Metabolism

<p>Fexofenadine Impurity F: byproduct of anti-allergy drug for hay fever and hives.</p>

<p>CYP51-IN-17 (compound 7a) is a potent CYP51 inhibitor with an IC50 of 0.377 μg/mL. It exhibits significant fungicidal activity against B. cinerea, with an EC50 of 0.326 μg/mL.</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>Carpachromene is a useful organic compound for research related to life sciences and the catalog number is T124630.</p>

<p>SGK1-IN-3 hydrochloride (compound 3a) is an efficacious, orally bioavailable SGK1 inhibitor. The serine/threonine kinase SGK1 acts as an activator of the β-catenin pathway and strongly stimulates cartilage degradation, being upregulated under genomic control in diseased osteoarthritic cartilage. SGK1-IN-3 hydrochloride holds potential for osteoarthritis research.</p>

<p>DHODH-IN-18 is a human DHODH inhibitor ( IC 50 = 0.2 nM).</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>α-Glucosidase-IN-60 (Compound 5k) acts as a competitive inhibitor of α-Glucosidase, with an IC50 of 10.8 μM.</p>

<p>(3S,5R)-Fluvastatin D6 sodium: deuterium-labeled synthetic HMG-CoA reductase inhibitor with 8 nM IC50.</p>

<p>Nampt degrader-2: a fluorescent PROTAC that degrades NAMPT at IC50 41.9 nM, reducing NAD+ and having anti-tumor effects.</p>

<p>α-Glucosidase-IN-42 (Compound 26), a 9-O-berberrubine carboxylate derivative, exhibits potent α-glucosidase inhibitory activity with an IC50 value of 1.61 μM</p>

<p>α-Glucosidase-IN-67 (compound 5k) is a potent inhibitor of α-glucosidase, exhibiting IC50 values of 0.31 µM for α-glucosidase and 4.51 µM for α-amylase. This compound shows potential for research in type 2 diabetes.</p>

<p>N-Nonyldeoxynojirimycin (NN-DNJ) is an inhibitor of acid α-glucosidase and α-1,6-glucosidase (IC50s = 0.42 and 8.4 μM, respectively).</p>

<p>Roridin L2 is a natural product for research related to life sciences. The catalog number is T41264 and the CAS number is 85124-22-7.</p>

<p>C17 Sphingomyelin is a synthetic derivative of sphingomyelin that has been used as an internal standard for the quantification of sphingomyelin.</p>

<p>Transketolase-IN-6 (Compound 6bj) serves as a lead compound for herbicides. It achieves approximately 80% root inhibition in redroot pigweed (Amaranthus retroflexus) and green foxtail (Setaria viridis). Moreover, Transketolase-IN-6 is an effective inhibitor of transketolase (TK).</p>

<p>Deacetylsclerotiorin is a chloroazaphilones produced by the fungus Bartalinia robillardoides strain LF550.</p>

<p>10-FTHF is a donor of formyl groups in anabolism used as a substrate in formyltransferase reactions, which is important in purine biosynthesis.</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>A32390A, an antibiotic inhibitor, shows antimicrobial activity against gram-positive bacteria and fungi.</p>

<p>Rennin or Chymosin, a stomach enzyme in some animals, curdles milk by cleaving K-casein; key in cheese making.</p>

<p>Fmoc-Cys-Asp10 (TFA) is a non-releasable oligopeptide linker involved in synthesizing releasable oligopeptide linkers. These releasable linkers are used to deliver drugs to fracture-targeting oligopeptides, thereby reducing the healing time of fractured femurs.</p>

<p>GZ22-4 is a near-infrared (NIR) fluorescent probe with a high affinity for carbonic anhydrase IX (CAIX), exhibiting a dissociation constant (Kd) of 0.2 nM. It is applicable in studies for visualizing CAIX-positive tumors.</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>DSPE-PEG-Maleimide (MW 3400) ammonium combines DSPE phospholipids with maleimide for the preparation of nanostructured lipid carriers. It is applicable in drug delivery research.</p>

<p>α-Glucosidase-IN-50 (compound 8) acts as an inhibitor of α-Glucosidase.</p>

<p>Endogenous vasoactive dinucleotide isolated from thrombocytes; found in secretory vesicles across various cells.</p>

<p>α-Amylase/α-Glucosidase-IN-15 (compound 6C) is an orally active inhibitor of α-glucosidase (α-Glucosidase) and α-amylase (α-amylase), with IC50 values of 21 μM and 61 μM, respectively.</p>

<p>Fluazifop-P-butyl is an arylophenoxypropionate group graminicide that functions as an inhibitor of acetyl-CoA carboxylase (ACCase)[1].</p>

