Metabolism

<p>Fmoc-Ile-Ser(psi(Me,Me)pro)-OH is a dipeptide.</p>

<p>Calcium 2-oxoglutarate is an intermediate in the production of GTP or ATP in the Krebs cycle. It is a reversible inhibitor of tyrosinase (IC50: 15 mM).</p>

<p>Tetrachlorocatechol (TCC) is a chlorinated catechol compound that serves as a metabolite of pentachlorophenol.</p>

<p>Imatinib Impurity E, a derivative of orally taken Imatinib, inhibits tyrosine kinases BCR/ABL, PDGFR, c-kit, and SARS/MERS-CoV.</p>

<p>N-Desbutyl Dronedarone-d7 HCl is the deuterium-labelled isomer of N-Desbutyl Dronedarone HCl, used for isotope tracing. N-Desbutyl Dronedarone is a metabolite of the antiarrhythmic drug Dronedarone.</p>

<p>CAIX/CAXII-IN-3 (compound 11) serves as an inhibitor for CAIX/CAXII, exhibiting an IC50 value of less than 65 nM. Additionally, this compound effectively inhibits the proliferation of human melanoma cells.</p>

<p>Venetoclax N-oxide is a byproduct of potent, oral Bcl-2 inhibitor Venetoclax (ABT-199/GDC-0199) with Ki &lt;0.01 nM.</p>

<p>5β-Androstan-3β-ol-17-one (3β-Etiocholanolone; 5β-Epiandrosterone), a 5β-reduced steroid and a significant metabolic derivative of dehydroepiandrosterone (DHEA</p>

<p>10 FTHF disodium (10-Formyltetrahydrofolic acid disodium) is a form of tetrahydrofolate that is involved in the synthesis of purine compounds.</p>

<p>Sofosbuvir impurity E, a less active byproduct, inhibits HCV RNA replication with potent anti-HCV effects.</p>

<p>N,S-Bis-Fmoc-Glutathione is a potent inhibitor of glyoxalase II, exhibiting a K i of 0.32 mM [1].</p>

<p>H4PteGlu5 strongly inhibits itself and tightly binds in vivo, almost irreversibly, as a coenzyme.</p>

<p>Monoglyceridelipase is a crucial enzyme involved in lipid metabolism, catalyzing the hydrolysis of monoglycerides (especially 2-AG, or 2-arachidonoylglycerol) into glycerol and free fatty acids. By regulating the levels of 2-AG, this enzyme impacts neural signaling, pain perception, inflammatory responses, and metabolic processes.</p>

<p>α-Glucosidase-IN-72 (compound 5i), a 2,4-dichloro-N-phenylacetamide derivative, functions as an α-glucosidase inhibitor with an inhibitory concentration (IC 50) of 6 μM. Notably, it does not adhere to Lipinski's "rule of five" and is not a cancer inducer.</p>

<p>PP5-IN-2, a selective and orally active inhibitor of protein phosphatase 5 (PP5), exhibits an IC 50 of 0.9 μM. This compound activates p53 and leads to the downregulation of cyclin D1 and MGMT, thereby inducing cell cycle arrest and reversing Temozolomide (TMZ) resistance in the U87 MG cell line. Additionally, PP5-IN-2 has demonstrated effective inhibition of tumor growth in the xenograft mouse model.</p>

<p>Penicillinase is a β-lactamase and secretory enzyme capable of degrading and inactivating penicillin and similar compounds.</p>

<p>C-Type Natriuretic Peptide (1-53), from porcine, rat, and mouse sources, serves as an activator of particulate guanylate cyclase B (pGC-B), prominently found in endothelial cells, kidneys, and the heart. This peptide efficiently mediates a potent anti-fibrotic effect in human cardiac and renal fibroblasts through the production of the second messenger cGMP.</p>

<p>Desbutyl Lumefantrine is a metabolite of lumefantrine with antimalarial activity.</p>

<p>α-Glucosidase-IN-73 (compound 16b), an α-Glucosidase inhibitor, exhibits an IC 50 value of 0.158 μM and possesses the ability to activate PPAR γ. This compound is applicable in studies focusing on anti-diabetic and anti-inflammatory treatments.</p>

