Metabolismo

<p>Cellobiosan is an anhydro sugar formed during biofuel production from the fast pyrolysis of wood.</p>

<p>TNAP-IN-1 is a specific inhibitor of tissue-nonspecific alkaline phosphatase (TNAP) and is utilized in studying diseases related to soft tissue calcification.</p>

<p>4-hydroxy Valsartan, a key valsartan metabolite, curbs epinephrine and collagen-caused platelet clumping, not ADP's.</p>

<p>Genz-123346 is an oral inhibitor of glucosylceramide synthase, blocking ceramide to GL1 conversion, with a 14 nM IC50.</p>

L,L-Dityrosine, a component found in the acid hydrolysates of various biological materials, such as insect cuticular resilin, plays a significant role in

<p>PNGase F is an endoglycosidase and amide hydrolase that catalyses the cleavage of internal glycosidic bonds in oligosaccharides.</p>

<p>Lasiocarpine is a pyrrolizidine alkaloid, it has acute cytotoxicity in human and hepatic cell lines.</p>

<p>Coumachlor, a first-generation anticoagulant rodenticide, blocks the formation of prothrombin and inhibits blood coagulation causing internal haemorrhage.</p>

<p>Meproscillarin is a glycoside with high bioavailability (about 70%) and an elimination independent of renal function.</p>

<p>DSPE-PEG1000-M2pep is a PEG compound comprised of DSPE and the M2 macrophage-targeting peptide (M2pep). M2pep acts as a mono- or multivalent ligand conjugated with pro-apoptotic peptides to focus the peptides' toxic effects on M2 macrophages. DSPE-PEG1000-M2pep can be utilized for drug delivery.</p>

<p>Larsucosterol sodium: a liver-derived cholesterol byproduct; modulates lipid synthesis, inflammation, and cell death regulation.</p>

<p>(Iso)-Dehydroemetine (Dehydroisoemetine, (+/-)-) is a compound with antispasmolytic effect on smooth muscle.</p>

<p>PROTAC PTPN2 degrader-1, a strong PTPN2 eliminator, may aid cancer/metabolic disease research.</p>

Octachlorodibenzo-p-dioxin (OCDD) is an environmental contaminant with no acute toxicity when administered. In rats, the systemic elimination half-life of Octachlorodibenzo-p-dioxin (50 μg/kg intravenously or 50-5000 μg/kg orally) is 3-5 months. It can accumulate and concentrate in the liver and adipose tissue after low-dose, repeated exposure. Repeated dosing of Octachlorodibenzo-p-dioxin leads to increased activity of 7-ethoxyresorufin-O-deethylase (7-EROD) and elevated total cytochrome P-450 levels.

Imidazole-d4 is an isotope-labeled variant of imidazole, which is a heterocyclic aromatic compound. Imidazole molecules serve as inhibitors for acetylcholinesterase (AChEI) and xanthine oxidase (XO) and have been utilized as corrosion inhibitors. They display a range of biological activities, including antifungal, antitubercular, anti-inflammatory, antioxidant, and analgesic properties. Imidazole inhibits platelet microsomes from converting endoperoxides (PGG2 and PGH2) into thromboxane A2. Additionally, imidazole derivatives show inhibitory effects on the SARS-CoV-2 3CLpro enzyme, offering potential for research in Alzheimer’s disease, gout, COVID-19, and thrombotic disorders.

<p>2'',3''-Di-O-acetyl-5''-deoxy-5-fuluro-D-cytidine is a derivative of capecitabine.</p>

<p>Reduced haloperidol, an active metabolite of haloperidol, binds dopamine D2/sigma-1 receptors and inhibits neurotransmitter reuptake.</p>

<p>CD13-IN-1 (Compound 5f) is a CD13 inhibitor with an IC50 value of 1.71 μM. It effectively suppresses the proliferation of various tumor cells, demonstrating antitumor activity.</p>

<p>11,12-DiHETrE: Endogenous P450 eicosanoid, used in preterm labor study and NAFL/NASH differentiation.</p>

<p>Ciwujianoside C2 is a useful organic compound for research related to life sciences. The catalog number is T126337 and the CAS number is 114892-56-7.</p>

<p>Doxorubicinol is the major circulating metabolite of doxorubicin with antineoplastic acitivity.</p>

