Metabolism

<p>α-Muricholic acid is the most abundant primary bile acid in rodents.</p>

<p>AY 9944 dihydrochloride is a intermediate.</p>

<p>SHP2-IN-37 (compound C5) is a potent allosteric inhibitor selective for SHP2, with an IC50 of 0.023 μM. It exhibits antiproliferative effects on KYSE-520 and MV-411 cells, with IC50 values of 6.97 μM and 0.67 μM, respectively.</p>

<p>N-Lactylleucine is an endogenous metabolite detectable in patients with intermediate maple syrup urine disease.</p>

<p>Guanosine triphosphate tritris (GTP tritris) serves as a crucial enhancer in myocyte differentiation, playing an essential role in regulating miRNA-muscle regulatory factors. It promotes the release of exosomes rich in guanine and guanine-derived molecules, and is considered an activation precursor for RNA synthesis. In mitochondrial functionality, GTP is involved in the entry of proteins into the matrix, which is vital for various regulatory pathways. It initiates peptide synthesis by facilitating the binding of formylmethionine-tRNA to the ribosome, and aids in polypeptide chain elongation. Additionally, GTP acts as a carrier for phosphates and pyrophosphates, channeling chemical energy into specific biosynthetic pathways. It activates signal transduction G proteins, regulates cellular processes such as proliferation and differentiation, and its hydrolysis by small GTPases (including Ras and Rho) is indispensable for both proliferation and apoptosis. Furthermore, the small GTPase Rab assists in vesicle docking, fusion, and formation. Beyond signal transduction, GTP is also an energy-rich precursor in the biosynthesis of DNA and RNA enzymes.</p>

<p>4,7,10,13,16-Docosapentaenoic acid is an endogenous metabolite.</p>

<p>Acremonidin A, from Purpureocillium lilacinum, is a strong CaM inhibitor binding to hCaM M124C-mBBr with a Kd of 19.40 nM.</p>

<p>Doxorubicinol hydrochloride, also known as 13-Dihydroadriamycin hydrochloride, is a secondary alcohol metabolite derived from Doxorubicin.</p>

<p>Isodihydroauroglaucin is a useful organic compound for research related to life sciences. The catalog number is T124274 and the CAS number is 74886-31-0.</p>

<p>C22 Galactosylceramide, a CNS sphingolipid, rises in mouse spinal cord on a methionine-restricted diet, found in Alzheimer's hippocampus.</p>

<p>C2 L-threo Ceramide is a sphingolipid that modulates cholesterol in cells and affects IL-4, cell cycle, and leukemia cell growth.</p>

<p>DSPE-PEG2000-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>β-1,4-GALT1-IN-1 (Compound 6) is a β-1,4-GALT1 inhibitor with an IC50 value of 6.2 μM. It is applicable in studying various pathological conditions, including cancer, autoimmune diseases, and viral infections.</p>

<p>(R)-ICMT-IN-3 (compound ent 2-27) functions as a potent inhibitor of ICMT, exhibiting an IC50 value of 0.01 μM [1].</p>

<p>Ercalcidiol is a metabolite of vitamin D2 and can be used in monitoring vitamin D therapy.</p>

<p>PTP1B-IN-14 is a selective inhibitor of Protein Tyrosine Phosphatase 1B (PTP1B) that targets the allosteric site, exhibiting an inhibitory concentration (IC50)</p>

<p>FCE 28073 is a Monoamine oxidase B inibitor with IC50 of 0.45 uM.</p>

<p>N-Fmoc-D-glutamine is Fmoc-protected alpha-glutamine. Alpha-glutamine is an α-amino acid and the most abundant free amino acid in human blood.</p>

<p>Mefox is a bioactive chemical.</p>

<p>FZQ-21 (Compound 70P) is an inhibitor of the water-soluble epoxide hydrolase (sEH), with an IC50 value of 4 nM. The IC50 for inhibiting human sEH is 1.5 nM, which is comparable to that of EC5026 (1.7 nM). FZQ-21 is utilized in sepsis research.</p>

<p>L-Aspartic acid (Standard) is a standard material used in the analysis of L-Aspartic acid, commonly referenced in its research and analysis.</p>

<p>Boc-Glu(OBzl)-OH (Boc-Glu(OBzl)-OH) is an Glutamic acid derivative.</p>

<p>ACAT-IN-7 inhibits ACAT enzyme; blocks NF-κB mediated transcription.</p>

<p>Dazonone (Imidazo[2,1-b]quinazolin-2(3H)-one, 6-chloro-1,5-dihydro-3-methyl-) is a specific PDE III inhibitors.</p>