<p>Aschantin is a useful organic compound for research related to life sciences. The catalog number is T126072 and the CAS number is 13060-15-6.</p>

<p>(±)8-HDHA is an autoxidation product of docosahexaenoic acid (DHA) in vitro.</p>

<p>Ser-Ala-alloresact acetate is a sperm-activating peptide (SAP) that is released by marine invertebrate eggs and plays an important role in fertilization.</p>

<p>3-O-Dihydro-p-coumaroyltohogenol functions as a PTP1B inhibitor (IC50 = 6.27 μM), exhibiting anti-diabetic and anti-obesity activities.</p>

<p>ADP-specific glucokinase, expressed in thermophilic archaea, is an ADP-specific enzyme that catalyzes the conversion of glucose to glucose-6-phosphate, thereby facilitating glycolysis. This enzyme can activate T cells and enhance the phagocytic activity of macrophages. It is used in research related to metabolic disorders, neurological diseases, and tumors.</p>

<p>Phosphofructokinase, a crucial glycolytic enzyme, catalyzes the conversion of fructose-6-phosphate to fructose-1,6-bisphosphate in the glycolysis pathway. Its activity is inhibited by the binding of Phosphoenolpyruvate (PEP), which regulates the rate of glycolysis. Additionally, Phosphofructokinase is utilized in the measurement of fructose-6-phosphate (fructose-6-phosphate) levels.</p>

<p>IONIS PTP1BRx (ISIS 404173) acts as an antisense inhibitor of protein tyrosine phosphatase 1B (PTP-1B). This compound exhibits anti-diabetic properties, making it suitable for research into insulin resistance related to obesity and type 2 diabetes.</p>

<p>Anti bacterial agent 237 (compound Ru-8) acts as a potent antibacterial agent against Staphylococcus aureus, exhibiting minimum inhibitory concentrations (MICs) ranging from 0.78 to 1.56 μg/mL. It works by disrupting bacterial cell membranes, altering their permeability, and inducing the production of reactive oxygen species, which leads to bacterial cell death without promoting resistance. Additionally, Anti bacterial agent 237 demonstrates low hemolytic toxicity towards rabbit erythrocytes and Raw 264.7 cells. It has shown significant antibacterial activity in models of skin wound infections in mice and larval infections by the greater wax moth, effectively combating Staphylococcus aureus infections.</p>

<p>Imperatoxin A TFA, a peptide toxin derived from the venom of the African scorpion Pandinus imperator, acts as an activator of Ca2+-release channels/ryanodine receptors (RyRs). It facilitates the influx of Ca2+ from the sarcoplasmic reticulum into the cell.</p>

<p>NAD Synthetase is responsible for the final step in the synthesis of Nicotinamide Adenine Dinucleotide (NAD). The enzyme sourced from Escherichia coli exhibits Km values of 200 μM for NAD, 11 μM for ATP, and 0.65 μM for ammonia. Conversely, NAD Synthetase derived from yeast demonstrates Km values of 170 μM for NAD, 190 μM for ATP, and 64 μM for ammonia. This enzyme is applicable in enzymatic assays for ATP, ammonia, urea, or creatinine and can also be used in enzymatic recycling methods. Additionally, NAD Synthetase holds potential for research into metabolic diseases, cancer, aging, and neurodegenerative disorders.</p>

<p>α-Glucosidase-IN-80 (Compound 10n) is a potent competitive inhibitor of α-glucosidase, with an IC50 of 48.4 μM. It exhibits favorable pharmacokinetic properties and toxicity profiles, making it suitable for research in diabetes-related conditions.</p>

<p>N-Desethyl Bimatoprost (17-phenyl trinor PGF2α amide) is an F-series PG analog in which the C-1 carboxyl group has been modified to an unsubstituted amide.</p>

<p>Compound 10 (h15-LOX-2 inhibitor 2) suppresses h15-LOX activity, exhibiting IC 50 and K i values of 26.9 μM and 16.4 μM, respectively.</p>

<p>5′-Nucleotidase (CD73), an ectoenzyme and intrinsic membrane glycoprotein, catalyzes the hydrolysis of 5-nucleotides into their corresponding nucleosides [1].</p>

<p>(±)13-HODE cholesteryl ester was originally extracted from atherosclerotic lesions and shown to be produced by Cu2+-catalyzed oxidation of LDL.</p>

