Metabolism

<p>Imipramine Blue chloride is an effective anti-invasive agent capable of inhibiting glioma invasion. It suppresses the production of reactive oxygen species (reactive oxygen species) mediated by NADPH oxidase.</p>

<p>α-Amylase/α-Glucosidase-IN-7 (Compound 3f) serves as a competitive inhibitor for the enzymes α-glucosidase and α-amylase, exhibiting IC50 values of 18.52 µM and 20.25 µM, respectively. Additionally, it effectively inhibits AChE and BChE, with IC50 values of 9.25 µM and 10.06 µM, respectively. This compound is useful in research related to diabetes and Alzheimer's [1].</p>

<p>7PPD-Q is a substituted p-phenylenediamine antioxidant derivative. It exhibits toxicity towards the bacterium V. fischeri (EC50= 14.9 mg/L).</p>

<p>α-Glucosidase-IN-12 is a potent inhibitor of α-glucosidase (IC50: 10.20 μM).</p>

<p>PPI-2458, a fumagillin derivative, irreversibly blocks MetAP2, hindering abnormal cell growth and angiogenesis with improved toxicity.</p>

<p>CYP11B1-IN-2 selectively inhibits human and rat CYP11B1 (IC50: 9/25 nM) orally to research cortisol-related diseases.</p>

<p>Emopamil, a calcium channel inhibitor, reduces neuronal damage caused by ischemia.</p>

<p>KY-455 is a novel acyl-CoA: cholesterol acyltransferase (ACAT) inhibitor. It demonstrates inhibition of ACAT in rabbit intestines, liver, macrophages, and adrenal glands with IC50 values of 0.4, 0.9, 2.9, and 4.1 μmol/L, respectively.</p>

<p>7-Hydroxychlorpromazine, an active metabolite of Chlorpromazine, can reversibly counteract the suppression of regionally dense dopaminergic neurons induced by Amphetamine.</p>

<p>GC-IN-2 (Compound 25) is an effective and selective non-sugar-based glucocerebrosidase inhibitor with an IC50 value of 6.46 μM. It is utilized in research related to Gaucher's disease.</p>

<p>2R,4S-Sacubitril (Sacubitril Enantiomer) is the impurity of Sacubitril which is a neprilysin inhibitor.</p>

<p>Carbonic anhydrase inhibitor 9 targets hCA II and IX with Ki of 56.4 and 56.9 nM respectively; shows antiproliferative activity.</p>

<p>MRS4458 is an effective inhibitor of the P2Y14 Receptor.</p>

<p>α-Glucosidase-IN-15 (Compound 14B) exhibits potent inhibitory activity against α-glucosidase, with an IC50 value of 3.34 μM.</p>

<p>PDE4-IN-6: Potent PDE4 inhibitor, IC50 - 0.125μM (B), 0.43μM (D), anti-inflammatory, for arthritis research.</p>

<p>8-Hydroxychlorpromazine is a metabolite of Chlorpromazine that can enhance the hyperglycemic response following glucose loading, suggesting a possible synergistic role in Chlorpromazine-induced glucose metabolism disorders. It holds potential for research into metabolic diseases.</p>

<p>PDE4-IN-12 is a potent and safe PDE4 ubiquitous inhibitor that acts on PDE4 (IC50: 3.5 nM, SI: 2.71) and PDE7 (IC50: 15 nM, SI: 4.27).</p>

<p>Enpp-1-IN-11 inhibits ENPP1 with a 45 nM Ki, is plasma stable, and has low clearance in human/mouse livers, potentially aiding cancer research.</p>

<p>DLCI-1 is a potent and selective oral inhibitor of cytochrome P450 2A6 (CYP2A6), significantly reducing self-administered nicotine doses in both male and female mice.</p>

<p>5-HT1A antagonist; Ki=8nM, Kb=0.04nM. PDE4B IC50=80.4μM; PDE7A IC50=151.3μM. Good biofilm penetration, stable, anticognitive, antidepressant.</p>

<p>TMX-4116 is a CK1α degrader targeting multiple cell lines with DC50s below 200 nM, used in multiple myeloma research and protein degradation strategy studies.</p>

<p>LXRα agonist 1 (Compound 40) is a selective activator of LXRα, with an EC50 of 42 nM, and also demonstrates some activation effects on LXRβ, with an EC50 of 266 nM. It promotes target gene transcription by stabilizing the ligand-binding domain (LBD) of LXRα. When combined with the Raf inhibitor Sorafenib, LXRα agonist 1 shows significant antitumor activity in liver cancer cells. This compound is applicable in research focused on lipotoxicity-related cancers.</p>