<p>1,4-DPCA is an inhibitor of prolyl-hydroxylase with an IC50 of 2.4 µM for collagen hydroxylation in human foreskin fibroblasts and 60 μM for factor inhibiting</p>

<p>Tanshinone IIA anhydride: irreversible inhibitor for human CE1 (Ki=1.9 nM) and hiCE (Ki=1.4 nM).</p>

<p>2-(Isopentylamino)naphthalene-1,4-dione: a vitamin K analog inhibiting spasms and seizures in mice with various ED50 values.</p>

<p>Spirolaxine from Sporotrichum laxum shows anti-Helicobacter pylori activity.</p>

<p>DSPE-PEG2000-LTLRWVGLMS is a PEG compound composed of DSPE and the decapeptide (LTLRWVGLMS). Chondroitin sulfate proteoglycan NG2 is the receptor for LLRWVGLMS. LLRWVGLMS demonstrates homing to pericytes associated with tumor vasculature. DSPE-PEG2000-LTLRWVGLMS can be utilized for drug delivery.</p>

ENPP3 Inhibitor 1 is a selective inhibitor of ENPP3, exhibiting an IC50 value of 0.15 µM, compared to an IC50 of 41.4 µM for ENPP1. It demonstrates antitumor effects against breast and cervical cancers.

<p>D-threo-PPMP, a powerful glucosylceramide (GlcCer) synthase inhibitor, effectively impedes karyokinesis and decreases cyst formation.</p>

<p>Adenosine deaminase is an enzyme that catalyzes the irreversible deamination of 2'-deoxyadenosine and adenosine to 2'-deoxyinosine and inosine, respectively.</p>

<p>ACAT-IN-5 inhibits ACAT, suppressing NF-κB-mediated transcription.</p>

<p>2-Nitrophenyl a-D-glucopyranoside is a substrate of β-glucosidase [1] .</p>

<p>Thymidine 5′-diphosphate (dTDP), a crucial product of pyrimidine synthesis in organisms, is synthesized through the thymidylate kinase (TMPK)-catalyzed</p>

<p>Cholesterol glucuronide is an endogenous metabolite of lipid generated by UDP glucuonyltransferase in the liver.</p>

<p>Endocrocin is a useful organic compound for research related to life sciences. The catalog number is T124800 and the CAS number is 481-70-9.</p>

<p>Corneal metabolism of 12(R)-HETE yields 8(R)-HHxTrE via β-oxidation, losing four carbons from C-1.</p>

<p>Pepsin A is a protease and endopeptidase in the stomach, capable of breaking down proteins in food into small peptide fragments.</p>

<p>Hexaglutamate folate, a natural folic acid form, requires deconjugation for absorption; its deficiency can lead to anemia and numerous chronic diseases.</p>

<p>Propionylcarnitine (Propionyl carnitine) is a widely used dietary supplement that has been associated with glaucoma and does it ruptu</p>

<p>23,25-Dihydroxy-24-oxovitamin D3, a prominent metabolite of 24(R),25-Dihydroxyvitamin D3, holds significant potential for studying metabolic disorders[1].</p>

<p>(R)-SCH 42495, less potent enantiomer of NEP inhibitor SCH 42495, has oral antihypertensive action.</p>

<p>MCI-INI-3 is a selective competitive inhibitor of human ALDH1A3, with a Ki value of 0.55 μM for ALDH1A3 and 78.2 μM for ALDH1A1. It inhibits retinoic acid biosynthesis and can reduce the viability of glioblastoma cells GSC-83 and GSC-326.</p>

<p>DSPE-PEG1000-LyP-1 is a PEG compound composed of DSPE and a nine-residue peptide (LyP-1). LyP-1 specifically targets tumor-associated lymphatic vessels and macrophages.</p>

<p>Bromacil, a substituted uracil herbicide used worldwide, is not readily biodegradable and therefore has consequences to the environment.</p>

<p>Calcicludine, a protein toxin derived from the green mamba (Dendroaspis angusticeps) venom, selectively inhibits high-voltage-activated, particularly L-type,</p>

<p>Diphenamid is a chemical compound from the group of acetamides and a herbicide. The effect is based on the inhibition of acetyl-CoA carboxylase.</p>

<p>MP 518 is a PDE inhibitor with antihypertensive properties. It prevents the degradation of cAMP, leading to increased ICa levels, and counteracts the effects of β-adrenergic stimulation, resulting in vasodilation.</p>

TEI-9647 is a vitamin D3 analog and VDR/DRE genomic antagonist.