<p>Sclerotiorin, from Penicillium, inhibits soybean lipoxygenase-1 (IC50: 4.2 μM) and other proteins, antagonizes endothelin receptors.</p>

<p>γ-Glu-Gly TFA, a γ-glutamyl dipeptide, is a human lipid metabolite with a structure resembling GABA (γ-aminobutyric acid).</p>

<p>Maurocalcine TFA acts as an agonist for ryanodine receptor (RyR) channels 1, 2, and 3, demonstrating cell-penetrating capabilities. It induces binding of [3H]ryanodine to RyR1 with an EC50 of 2558 nM and exhibits an apparent affinity of 14 nM for RyR2. This compound is applicable for in vivo cell tracking or other cellular imaging techniques.</p>

<p>Epoxide hydrolase, an enzyme responsible for catalyzing the reaction of epoxides with water to convert epoxy groups into diols, plays a crucial role in the metabolism of environmental pollutants and lipids. It is instrumental in detoxification, inflammatory responses, and regulating the health of the cardiovascular system. Additionally, Epoxide hydrolase is used in asymmetric catalytic reactions, such as the asymmetric ring-opening of epoxides, which are important for the synthesis of chiral pharmaceutical molecules.</p>

<p>Estriol-3-glucuronide, a natural compound found in urine, is also present in amniotic fluid during normal pregnancy [1][2].</p>

<p>4'-Methoxyisoagarotetrol, a chromone derivative, exhibits moderate phosphodiesterase 3A (PDE3A) inhibitory activity with an IC50 value of 54 μM [1].</p>

<p>ESI1 is a small molecule inhibitor of epigenetic silencing. This compound induces the formation of nuclear aggregates of the key lipid metabolism regulator SREBP1/2, thereby concentrating transcription co-activators to drive lipid/cholesterol biosynthesis. Additionally, ESI1 promotes myelin regeneration in demyelination animal models and facilitates de novo myelination on regenerating CNS axons, reversing age-related cognitive decline.</p>

<p>Furosine dihydrochloride, an early Maillard reaction marker, is linked to diseases like diabetes.</p>

<p>FITC-GW3965: Fluorescent LXRβ agonist; FITC replaces trifluoromethyl in GW3965; used to probe LXRβ function.</p>

<p>Guignardone J, a secondary metabolite, is isolated from the endophytic fungus Phyllosticta capitalensis [1].</p>

<p>BVT-2733 hydrochloride is a potent, selective, and orally active non-steroidal 11β-HSD1 inhibitor. It exhibits stronger inhibition on mouse 11β-HSD1 enzyme (IC50=96 nM) compared to the human 11β-HSD1 enzyme (IC50=3341 nM). BVT-2733 hydrochloride shows potential for research in arthritis and obesity-related diseases.</p>

<p>Generates large inward currents at resting membrane potential</p>

<p>Glycerol-3-phosphate dehydrogenase from Saccharomyces cerevisiae is an enzyme that catalyzes the oxidation of glycerol-3-phosphate (G3P) to dihydroxyacetone phosphate (DHAP), playing a crucial role in glycerol metabolism and energy production. This enzyme acts as the rate-limiting step in glycerol production within Saccharomyces cerevisiae, regulating glycerol formation and accumulation to aid the yeast in adapting to hyperosmotic environments. Additionally, glycerol-3-phosphate dehydrogenase from Saccharomyces cerevisiae is relevant in research within the field of metabolic engineering.</p>

<p>Diacetinase, a member of the esterase family, catalyzes the hydrolysis of glyceryl diacetate (Diacetin). It is utilized in the measurement of lipase activity.</p>

<p>Autophagyinducer 5 (compound 21o) serves as a potent inhibitor of MCF-7 (IC50: 2 μM), making it a potential candidate for breast cancer therapy. It induces autophagy by activating the ROS/JNK signaling pathway, which increases ROS production and JNK phosphorylation, ultimately exerting cytotoxic effects.</p>

<p>2-(2',3',4'-Trihydroxybutyl)quinoxaline is a food metabolite.</p>

<p>sLeX: sialylated, fucosylated tetrasaccharide, ligand for selectins, inhibits neutrophil recruitment.</p>