<p>Potent hCA inhibitor: targets hCA II, IX &amp; XII with IC50s of 42.9, 47.6, &amp; 6.7 nM respectively.</p>

<p>3-Ferrocenylpropionic anhydride is extensively used in compound synthesis, serving as an intermediary for producing various bioactive compounds. Additionally, by modulating specific enzyme activities, 3-Ferrocenylpropionic anhydride has demonstrated potential anti-tumor properties.</p>

<p>LEQ803 (N-DesmethylRibociclib) is a metabolite of the CDK4/6 inhibitor Ribociclib, produced through metabolism by CYP3A4. This compound holds potential applications in the field of oncology.</p>

<p>IRX5010 (IRX4647F), an analogue of IRX4647, serves as a highly selective RARγ nuclear receptor agonist. It effectively inhibits the growth of EMT-6 triple-negative breast cancer.</p>

<p>7α,24(S)-Dihydroxycholesterol ((3β,7α,24S)-Cholest-5-ene-3,7,24-triol) acts as a ligand for liver X receptors (LXR), specifically binding to the ligand-binding domains of LXRα and LXRβ. This compound is synthesized through the E-α,β-unsaturated ketone process, starting with arsindole and J-secondary-butyl dimethylsiloxy-bis-positive-5-cholestenal as the initial materials. It undergoes a series of transformations to produce 7α,24(S)-dihydroxycholesterol.</p>

<p>1-Stearoyl-sn-glycerol 3-phosphate sodium, a biologically active phospholipid, plays a crucial role in regulating cell motility, proliferation, invasion, survival, and the production of growth factors through interactions with G protein-coupled receptors (GPCR). Synthesized during the formation of membrane phospholipids, this compound typically has a low plasma concentration (approximately 100nM) and originates from various cell types, including activated platelets, epithelial cells, leukocytes, neuronal cells, and tumor cells. Its distinctive structure features stearic acid at the sn-1 position and a hydroxyl group at the sn-2 position.</p>

<p>α-Glucosidase-IN-18 (7B) is an orally active inhibitor of α-glucosidase, displaying an IC 50 value of 3.96 μM.</p>

<p>Nampt activator-4, a positive allosteric modulator (N-PAM) of nicotinamide phosphoribosyltransferase (NAMPT), has an EC50 of 0.058 μM and can enhance nicotinamide adenine dinucleotide (NAD+) levels in cells [1].</p>

<p>D-2-Phosphoglyceric acid is a crucial metabolic intermediate known for its role in enhancing cellular energy metabolism and regulating biosynthesis. It plays a key role in both glycolysis and photosynthesis, which are essential for cellular energy supply. Additionally, D-2-Phosphoglyceric acid serves as a biomarker for monitoring metabolic states in various organisms.</p>

<p>Pyrocatechol sulfate, a phenolic metabolite found in human plasma, is associated with the intake of specific foods such as berries and the state of the gut microbiome. It serves as a potential urinary biomarker for kidney function, dialysis clearance rates, whole grain consumption, and regular coffee intake. Additionally, in conjunction with other phenolic sulfates, pyrocatechol sulfate plays a role in regulating various biological functions, including those related to brain health and the rhythmic beating of cardiac cells.</p>

<p>Rostratin A, a disulfide from Exserohilum rostratum, is cytotoxic to HCT-116 cells with an IC50 of 8.5 μg/mL.</p>

<p>PDE5-IN-8 (compound 2) is an inhibitor of PDEs.</p>

<p>AD012, a dual cACE/NEP inhibitor, leverages lenopril-tryptophan for potential anti-hypertensive and cardioprotective benefits.</p>

<p>JNJ-6204 is a deuterated compound that efficiently inhibits CSNK1D and CSNK1E.</p>

<p>CP-642931 (Sorbitol dehydrogenase-IN-1) is a sorbitol dehydrogenase inhibitor used in the study of diabetes mellitus and cardiovascular disease.</p>

<p>STK-15 is a candidate for use as a fatty acid binding protein 5 (FABP5) inhibitor.</p>

<p>JX237 is an SLC6A19 inhibitor, a transporter protein that neutralizes amino acid uptake by the liver, and can be used in the study of cardiovascular disease.</p>

<p>Glycosyltransferase-IN-1 is a glycosyltransferase inhibitor with bacteriostatic activity, inhibiting MSSA, MRSA, Bacillus subtilis, and Enterobacteriaceae.</p>