<p>DSPE-PEG2000-R6H4 is a PEG compound composed of DSPE and a pH-responsive cell-penetrating peptide (R6H4). The R6H4 component is utilized for pH-responsive anticancer drug delivery. Additionally, DSPE-PEG2000-R6H4 is applicable in drug delivery systems.</p>

<p>Ovalbumin (154-159), a peptide fragment derived from ovalbumin, acts as a potent inhibitor of the angiotensin-converting enzyme (ACE) and is utilized in</p>

<p>Creatine riboside, a urinary metabolite, is a diagnostic and prognostic biomarker of lung cancer.</p>

<p>α-Glucosidase-IN-85 (Compound 8D1) functions as an inhibitor of α-Glucosidase, with an IC50 of 5.43 μM. This compound is useful for research related to type 2 diabetes.</p>

<p>(-)-Vorozole, potent/selective oral non-steroidal aromatase inhibitor, shows antitumor activity, used in breast cancer research.</p>

<p>DM-CO-(CH2)5-SMe, derived from an antibody-drug conjugate (ADC) metabolite, serves as an anticancer agent with demonstrated cytotoxicity against H1703, H1975,</p>

<p>DSPE-PEG2000-YIGSR is a PEG compound composed of DSPE and the biomimetic peptide YIGSR. YIGSR interacts with the 67 kDa laminin-binding protein (LBP), enhancing the adhesion and proliferation of various cell types, including endothelial cells, fibroblasts, and smooth muscle cells. DSPE-PEG2000-YIGSR is applicable in drug delivery.</p>

<p>Lodenafil carbonate is a prodrug, orally used as a PDE5 inhibitor for ED treatment.</p>

<p>hCAIX/XII-IN-11 (Compound 6c) is an inhibitor of hCA IX and hCA XII, exhibiting Ki values of 0.7 μM for both isoforms. This compound is applicable in cancer research.</p>

<p>(Rac)-sn-Glycerol 3-phosphate sodium, an a-site substrate analogue, inhibits indole reactions with E(A-A).</p>

<p>SB-435495 hydrochloride is a potent, selective, reversible, non-covalent, and orally active inhibitor of Lp-PLA2, exhibiting an IC50 of 0.06 nM [1] [3].</p>

<p>1alpha, 25-Dihydroxy VD2-D6 is a deuterated form of vitamin D.</p>

<p>ST6Sialyltransferase5 (EC:2.4.3.3, ST6GALNAC5, SIAT7E, ST6 N-acetylgalactosaminide alpha-2,6-sialyltransferase 5) transfers sialic acid to N-acetylgalactosamine (GalNAc) residues. It may serve as a biomarker in cervical screening samples.</p>

<p>Ganoderenic acid K, from Ganoderma lucidum, inhibits HMG-CoA reductase with an IC50 of 16.5 μM.</p>

<p>2,5-Anhydro-D-glucitol-1,6-diphosphate mildly stimulates yeast Pyruvate Kinase; it's an analogue of a potent activator.</p>

<p>Preterramide C is a fungal metabolite that has been found inA.</p>

<p>Vitamin K5, a photosensitizer &amp; antimicrobial, inhibits PKM2, PKM1 &amp; PKL, induces apoptosis in colon cells, and preserves food &amp; medicine.</p>

<p>IDO1-IN-24 (compound 2c) inhibits the production of IDO1 during cell assays, with an IC50 value of 17 μM.</p>

<p>MPO-IN-6 (compound ADC) is an electrophilic agent with excellent antioxidant and anti-inflammatory properties. It acts as an inhibitor of myeloperoxidase (MPO), dipeptidyl peptidase-4 (DPP-4), and α-glucosidase (α-GD), with IC50 values of 10 μM, 31.02 μM, and 46.05 μM, respectively. MPO-IN-6 may serve as a potential cardiovascular protective agent.</p>

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

<p>SHP2-IN-34 (compound A8) is a phenylurea SHP2 inhibitor with anti-cancer properties. It significantly suppresses tumor growth in CT26 mouse models.</p>

<p>IYPTNGYTR acetate, a deamidation-sensitive peptide derived from Trastuzumab, is a suitable tool for monitoring the metabolism of Trastuzumab in vivo [1].</p>

<p>Terpendole C, an indole diterpene from A. yamanashiensis, inhibits ACAT with IC50 of 2.1 μM in rats, 0.46 μM in J774 cells, non-toxic.</p>