<p>Phospholipid with stearic acid at sn-1, adrenic acid at sn-2; less in older human hippocampal mitochondria.</p>

<p>TPT-004, a TPH inhibitor, exhibits superior pharmacokinetic and pharmacodynamic properties, and demonstrates efficacy in preclinical models for attenuating</p>

<p>α-Amylase/α-Glucosidase-IN-9 (compound 5h) is a dual inhibitor of α-amylase (IC50= 16.4 μM) and α-glucosidase (IC50= 31.6 μM).</p>

<p>α-Amylase/α-Glucosidase-IN-14 is an orally bioactive inhibitor of α-amylase and α-glucosidase, with IC50 values of 45.53 μM and 27.73 μM, respectively.</p>

<p>CAY10581, a derivative of pyranonaphthoquinone, serves as a highly specific and reversible uncompetitive inhibitor of IDO, demonstrating potency with an IC50</p>

<p>α-Glucosidase-IN-55 (Compound 8g) is an orally active, competitive inhibitor of α-glucosidase with an IC50 value of 12.1 µM and a Ki value of 9.66 µM. It is useful for research related to Type 2 Diabetes Mellitus (T2DM), as it can enhance glycemic control and metabolic health.</p>

<p>PROTACNAMPT Degrader-1 is an effective NAMPT-targeting PROTAC with a DC50 value of 217 nM. It exhibits antiproliferative activity, with an IC50 value of 0.12 μM against A2780 cells.</p>

<p>α-Glycerophosphate Dehydrogenase-Triosephosphate (GDH-TIM) is an enzyme mixture composed of glycerophosphate dehydrogenase (GDH) and triosephosphate isomerase (TIM). This compound is employed to measure transketolase (TK) activity in erythrocyte hemolysates, which helps in assessing vitamin B deficiency.</p>

<p>α-Amylase/α-Glucosidase-IN-12 (compound 10k) is a dual inhibitor targeting α-glucosidase and α-amylase, with IC50 values of 34.52 nM and 24.62 nM, respectively. This inhibitor is designed based on [triazolo[4,3-b][1,2,4]triazine and holds potential for diabetes research.</p>

<p>PDE4-IN-3, a new oral drug, potently blocks PDE4 enzyme with 4.2 nM IC50.</p>

<p>FABP4-IN-3 (Compound C3) is a highly selective inhibitor of FABP4, with an inhibition constant (Ki) of 25 ± 3 nM for FABP4 and a Ki of 15.03 μM for FABP3, showcasing a selectivity factor of 601 times over FABP3. It also demonstrates metabolic stability and potent anti-inflammatory activity in cells, making it a promising candidate for research in metabolic disorders, cardiac dysfunction, and inflammation-related diseases.</p>

<p>Compound 21, an orally active and selective RARα antagonist, exhibits a potent inhibition of the retinoic acid receptor α with an IC50 of 4.6 nM [1].</p>

<p>D-Threonine (H-D-Thr-OH) is one of the metabolites of Saccharomyces cerevisiae.</p>

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

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

<p>VU534 is a NAPE-PLD agonist with an EC50 of 0.30 μM.VU534 is a dual inhibitor of FAAH and sEH, with an IC50 of 1.2 μM for sEH.VU534 is used in diseases related</p>

<p>DSPE-PEG-Maleimide (ammonium) (MW 2000) is a compound containing DSPE phospholipids and maleimide, designed for the preparation of nanoscale lipid carriers. It is applicable in the study of drug delivery systems.</p>

<p>α-Glucosidase-IN-26 (Compound 7i), with an IC50 value of 4.63 µM, functions as an α-glucosidase inhibitor and is utilized in research related to type 2 diabetes</p>

<p>Ilexsaponin B2 is a natural product for research related to life sciences. The catalog number is TJS0502 and the CAS number is 108906-69-0.</p>

<p>N-Lactoyl-Tyrosine is an amino acid derivative and endogenous metabolite, widely used in biochemical experiments and drug synthesis research.</p>

<p>Arachidonoyl-L-carnitine chloride is an endogenous metabolite and acylcarnitine widely used in biochemical experiments and studies of metabolic disorders.</p>

<p>D-Pro-Phe-Arg-Chloromethylketone, an inhibitor of coagulation factor XII and plasma kallikrein, is significant in the regulation of thrombosis and inflammation</p>

<p>A collection of xnum selected human endogenous metabolites for high throughput and high content screening.</p>

<p>N6-Isopentenyladenosine, an end product of the mevalonate pathway, is an autophagy inhibitor with anti-melanoma activity.</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>Cell-penetrating peptide</p>

<p>DSPE-PEG1000-ESBP is a PEG compound composed of DSPE and an E-selectin binding peptide (ESBP). As a tumor-targeting peptide, ESBP can specifically recognize and bind to receptors or markers on the surface of tumor cells.</p>