<p>MTHFD2-IN-3 (compound 10), a potent inhibitor of methylenetetrahydrofolate dehydrogenase (MTHFD2), demonstrates significant efficacy in obstructing the activity</p>

<p>Generates rapid acidifications down to pH 2</p>

<p>DSPE-PEG5000-PP1 is a PEG compound composed of DSPE and the cell-penetrating peptide (TAT) peptide. DSPE-PEG2000-TAT is applicable for drug delivery.</p>

(S,R,S)-AHPC-C2-amide targets Smad3 degradation and boosts HIF-α; it has anti-fibrotic and renal protective roles.

<p>DSPE-PEG2000-APRPG is a PEG compound composed of DSPE and the APRPG peptide. It is utilized in drug delivery applications.</p>

<p>20-hydroxy LTB4, a LTB4 metabolite in neutrophils, is less active (~5%) but inhibits LTB4-induced degranulation, retains BLT2 affinity, non-agonist.</p>

<p>Carbonic anhydrase inhibitor29 (Compound 5d) is an inhibitor targeting carbonic anhydrase IX and XII, with an inhibition constant (Ki) of 26.6 nM for carbonic anhydrase IX and a Ki of 10.9 nM for carbonic anhydrase XII. Carbonic anhydrase inhibitor29 can be used in cancer research.</p>

<p>CAXII-IN-2 (compound 3j) is a highly effective inhibitor of CAXII. It demonstrates inhibitory activity against CA IX and CAXII, with Ki values of 27.4 nM and 4.0 nM, respectively.</p>

<p>Pestalotin, a fungal derivative, promotes rice seedling growth and sugar release, has antifungal properties, and is cytotoxic to certain cells.</p>

<p>9(S)-HODE cholesteryl ester, from atherosclerotic lesions, has an uncertain origin and serves as a standard for chiral ester analysis.</p>

<p>Ninopterin is an experimental antineoplastic and folic acid analog.</p>

<p>hDHODH-IN-16 (Compound 3t) is an inhibitor of human dihydroorotate dehydrogenase (hDHODH) with an IC50 of 0.11 μM. It demonstrates very low cytotoxicity towards healthy HaCaT cells, with an IC50 value exceeding 200 μM.</p>

<p>Acetildenafil is an analog of the phosphodiesterase inhibitor sildenafil.</p>

<p>UDP-GlcNAc disodium is a substrate for O-GlcNAc transferase and removed by O-GlcNAcase, produced in the hexosamine pathway regulated by GFAT.</p>

<p>Terpendole I, from A. yamanashiensis, inhibits ACAT (IC50=145 μM), fights B. cereus/subtilis (MIC=100 μg/ml), and kills HeLa cells (IC50=52.6 μM).</p>

<p>Calcitroic acid is a vitamin D receptor (VDR) agonist that activates VDR-mediated transcription. It is the primary metabolite of 1,25-dihydroxyvitamin D3, showing the highest concentrations in the liver and mucosa of mice. The compound exhibits metabolic stability and extremely low toxicity.</p>

<p>PGE2 is a biomarker for inflammation and disease; its unstable urinary metabolite, tetranor-PGEM, and its byproduct, tetranor-PGAM, indicate biosynthesis.</p>

<p>Rovicurt is use as a pesticide.</p>

<p>Abieslacton possesses anti-tumor promoting activity isolated from several Abies genus.</p>

FASN-IN-4 tosylate: Fatty acid synthase inhibitor, IC50 10 nM; blocks SARS-CoV-2, EC50 18.6 nM.

<p>(Rac)-5-Keto Fluvastatin (rac 5-Keto Fluvastatin) is an impurity of Fluvastatin which is an inhibitor of HMG-CoA reductase.</p>

<p>Enpp-1-IN-21 (compound 4g) is an inhibitor of ectonucleotide pyrophosphatase/phosphodiesterase 1 (ENPP1), with IC50 values of 0.45 μM for ENPP1 and 0.19 μM for ENPP3.</p>

<p>2-Pentyl-1H-benzo[d]imidazole is a micromolar level inhibitor of Cytochrome P450 1A1 and 2B1 and has antibacterial activity against Fusarium verticillioides.</p>

<p>Osmanthuside H is a useful organic compound for research related to life sciences. The catalog number is T125796 and the CAS number is 149155-70-4.</p>

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

<p>2-Methylpyrrolidine is an endogenous secondary metabolite that can be used for relevant research in the life sciences.</p>

Bupirimate, a systemic fungicide for powdery mildew in roses and apples, belongs to pyrimidines.