<p>AChE/BChE-IN-17 (compound 8m) is a potent inhibitor of AChE and BChE, displaying IC50 values of 125.06 nM and 119.68 nM, respectively. Additionally, AChE/BChE-IN-17 inhibits α-glucosidase, with an IC50 of 41050 nM.</p>

<p>Uricase catalyzes uric acid to allantoin in many mammals' peroxisomes, used in biochemistry.</p>

<p>Rubratoxin B is a mycotoxin that causes hypoglycemia and fatty liver and has exhibited anticancer activity.</p>

<p>Clostripain is a protease from Clostridium with esterase, amidase activities, targeting arginine.</p>

<p>Thalifendine chloride is a metabolite of berberine,the methoxy group at the C-10 position undergoes demethylation by CYP51. cytotoxicity against P-388 cells.</p>

<p>1-Arachidonoyl LPA: phospholipid with arachidonic acid, sn-1, LPA2 receptor binder, EC50 ~10 nM, modulates cytokine secretion, affects cell differentiation.</p>

<p>NADP+ is the oxidized cofactor form of NADPH, vital for cell survival, redox balance, and signaling; synthesized from NAD+ and ATP.</p>

<p>2-NP-AMOZ, a 2-nitrophenyl AMOZ, detects protein-bound AMOZ, a Furaltadone metabolite.</p>

<p>5-NH2-Baicalein, an aminated metabolite of Baicalein, can be utilized for researching ammonia and ammonia-associated chronic diseases [1].</p>

<p>PTP1B-IN-25 (Compound 19) is an inhibitor of PTP1B with notable antiviral, antibacterial, and antidiabetic activities. It exhibits IC50 values of 0.37 μM for PTP1B, 8.6 μM for HIV, 3.7 μM for α-Glucosidase, and 29 μM for methicillin-resistant Staphylococcus aureus (MRSA).</p>

<p>ω-Conotoxin MVIIA is a potent, selective inhibitor of Ca_v2.2, exhibiting an IC_50 of 0.33 μM in the SH-SY5Y fluorimetric hCa_v2.2 assay [1].</p>

<p>Febuxostat impurity 6 is an impurity of Febuxostat. Febuxostat is selective xanthine oxidase inhibitor with a K i of 0.6 nM [1] .</p>

<p>Triornicin is a siderophore and tumor inhibitory factor isolated from Epicoccum purpurascens similar in structure to desferricoprogen.</p>

<p>Carbonic anhydrase inhibitor32 (compound 5B) is an orally active, selective inhibitor of hCA (carbonic anhydrase) II/VII, with Ki values of 6.3 nM for hCA II, 10.1 nM for hCA VII, and 681 nM for hCA I. It shows potential for neuroprotection and anticonvulsant effects by reducing mTOR activation and increasing hippocampal KCC2 levels.</p>

<p>LOC1886 is a covalent inhibitor of GPX4, with slightly lower potency compared to RSL3 and ML162.</p>

<p>Ilexoside O, a root-derived triterpene saponin, modestly blocks XOD with an IC50 of 53.05 μM.</p>

<p>(±)18-HETE (18-Hydroxyeicosatetraenoic acid) is an arachidonic acid metabolite with a hydroxyl group on carbon 18, catalyzed by cytochrome P-450.</p>

<p>HIV-IN-9 (Compound 2b) is an HIV inhibitor with an IC50 value of 6.65 μg/mL, demonstrating high binding affinity for HIV-RT.</p>

<p>AK-4 is an antidiabetic agent that functions as a mitochondrial uncoupler.</p>

<p>ASM-IN-3 (Compound 21b) is a selective acid sphingomyelinase (ASM) inhibitor that can penetrate the blood-brain barrier, with an IC50 of 3.37 μM against purified human ASM. By inhibiting ASM activity in the hippocampus and promoting neurogenesis, ASM-IN-3 alleviates depressive-like behavior in reserpine-induced depressive rats.</p>

<p>A unique collection of 1268 cancer cellular metabolism related compounds for cancer research and high throughput screening (HTS) and high content screening (HCS</p>

<p>PDE11A4-IN-1 (compound 23b) is a potent, selective inhibitor of PDE11A4, demonstrating an IC50 of 12 nM and exhibiting high selectivity against PDE1, PDE2,</p>

<p>7β,25-Dihydroxycholesterol, an endogenous metabolite, functions as chemoattractants for immune cells that express EBI2 [1].</p>

<p>1,2-Dilinoleoyl-sn-glycerol, a DAG with two linoleic acids, is in rat liver, spinach membranes, and indicates preeclampsia risk in pregnancy.</p>