<p>BAY-3827 is an AMPK inhibitor with antiproliferative activity and antitumor activity. BAY-3827 inhibits the phosphorylation of acetyl CoA carboxylase 1.</p>

<p>WAY-213613 hydrochloride: potent, selective GLT-1/EAAT2 inhibitor (IC50 85 nM); weaker for EAAT1/3; inactive at glutamate receptors; research tool for CNS.</p>

<p>DRB18 inhibits GLUT proteins, altering glucose metabolism and inducing cancer cell death by G1/S arrest and oxidative stress.</p>

<p>Moiramide B is an acetyl coenzyme A carboxylase inhibitor with antimicrobial activity, strongly inhibiting Gram-positive bacteria.</p>

<p>MAO-B-IN-17 is a selective and potent monoamine oxidase B (MAO-B) inhibitor (IC50: 5.08 μM) for the study of central nervous system disorders like Parkinson's.</p>

<p>Etamicastat hydrochloride (BIA 5-453 hydrochloride) is a peripherally selective dopamine beta-hydroxylase inhibitor that reduces hypertension.</p>

<p>PREP inhibitor-1 is a prolyl oligopeptidase (PREP) inhibitor for the study of Alzheimer's disease.</p>

<p>Aleglitazar (R1439) (R1439) is a potent dual PPARα/γ agonist, with IC50s of 38 nM and 19 nM for human PPARa and PPARγ, respectively.</p>

<p>BMS453 (BMS-189453), a synthetic retinoid, is a potent and selective agonist of RARβ and a potent testicular toxin.</p>

<p>FABPs ligand 6 (MF6) is an inhibitor of FABP5 and FABP7.</p>

<p>ALOX15-IN-2: Potent ALOX15 inhibitor. IC50: 1.55 μM for LA; 2.79 μM for AA. Stops linoleic/arachidonic acid oxidation.</p>

<p>BE1218 is a liver X receptor (LXR) inverse agonist active on LXRα and LXRβ with an IC50 of 9 nM and 7 nM, respectively.</p>

<p>Obicetrapib (AMG-899) is an inhibitor of cholesteryl ester transfer protein.</p>

<p>Dual FAAH/sEH-IN-1 inhibits both sEH (IC50: 9.6 nM) and FAAH (IC50: 7 nM), offering potent anti-inflammatory effects.</p>

<p>Lapaquistat acetate (TAK-475) is a squalene synthase inhibitor that reduces the cytotoxicity induced by statins in human skeletal muscle cells.</p>

<p>DNMDP is a phosphodiesterase 3A inhibitor with clear cell-selective cytotoxicity. DNMDP binding to PDE3A promotes interaction between PDE3A and Schlafen 12.</p>

<p>MK-0941 is an orally active and allosteric glucokinase activator, has potential in the treatment of type 2 diabetes.</p>

<p>(S)-GNE-140 is the less active enantiomer of GNE-140.</p>

<p>PS10 is a broad-spectrum PDK inhibitor that inhibits PDK2 and significantly increases the activity of the pyruvate dehydrogenase complex.</p>

<p>4-Hydroxyacetophenone oxime is an impurity of Acetaminophen (Paracetamol), a potent COX-2 and hepatic NAT2 inhibitor used as an antipyretic and analgesic drug.</p>

<p>6-Hydroxybentazon is a phase I metabolite of bentazon, a herbicide.</p>

<p>BI-2545 is an autotaxin (ATX) inhibitor that significantly reduces LPA. For human ATX and rat ATX, the IC50s values are 2.2 nM and 3.4 nM , respectively.</p>

<p>TC-F 2 is a FAAH inhibitor.</p>

<p>Calcitriol Impurities A refers to the contaminants found in Calcitriol, the hormonally active metabolite of vitamin D3, which serves to activate the vitamin D receptor.</p>

<p>GNE-140 is a potent inhibitor of lactate dehydrogenase A (LDHA). GNE-140 is a racemate mixture of (R)-GNE-140 and (S)-GNE-140.</p>

<p>Modecainide is metabolite of Encainide, is an antiarrhythmic agent.</p>

<p>β-Apo-13-carotenone is a naturally occurring β-apocarotenoid, and is a RXRα antagonist.</p>

<p>N3PT is a potent and selective inhibitor of transketolase(TK) with IC50 of 22 nM for Apo-TK)</p>

