on reactive groups (“warheads”), and new warheads are key to expanding the scope of covalent modalities. Through careful selection, we constructed a structural filter containing over 110 electrophilic groups. By analyzing the electrophilic fragments selected by the structural filter, we removed any molecules with trivial or undesirable structural features. Ultimately, we obtained 4,900 multifunctional covalent fragments.
製品番号: HY-L909
8,571 compounds
Covalent inhibitors are small molecules that can bind specifically to target proteins through covalent bonds and inhibit their biological functions. Although for a long time, covalent targeting has been playing a subordinate role in drug discovery, with an increasing number of reports on successful clinical applications of such drugs, the potential of these agents is now being acknowledged.
Covalent ligands rely on reactive groups (“warheads”), and new warheads are key to expanding the scope of covalent modalities. Through careful selection, we constructed a structural filter containing over 110 electrophilic groups. By analyzing the electrophilic fragments selected by the structural filter, we removed any molecules with trivial or undesirable structural features. Ultimately, we obtained 8,900 fragment molecules with covalent modification potential, which can target various reactive amino acid residues and can be used for fragment-based covalent drug discovery.
製品番号: HY-101445BR
CAS 番号: 53174-06-4
Target:
研究分野:
(S)-Trolox (Standard) is the analytical standard of (S)-Trolox (HY-101445B). This product is intended for research and analytical applications. (S)-Trolox is an analogue of vitamin E, in which the phytyl chain is replaced with a carboxyl group. (S)-Trolox is frequently used as a model compound for studies of structural features, as well as a standard for evaluation of antioxidant activity. (S)-Trolox has potent and specific neuroprotective and antioxidant effects .
製品番号: HY-L914
3,212 compounds
In the research of covalent inhibitors targeting serine and threonine, scientists have found that the nucleophilicity of these hydroxyl groups is significantly enhanced due to the influence of their surrounding environment. This results in higher activity during catalytic reactions. Aspirin, which targets the non-catalytic domain serine (Ser529 in human COX1) of cyclooxygenase, exerts its anti-inflammatory effect through covalent binding. β-lactam antibiotics, which targets the catalytic domain serine of penicillin-binding proteins, interferes with bacterial cell wall synthesis.
Through careful selection, we constructed a structural filter containing over 110 electrophilic groups. By analyzing the electrophilic fragments selected by the structural filter, we removed any molecules with trivial or undesirable structural features. Ultimately, we obtained 3,300 fragment molecules which can target serine and threonine residues and can be used for fragment-based covalent drug discovery.
製品番号: HY-L915
422 compounds
Lysine is the second most common target residue used in the design of TCIs and related covalent ligands. Its appeal lies in its abundance in human proteins, which is approximately three times higher than that of cysteine (5.8% vs. 1.9%). This significantly increases the number of proteins suitable for covalent targeting, especially given that many human proteins lack ligandable cysteine residues. Moreover, it has been suggested that functional lysines have a lower probability of being replaced by mutation, as they often play a crucial role in catalysis by acting as bases or nucleophiles. Additionally, lysines are essential for maintaining the structural integrity of proteins and for regulating post-translational modifications (PTMs). Consequently, targeting lysine has garnered significant interest in recent years.
Through careful selection, we constructed a structural filter containing over 110 electrophilic groups. By analyzing the electrophilic fragments selected by the structural filter, we removed any molecules with trivial or undesirable structural features. Ultimately, we obtained 445 fragment molecules which can target lysine residue and can be used for fragment-based covalent drug discovery.
製品番号: HY-184684
Target:
研究分野:
HPA-IN-3 (compound 5) is a heparanase (HPA) inhibitor with an IC50 of 11.27 μM against human targets. HPA-IN-3 binds to the active site of HPA, and its structural features enhance binding stability and affinity. HPA-IN-3 reduces the levels of proinflammatory cytokines. HPA-IN-3 maintains organ morphology. HPA-IN-3 improves the survival rate of mice with sepsis induced by cecal ligation and puncture. HPA-IN-3 can be used in studies related to sepsis .
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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