<p>1,3-Dipalmitoleoyl-rac-glycerol: a diacylglycerol inhibiting yeast α-glucosidase over rat's (IC50s: 4.45 vs 9326.5 μM). Used to study membrane potentials.</p>

<p>Vildagliptin's main human metabolite inhibits DPP-4 (IC50: 477 μM) in Caco-2 cells, formed by cyano group hydrolysis.</p>

<p>(24R)-MC 976 is a derivative of Vitamin D3.</p>

<p>PDE2A-IN-1 is a phosphodiesterase 2A (PDE2A) inhibitor with an IC 50 value of 1.3 nM.</p>

<p>Microcystin YR (Cyanoginosin YR) is a cyclic peptide and acts as an inhibitor of protein phosphatase 2A (PP2A).</p>

<p>Captopril EP Impurity E, an ACE inhibitor with antihypertensive properties, has an IC50 of 0.025 μM.</p>

<p>Compound 5, DDC 3′-O-β-D-glucuronide, is a drug metabolite with properties that inhibit the fibrillization and oligomerization of Aβ42, suggesting its potential</p>

<p>Cellohexaose, a cellulose-derived polymer, comprises at least two β(1-4) linked D-glucose units.</p>

<p>DSPE-PEG2000-Octreotide is a PEG compound composed of DSPE and Octreotide. Octreotide serves as a somatostatin receptor agonist with antitumor properties, mediating apoptosis and applicable in acromegaly research. DSPE-PEG2000-Octreotide is employed in drug delivery systems.</p>

<p>Geranyl pyrophosphate, an intermediary for making cholesterol, terpenes, and others, forms from dimethylallyl and isopentenyl pyrophosphates.</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>Triethyl phosphate is a chemical compound. It can be called "phosphoric acid, triethyl ester".</p>

<p>Muvalaplin tetrahydrochloride (LY3473329) is an orally active lipoprotein (a)Lp(a) agent currently under investigation. Research on the oral formulation of Muvalaplin tetrahydrochloride is ongoing.</p>

<p>13,14-dihydro PGE1, a metabolite of PGE1, inhibits platelet aggregation and activates adenylate cyclase with IC50 of 31/21 nM and Kact 668 nM.</p>

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

<p>12(S)-HETE, from arachidonic acid via 12-lipoxygenase, is found in platelets and leukocytes, aids tumor cell adhesion, with a derivative used in research.</p>

<p>(Rac)-Mono(3,5,5-trimethylhexyl) phthalate: a key metabolite of phthalate plasticizers with immune-suppressing effects.</p>

<p>1, 4-butanediamine is an aliphatic diamine compound that can be used as an analytical reagent to assist in precise detection experiments and also as a dye intermediate to facilitate the synthesis of various functional dyes.</p>

<p>SGK1-IN-4 is a selective inhibitor of SGK1 and can be used in studies about osteoarthritis.</p>

<p>Pomonic acid, a triterpenoid, inhibits cholesterol ester build-up and ACAT activity.</p>

<p>1-Amino-1-deoxy-D-fructose is an amino sugar causing DNA damage at pyrimidine sites, found in elevated levels in diabetics.</p>

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

<p>Ninerafaxstat trihydrochloride shifts cellular metabolism to glucose oxidation from fatty acid oxidation.</p>

<p>VU533 is a NAPE-PLD activator, EC50=0.30 µM, boosts macrophage activity, potential in cardiometabolic diseases.</p>

<p>SDUY817 is a dual APN/NEP inhibitor with IC50 values of 0.29 μM for APN and 7.4 μM for NEP. It exhibits analgesic effects in a concentration- and time-dependent manner, making it a potential candidate for research in the field of neuropathic pain disorders.</p>

<p>α-Glucosidase-IN-84 (Compound 7j) is a competitive inhibitor of α-glucosidase, exhibiting an IC50 of 50 μM and a Ki of 32 μM. It shows potential for application in metabolic disease research, particularly in studies related to type 2 diabetes.</p>

<p>Fibrostatin C is an inhibitor of prolyl 4-hydroxylase. It is produced by Streptomyces catenulae subsp.</p>

<p>Berninamycin D, a cyclic peptide derived from Streptomyces bernensis through fermentation, is recognized as a fungal metabolite [1].</p>

<p>DL-TBOA ammonium is a potent EAAT inhibitor with IC50 (6-70 μM) and Ki (3.2-42 μM) against EAAT1-5, blocking [14C]glutamate uptake.</p>