<p>SMND-309, a metabolite of salvianolic acid B, exhibits neuroprotective effects in cultured neurons and in rats subjected to permanent middle cerebral artery occlusion.</p>

<p>PF-06747711 is an effective and selective retinoic acid receptor-related orphan C2 inverse agonist (IC50: 4.1 nM). PF-06747711 also has anti-skin inflammatory activity.</p>

<p>8-Dehydrocholesterol is a compound whose elevated concentration is a diagnostic biochemical hallmark of classical Smith-Lemli-Opitz syndrome.</p>

<p>MY33-3 is a powerful and specific inhibitor of receptor protein tyrosine phosphatase (RPTP)β/ζ, demonstrating an IC50 value of approximately 0.1 μM. Moreover, MY33-3 exhibits inhibitory activity against PTP-1B with an IC50 value of about 0.7 μM. Additionally, MY33-3 has been shown to effectively decrease ethanol consumption and alleviate neuroinflammation and cognitive dysfunction induced by Sevoflurane.</p>

<p>MRS2802 is a P2Y14 receptor agonist, its EC50 value for P2Y14 receptor is 63 nM.</p>

<p>RORγt Inverse agonist 10 is a highly potent, orally bioavailable compound that acts as an antagonist for the retinoic acid receptor-related orphan nuclear receptor gamma t (RORγt). With an IC50 of 51 nM, it effectively inhibits RORγt activity, a key transcription factor regulating genes linked to psoriasis pathogenesis, including [IL-17A], [IL-22], and [IL-23R].</p>

<p>CDE-096 is a plasminogenactivator inhibitor-1 (PAI-1) inactivator.</p>

<p>1-Oxo Ibuprofen is a useful organic compound for research related to life sciences. The catalog number is T41363 and the CAS number is 65813-55-0.</p>

<p>R-18986 is a biochemical substance.</p>

<p>Cefadroxil is a first generation aminocephalosporin with good patient compliance, a long-acting therapeutic effect, high solubility and relatively broad spectrum of anti-bacterial activity. Cefadroxil is also a substrate of the intestinal peptide transporter PepT1, which is primarily responsible for the drug's uptake across the apical membrane of small intestine.</p>

<p>Methyl 2-(benzylamino)-3-hydroxypropanoate, catalog number T66013 and CAS number 144001-42-3, is a valuable organic compound for life sciences research.</p>

<p>Neuraminic acid: acidic amino sugar, 9 carbon chain, from pyruvic acid + D-mannosamine, in active mucoproteins.</p>

<p>MB07803 is an orally available prodrug of an effective, noncompetitive inhibitor of fructose 1,6-bisphosphatase (FBPase) (EC50: 140 nM and t1/2 of 7.6±2.9 h).</p>

<p>Ibiglustat (Venglustat) succinate is an orally active, brain-penetrant inhibitor of glucosylceramide synthase (GCS) utilized in the investigation of Gaucher disease type 3, Parkinson's disease associated with GBA mutations, Fabry disease, GM2 gangliosidosis, and autosomal dominant polycystic kidney disease.</p>

<p>2-Methylcitric acid trisodium (Methylcitric acid) is an endogenous metabolite in the 2-methylcitric acid cycle, which accumulates in methylmalonic and propionic acidemias.</p>

<p>Vitamin D3 octanoate, an ester derived from vitamin D3, is commonly known as cholecalciferol. Cholecalciferol is a naturally occurring form of vitamin D with notable properties such as inducing cell differentiation and impeding cancer cell proliferation.</p>

<p>D21-2393 subjects received a single-oral-dose of edoxaban 30-90 mg in each study occasion under fasting condition. Serial blood samples were collected to measure the plasma concentrations of edoxaban and its major active metabolite D21-2393. Meanwhile, PT, INR, aPTT were measured pre- and post-dose.</p>

<p>TRC-766, a negative control of RTC-5 (TRC-382), is a compound that exhibits protein phosphatase 2A (PP2A) binding properties while lacking phosphatase activation capabilities.</p>

<p>5-FAM-Alkyne is a highly selective and sensitive fluorescent biosensor designed for detecting alkaline phosphatase (ALP).</p>

<p>LCC-12 formate (LCC-12 FA) inhibits copper(II) in mitochondria and NAD(H) and inhibits macrophage activation, affects inflammation, cellular plasticity.</p>

<p>Elamipretide TFA (RX-31 TFA) is a cardiolipin peroxidase inhibitor and mitochondria-targeting peptide[1].</p>