<p>α-Glucosidase-IN-24 (Compound 13), an α-Glucosidase inhibitor, exhibits an IC50 value of 451 μM and can be derived from Swertia kouitchensis [1].</p>

<p>12α-Hydroxysteroid dehydrogenase, an NAD-dependent enzyme expressed in Bacillus sphaericus, actively processes both free and conjugated bile salts. It is utilized to determine the levels of 12α-hydroxy bile acids in serum.</p>

<p>Compound 7a, Methyl (5α,7α)-7-hydroxy-3-oxocholan-24-oate, is a metabolite of bile acid.</p>

<p>Xanthine oxidase-IN-16 is an effective orally active inhibitor of xanthine oxidase (XO), demonstrating significant therapeutic efficacy in rats with hyperuricemia and an IC50 of 102 nM.</p>

<p>5-Aminolevulinic acid: heme synthesis intermediate, photosensitizer, antineoplastic, prodrug, treats actinic keratosis with blue light.</p>

<p>MPC-IN-1 (compound 4i), a derivative of UK-5099, is a cyanocinnamate-based inhibitor of the mitochondrial pyruvate transporter (MPC). This compound selectively fosters the development of hair follicle stem cells while not impacting normal cells. It enhances cellular lactate production and has shown significant hair growth promotion in mice, suggesting its potential use in combating hair loss.</p>

<p>Naroparcil, an oral thioglycoside, has antithrombotic properties and alters thrombin complex formation.</p>

<p>(±)14-HDHA is an oxidized metabolite of DHA and can be further oxidized to the 14-oxoDHA, 14-HDoHE inhibits LPS-induced IL-6 mRNA expression.</p>

<p>Rawsonol is a HMG-CoA reductase inhibitor from the tropical green alga Avrainvillea rawsoni.</p>

<p>Acanthifolicin, an okadaic acid derivative, has been shown top inhibit protein phosphatase 1 with an IC50= 20 nM (similar to that of okadaic acid at 19 nM).</p>

<p>SY-640, an acetamide derivative, strongly protects the liver and lessens Propionibacterium acnes and lipopolysaccharide-induced damage in mice.</p>

<p>N-acetyl Leukotriene E4 is an endogenous metabolite of Leukotriene E4, less active than Leukotriene E4, causing constriction of the airways.</p>

<p>CK2 Substrate Peptide, C-terminus linked to EDANS, used for CK2 activity assays.</p>

<p>Bacterial α-Amylase is an enzyme that catalyzes the hydrolysis reaction of starch into smaller sugar molecules such as maltose and glucose.</p>

<p>N1-Acetylspermine, an endogenous metabolite found in urine, has applications in leukemia research [1] [2].</p>

<p>Oseltamivir carboxylate is an active metabolite of oseltamivir phosphate (Tamiflu).</p>

<p>Zymostenol (5a-Cholest-8-en-3b-ol) is a RORγ agonist with an EC50 of 1 μM.Zymostenol is a late stage precursor of cholesterol biosynthesis.</p>

<p>Leuhistin is an aminopeptidases N inhibitor isolated from Bacillus laterosporus BMI156-14F1.</p>

<p>N-Benzoyl-L-Leucine is a leucine derivative exhibiting antibacterial activity against Staphylococcus aureus.</p>

<p>TSPO/Carbonic Anhydrase Modulator 1 (Compound 3) acts as a dual modulator of mitochondrial translocator protein and carbonic anhydrase, with a TSPOKi of 1.340 μM and a CAVII KA of 10.7 μM. It enhances neurosteroid production, increases BDNF gene expression, and demonstrates neuroprotective activity.</p>

<p>Sofosbuvir impurity D is a less active variant with potent anti-HCV properties.</p>

<p>(R)-Mephenytoin ((–)-Mephenytoin) is the the R-enantiomer of Mephenytoin which is an anticonvulsant agent.</p>

<p>4,8-Dioxa-3H-perfluorononanoic acid, a type of per- and polyfluoroalkyl substance (PFAS), exhibits affinity for the human pregnane X receptor (hPXR) and demonstrates potential agonistic activity.</p>

<p>Glycogen phosphorylase-IN-2 (compound 9C) is an inhibitor of glycogen phosphorylase, with a Ki value of 1.9 nM and an IC50 value of 4 nM.</p>