<p>Amidases, belonging to the nitrilase superfamily, catalyze amide hydrolysis to yield carboxylic acid and ammonia.</p>

<p>3-Hydroxyanisole has inhibitory activity against MAO-A (IC50 = 24 ± 2.8 μM) and can be used to study neurological and psychiatric diseases.</p>

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

<p>IDO1-IN-23 (compound 41) is a potent inhibitor of human indoleamine 2,3-dioxygenase 1 (IDO1), exhibiting an IC50 of 13 μM [1].</p>

<p>9-cis-Vitamin A palmitate, a 9-cis isomer in corn flakes, has 26% activity of all-trans-vitamin A, the most active form.</p>

<p>AV22-149 (compound 22) is an inhibitor of Carbonic Anhydrase .</p>

<p>BuChE-IN-15, a chemical compound, exhibits potent inhibitory activity with IC50 values of 81 nM and 400 nM, respectively. It also demonstrates good blood-brain barrier permeability and neuroprotective properties, making it suitable for research in Alzheimer's disease.</p>

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

<p>HIF-1α-IN-6 (compound 3s) is a potent inhibitor of HIF-1α, demonstrating IC50 values of 0.6 nM and 53.3 nM in MiaPaCa-2 and MDA-MB-231 cells, respectively.</p>

<p>hCAIX-IN-19 is a sulfonamide inhibitor with an inhibition constant (KI) of 6.2 nM for hCAIX, exhibiting significant selectivity towards hCAIX over hCAI (hCA I/</p>

<p>α-Glucosidase-IN-75 (compound 13) is an inhibitor of α-glucosidase, exhibiting an IC50 value of 3.81 μM. It is employed in the study of cardiovascular diseases induced by high glucose levels.</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>N-Lactylleucine is an endogenous metabolite detectable in patients with intermediate maple syrup urine disease.</p>

<p>S-Phenylmercapturic acid is a metabolite of benzene that can be used as a biomarker to assess benzene exposure.</p>

<p>SHO1122147 (Compound 7m) disrupts the mitochondrial electron transport chain, demonstrating mitochondrial uncoupling activity (EC50=3.6 μM). It increases the cellular oxygen consumption rate (OCR=69%) and enhances cellular respiration. Additionally, SHO1122147 is orally active and can be utilized in research related to obesity and metabolic dysfunction-associated steatohepatitis (MASH).</p>

<p>Zaragozic acid D inhibits squalene synthase and ras farnesyl-protein transferase isolated from the keratinophilic fungus Amauroascus niger.</p>

<p>Lipoxygenase (LOX) is a dioxygenase that catalyzes the peroxidation of linoleic acid (LA) or arachidonic acid (AA) in the presence of molecular oxygen.</p>

<p>CUDA is an effective soluble cyclohydrolase inhibitor with IC50 of 11.1 nM and 112 nM for mouse sEH and human sEH, respectively.</p>

<p>Z-Asp(OBzl)-OH (N-Cbz-L-Aspartic acid 4-benzyl ester) is an aspartic acid derivative.</p>

<p>Ercalcitriol, active Vitamin D2 metabolite, boosts immunity by regulating CAMP and DEFB4 genes against infections.</p>

<p>DSPE-PEG1000-PP1 is a PEG compound composed of DSPE and the PP1 peptide. The PP1 peptide targets inflammatory atherosclerotic plaques. DSPE-PEG1000-PP1 is suitable for drug delivery applications.</p>

<p>2,6-Diphenylpyridine is toxic to MDA-MB-231 cells and has anticancer potential.</p>

<p>BMT-297376, the optimized Linrodostat, is a potent IDO1 inhibitor.</p>

<p>DSPE-PEG2000-TAT is a PEG compound consisting of DSPE and the cell-penetrating peptide (TAT) peptide. It can be used for drug delivery.</p>

<p>9(R)-HODE cholesteryl ester, from atherosclerotic lesions, may form enzymatically or by lipid peroxidation; used as a chiral analysis standard.</p>

<p>Calciseptine, a neurotoxin isolated from the Black Mamba (Dendroaspis p.</p>

<p>Speract, a peptide from sea urchin eggs, regulates sperm motility and stimulates sperm mitochondrial metabolism.</p>

<p>hCAII/IX-IN-1 (compound 4o) is a potent inhibitor of hCAII and hCAIX, with Ki values of 7.4 nM and 7.0 nM, respectively. It plays a significant role in cancer research.</p>

<p>Purine nucleoside phosphorylase deficiency impairs T cells; it breaks bonds in DNA components, releasing bases and ribose phosphate.</p>