<p>Lysyl-tyrosyl-lysine is a bioactive chemical.</p>

<p>L-Glyceric acid sodium, a urinary metabolite, is predominantly found in individuals with the rare inherited metabolic disorder L-glyceric aciduria. This compound is a diagnostic tool for identifying primary hyperoxaluria type 2 (PH2) and distinguishing it from primary hyperoxaluria type 1 (PH1) based on its excretion pattern.</p>

<p>Hex is a potent inhibitor of enolase, exhibiting inhibitory activity with Ki values of 74.4 nM and 269.4 nM against ENO2 and ENO1, respectively.</p>

<p>GDP-D-mannose disodium is a natural product for research related to life sciences and the catalog number is T65209.</p>

<p>11β-HSD1-IN-8 is a useful organic compound for research related to life sciences. The catalog number is T65743 and the CAS number is 386704-15-0.</p>

<p>4-Phenyl-1H-1,2,3-triazole, an inhibitor of the enzyme IDO1 (IC50: 60 µM), is utilized in cancer research [1].</p>

<p>4-Nitrophenyl N-acetyl-β-D-galactosaminide is a useful organic compound for research related to life sciences. The catalog number is T67691 and the CAS number is 14948-96-0.</p>

<p>Creatinine-D3 is a deuterium-labeled Creatinine which is a break-down product of creatine phosphate in muscle.</p>

<p>(S)-3-Hydroxyisobutyric acid is an important interorgan metabolite.</p>

<p>4"-C18 EGCG is an effective inhibitor of α-amylase and α-glucosidase, with IC50 values of 3.74 μM and 0.81 μM respectively. It inhibits carbohydrate-hydrolyzing enzymes, reducing oxidative stress and inflammation, and demonstrates anti-diabetic activity. Additionally, 4"-C18 EGCG downregulates pro-inflammatory cytokines and exhibits cytotoxicity at 50 μM in primary human peripheral blood mononuclear cells (PBMC), and non-cancerous cell lines 3T3-L1 and HEK 293.</p>

<p>O-Allylvanillin, an O-allylchalcone derivative, exhibits anti-cancer properties by inhibiting the growth of THP-1, HL60, Hep-G2, and MCF-7 cells with IC50 values of 74.76 μM, 63.52 μM, 90.99 μM, and 90.11 μM, respectively [1].</p>

<p>Fmoc-1-methyl-L-histidine is a valuable organic compound for life sciences research (Catalog No.: T66680, CAS: 202920-22-7).</p>

<p>WAY-339495 may have anti-tumor, anti-inflammatory and analgesic activity and can be used to study obesity, cardiovascular disease, diabetes, neurodegenerative diseases, Alzheimer's disease and stroke.</p>

<p>Lichenase, an enzyme, breaks down β-glucans in grains into GOS, aiding polysaccharide degradation in cell walls.</p>

<p>Gamma-glutamylcysteine is a natural product for research related to life sciences. The catalog number is T38024 and the CAS number is 636-58-8.</p>

<p>(Rac)-PD0299685 is a potent voltage-dependent calcium channel inhibitor for the study of retina-related diseases.</p>

<p>Antibiotic K 4 is an inhibitor of angiotensin I converting enzyme produced by Actinomadura spiculosospora.</p>

<p>3-Hydroxy-4-aminopyridine is a natural product for research related to life sciences. The catalog number is T66009 and the CAS number is 52334-53-9.</p>

<p>FFPM is a novel PDE4 inhibitor (IC50: 6 nM) and good selectivity over other PDEs. The drug also penetrates the blood brain barrier well.</p>

<p>1,2-Dioleoyl-sn-glycero-3-phosphate, sodium salt (T64571) is a natural product utilized in life sciences research.</p>

<p>1-(2,3-Dichlorphenyl)-piperazine (DCPP) is a potent DHCR7 inhibitor. DHCR7 is the last enzyme in cholesterol biosynthesis.</p>

<p>BMS-963272 is a selective and potent MGAT2 inhibitor with an IC50 value of 7.1 nM used in the study of metabolic disorders and obesity.</p>

<p>LEO-32731 is a bioactive chemical.</p>

<p>CBD3063 is a CRMP2-based peptidomimetic small molecule that can regulate Cav 2.2 and can be used to study neurological diseases.</p>

<p>Beta-Cortol is a metabolite of androgen present in adults.</p>

<p>N1,N8-Diacetylspermidine hydrochloride is a polyamine found in human urine.</p>