<p>PTPN22-IN-2 (Compound 8b-19) is a PTPN22 inhibitor with an IC50 of 250 nM and is applicable in immunoregulation research.</p>

<p>Folcysteine, a cysteine derivative, may fight tumors, aids in DNA synthesis, repair, methylation, and acts as a folate cofactor.</p>

<p>hBChE-IN-4 (compound 40) serves as an effective activator for hCA and an inhibitor for BChE. It demonstrates affinity for various hCA subtypes with affinity constants (KA) of 266 nM for hCA I, 76.9 nM for hCA II, 918 nM for hCA IV, 893 nM for hCA VB, and 98.0 nM for hCA VII. Inhibition concentrations (IC50) for eeAChE and eqBChE are recorded at 72.1 nM and 4.2 nM, respectively. hBChE-IN-4 is non-cytotoxic and has demonstrated potential cognitive enhancement effects. It holds potential for research in neurodegenerative and other neuropsychiatric disorders.</p>

<p>Cho-Arg is a cholesterol-based cationic lipid that complexes with DNA, aids transfection, and is cytotoxic at 88.5 μg/ml IC50.</p>

<p>N-β-Alanyldopamine hydrochloride (NBAD hydrochloride) represents the primary dopamine derivative found in haemolymph [1].</p>

<p>Sorbifolin is a flavone glucoside from Pterogyne nitens with myeloperoxidase inhibition (IC50: 19.2 nM) and radical scavenging effects.</p>

<p>Creatine kinase (OcCK) converts creatine and ATP into phosphocreatine and ADP, crucial for ATP/ADP balance during high energy demand.</p>

<p>Mersalyl is an organic mercurial diuretic.</p>

<p>Alphostatin is an alkaline phosphatase inhibitor isolated from Bacillus megaterium.</p>

<p>D-Ribose, found in cerebrospinal fluid, is used to study Ribose 5 Phosphate and MCAD Deficiency.</p>

<p>C24 3'-sulfo Galactosylceramide is a key myelin sulfatide, high in leukodystrophy patients, non-immunogenic compared to C24:1 variant.</p>

<p>Camellianin B, a flavonoid from Camellianin A, has antioxidant effects and blocks ACE.</p>

<p>MJ33-OH lithium is a metabolite of MJ33.</p>

<p>VM4-037 is a PET imaging agent used for carbonic anhydrase IX.</p>

<p>Febuxostat amide impurity is an impurity of Febuxostat. Febuxostat is selective xanthine oxidase inhibitor with a K i of 0.6 nM [1]</p>

<p>N-Formyl-2-aminophenol (N-(2-hydroxyphenyl)methanamide) is a bacterial secondary metabolite found in P. chrysogenum and exhibits antioxidant properties.</p>

<p>Oleic acid-2,6-diisopropylanilide: ACAT inhibitor, IC50 7 nM; lowers LDL &amp; raises HDL in high-fat fed rabbits/rats at 0.05%.</p>

<p>D-LDH is an oxidoreductase turning D-lactate into pyruvate, using NAD+/NADP+; prevalent in bacteria and fungi, key for biochemical research.</p>

<p>Palitantin is a useful organic compound for research related to life sciences. The catalog number is T125757 and the CAS number is 15265-28-8.</p>

<p>N4-Acetylcytidine triphosphate sodium is efficiently used as a substrate in T7 Polymerase-catalyzed in vitro transcription.</p>

<p>(1S)-Calcitriol, a natural 1α,25(OH)2D3 metabolite, regulates VDR actions like keratinocyte growth inhibition.</p>

<p>O-desmethyl Mebeverine acid is a metabolite of Mebeverine.</p>

<p>15-keto Latanoprost, a less potent metabolite and impurity of latanoprost, lowers intraocular pressure in monkeys and constricts pupils in cats.</p>

<p>PIP3, a minor yet critical phospholipid for cell signaling, resists PLC cleavage and anchors PH domain proteins, affecting cytoskeletal and membrane dynamics.</p>

<p>1-Palmitoyl LPA: a palmitic acid-containing LPA analog, targets GPCRs, affects cell responses, and boosts β-lactam antibiotics against Pseudomonas aeruginosa.</p>