<p>7-Methylguanosine 5’-diphosphate (7-Methyl-GDP) sodium, a cap analog, is utilized in the synthesis of mRNA cap analogues[1].</p>

<p>hCAII/XII-IN-1 (compound 4l) is a potent inhibitor of hCAXII and hCAII, with Ki values of 8.4 nM and 9.4 nM, respectively. It plays a significant role in cancer research.</p>

<p>BAY-588 is an inactive control probe of BAY-876 which is an inhibitor of GLUT1.</p>

<p>Coproporphyrin III is a derivative of porphyrin.</p>

<p>Mitochondrial inhibitor 49 (respiration-IN-1 hydrobromide, IC50=8.8 mg/mL) from US20110301180A1 reduces platelet respiration.</p>

<p>Alanine aminotransferase (ALT), a pyridoxal-dependent enzyme, catalyzes the reversible interconversion of L-alanine and 2-oxoglutarate into pyruvate and L-</p>

<p>ISM012-042 is an orally active inhibitor of PHD1 and PHD2, with IC50 values of 1.9 and 2.5 nM, respectively. At a concentration of 2.5 μM, ISM012-042 protects Caco-2 cells from DSS-induced barrier damage. Additionally, in LPS-induced bone marrow-derived dendritic cells (BMDC) from mice, ISM012-042 exhibits anti-inflammatory properties by dose-dependently reducing the expression of IL-12 subunit IL-12p35 and TNF. It also restores intestinal barrier function and alleviates intestinal inflammation in various experimental colitis models. ISM012-042 is useful for studying intestinal mucosal repair and immune disorders.</p>

<p>L-Lysine, sulfite (2:1) is a drug/ therapeutic agent.</p>

<p>2-Hydroxy atorvastatin lactone, a metabolite of Atorvastatin, is an orally active HMG-CoA reductase inhibitor that efficiently reduces blood lipids [1][2].</p>

<p>4-Hydroxy Atorvastatin calcium salt is metabolised by cytochrome P450 CYP3A4 and has antimicrobial and anti-microbial activity.</p>

<p>α-Glucosidase-IN-83 (compound I-1) is a potent inhibitor of α-glucosidase, demonstrating an IC50 of 1.49 μg/mL. This compound effectively reduces blood glucose levels in vivo.</p>

<p>Olmesartan ethyl ester is an impurity of Olmesartan (RNH-6270), an AT1R antagonist for high blood pressure research.</p>

<p>Matlystatin A is an inhibitor of aminopeptidase. It shows multiple inhibitory activities against both aminopeptidase N and matrix metalloproteinases.</p>

<p>Pyrrophenone selectively and reversibly inhibits cPLA2 (IC50=4.2 nM), blocks AA, PGE2, and LTC4 production in cells, and is less effective on other PLA2s.</p>

<p>DSPE-PEG2000-TAASGVRSMH is a PEG compound composed of DSPE and TAASGVRSMH. This compound exhibits strong affinity for the NG2 proteoglycan on PC membranes. DSPE-PEG2000-TAASGVRSMH can be utilized for drug delivery.</p>

<p>α-Glucosidase-IN-79 (Compound 4d9) is a non-competitive α-glucosidase inhibitor with an IC50 of 2.11 μM, demonstrating greater inhibitory potency than the existing α-glucosidase inhibitors Acarbose (IC50 of 327.0 μM) and HXH8r (IC50 of 15.32 μM). It exhibits no cytotoxicity on normal human liver cells (LO2) and shows good metabolic stability in rat plasma. α-Glucosidase-IN-79 holds promise for research in type 2 diabetes.</p>

<p>DSPE-PEG: a phospholipid-polymer for stable, efficient drug delivery with longer circulation.</p>

<p>MAGL-IN-21 (Compound (S)-6) is a selective inhibitor of monoacylglycerol lipase (MAGL) with an IC50 of 1.59 nM.</p>

<p>Archangelicin is a useful organic compound for research related to life sciences. The catalog number is T125179 and the CAS number is 2607-56-9.</p>

<p>FP-biotin: organophosphorus toxicant for biomarker discovery, targets FAAH, ABHD6, MAG-lipase in plasma via avidin-bead purification.</p>

<p>DKI5, a LOX-1 inhibitor with 22.5 μM IC50, may exhibit anti-inflammatory, antioxidant, and anti-lipid peroxidation effects in vitro.</p>

<p>Eflucimibe (L0081), an ACAT inhibitor, treats cardiovascular, endocrine, and metabolic diseases, and helps in atherosclerosis and hyperlipidemia research.</p>

<p>Calcium Channel antagonist 2 is a calcium channel antagonist (IC50=5-20 μM) that can be used to study diseases due to Ca2+ channels like pain and diabetes.</p>