<p>α-Amylase-IN-4 (Compd 10y) exhibits the highest level of amylase inhibition, demonstrating an IC50 value of 17.83 ± 0.14 μg/mL [1].</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>

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>glutamate transport blocker</p>

<p>Folitixorin calcium is an antineoplastic enhancing agent.</p>

Mycophenolate Mofetil: Non-competitive, selective inhibitor of IMP dehydrogenase I/II, IC50: 39/27 nM.

<p>Heptanoyl-L-carnitine is a medium-chain acylcarnitine and derivative of L-carnitine .</p>

<p>DSPE-PEG5000-CREKA is a PEG compound composed of DSPE and the fibrin-targeting peptide (CREKA). The CREKA peptide is utilized for targeting tumor cells and tumor vasculature, exhibiting anti-tumor activity. DSPE-PEG5000-CREKA is applicable in drug delivery systems.</p>

<p>SLC7A11-IN-3 (Compound 42711_11) acts as an inhibitor of SLC7A11.</p>

<p>8′-Hydroxy ABA (8'-OH-ABA), a key metabolite of abscisic acid (ABA), exhibits hormonal activity by promoting enhanced oil synthesis.</p>

<p>Fexarene is a non-steroidal FXR agonist.</p>

<p>Glycerol-3-phosphate oxidase, from E. coli, is crucial in glycerol metabolism and phospholipid formation, producing electrons via oxidation.</p>

<p>COMT-IN-2 (compound 9) is the most potent inhibitor of COMT, exhibiting selective inhibition for brain (IC50=24 nM) and liver (IC50=81 nM) MB-COMT compared to the liver S-COMT isoform (IC50=620 nM).</p>

<p>BtGH84 Activator I is a BtGH84 activator. It is the small molecule activator of a glycoside hydrolase.</p>

<p>PKM2-IN-3 inhibits PKM2 kinase with 4.1 μM IC50, curbing glycolysis and NLRP3, reducing neuroinflammation.</p>

<p>Probestin is an aminopeptidase M inhibitor, isolated from Streptomyces azureus MH663-2F6.</p>

<p>Largazole is a potent and selective histone deacetylase (HDAC) inhibitor and antiproliferative agent from Symploca.</p>

<p>PDE1-IN-5 (Compound 10c) is a selective PDE1C inhibitor with an IC50 of 15 nM, exhibiting anti-inflammatory properties through the inhibition of iNOS, TNF-α, IL</p>

<p>(+)-Geodin, a fungal metabolite, boosts fibrinolysis in BAECs (50-150 μM) and glucose uptake in rat adipocytes (1-100 μg/ml).</p>

<p>8,11,14-Eicosatrienoic acid, also known as dihomo-γ-linolenic acid , is a polyunsaturated fatty acid (PUFA) produced from γ-linolenic acid by the action of</p>

<p>L-Proline-15N is an isotopically labeled amino acid suitable for metabolic research, aiding in the exploration of amino acid metabolism pathways and mechanisms.</p>

<p>TPH1-IN-1 (compound 40) is a xanthine derivative that serves as an inhibitor of tryptophan hydroxylase TPH1, with an IC50 of 110.1 nM.</p>

<p>DSPE-PEG1000-CREKA is a PEG compound composed of DSPE and the fibrin-targeting peptide (CREKA). The CREKA peptide has the capability to target tumor cells and tumor vasculature, exhibiting anti-tumor activity. Additionally, DSPE-PEG1000-CREKA can be utilized for drug delivery.</p>

<p>DF-461 is an inhibitor of squalene synthase.</p>

<p>FR106969 is a platelet activating factor antagonist isolated from fungus with anti-inflammatory activity.</p>

<p>Triethyl phosphate is a chemical compound. It can be called "phosphoric acid, triethyl ester".</p>