Metabolism

<p>DSPE-PEG5000-WYRGRL is a PEG compound composed of DSPE and a cartilage-targeting peptide (WYRGRL). The WYRGRL peptide targets type II collagen and can bind to type II collagen α1. DSPE-PEG5000-WYRGRL is applicable for drug delivery.</p>

<p>Kouitchenside G, a natural compound extracted from Swertia kouitchensis, demonstrates inhibitory activity against α-Glucosidase, showcasing an IC 50 value of</p>

<p>Poly(4-vinylphenol) is an endogenous metabolite.</p>

<p>N-(2-hydroxyethyl)-oxamic acid stems from Metronidazole reduction, occurring chemically or via gut bacteria; it's an effective antibiotic.</p>

<p>Micafungin metabolite M1 is an active metabolite of Micafungin, generated through metabolism by arylsulfatase, and exhibits antifungal activity. It can be utilized in research on deep fungal infections caused by Candida species (Candidiasis) and Aspergillus species (Aspergillosis).</p>

<p>Sulfatide derivative inhibits cell migration, adhesion, PKC, cytochrome c; accumulates in metachromatic leukodystrophy; used for LC-MS quantification.</p>

<p>Dihydrozeatin riboside is a cytokinin that can be isolated from Phaseolus vulgaris L.</p>

<p>Ilaprazole sulfone, main Ilaprazole metabolite, formed mostly by CYP3A4/5, is an oral proton pump inhibitor.</p>

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

<p>IP3RPEP6 serves as a competitive inhibitor of IP3R. Its IC50 values for IP3R1, IP3R2, and IP3R3 are 9.0 μM, 3.9 μM, and 4.3 μM, respectively. This compound does not affect ryanodine receptors and Cx43 hemichannels, and it is capable of modulating intracellular calcium signaling.</p>

<p>hDHODH-IN-13 (compound w2), an inhibitor of human dihydroorotate dehydrogenase (hDHODH), exhibits an IC50 of 173.4 nM and has potential research applications in</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>5-Aminolevulinic acid: heme synthesis intermediate, photosensitizer, antineoplastic, prodrug, treats actinic keratosis with blue light.</p>

<p>Rubrofusarin 6-O-β-D-glucopyranoside, a glycosidic derivative of Rubrofusarin, functions as an inhibitor of protein tyrosine phosphatase 1B (PTP1B) with an IC50</p>

<p>Asperlactone is a nematicidal, insecticidal, antibacterial, and antifungal polyketide metabolite produced from A. westerdijkiae.</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>PR280 is a potent inhibitor of dihydroceramide desaturase 1 (Des1) with an IC50 of 700 nM. It forms hydrogen bonds with amino acid residues of Des1, while its cyclopropenone group may coordinate with the iron center, stabilizing its binding at Des1's active site. This inhibits the ceramide biosynthesis pathway, preventing dihydroceramide (dhCer) from converting into ceramide. PR280 can be used in research related to sphingolipid metabolism disorders, including cancer and metabolic diseases.</p>

<p>α-Glucosidase-IN-23 is an orally active α-Glucosidase inhibitor. α-Glucosidase-IN-23 can decrease blood glucose by α-glucosidase inhibition (IC50= 4.48 μM).</p>

<p>Adriamycin Aglycone, also known as Doxorubicinone, is an oncolytic agent. It is a metabolite of Doxorubicin which binds to the DNA minor-groove.</p>

<p>O-Desmethyl apixaban sulfate sodium inhibits factor X (FXa) with a Ki of 58 μM,and is a major circulating metabolite of Apixaban in humans.</p>

<p>CH3OCO-D-CHA-Gly-Arg-pNA acetate serves as a chromogenic substrate for Factor Xa, as documented in sources [1] [2].</p>

<p>CHEMBL1276927 (N-(3-(1H-benzo[d]imidazol-2-yl)phenyl)-3-methylbenzamide) shows antibacterial and antiparasitic activities against Chlamydia pneumoniae and</p>

<p>TAK-778, a derivative of ipriflavone, demonstrates the ability to stimulate bone growth in both in vitro and in vivo models.</p>

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

<p>hBChE-IN-3 (compound 30) serves as both an activator of carbonic anhydrase (CA) and an inhibitor of cholinesterase (ChE), exhibiting IC50 values of 7.4 nM for AchE and 1.9 nM for BchE. This compound is utilized in the research of neurodegenerative and psychiatric disorders.</p>

<p>SCD1 inhibitor-3 (ML-270) is a highly effective and orally available compound that inhibits SCD1 with remarkable safety.</p>

<p>N-Acetyl lysyltyrosylcysteine amide acetate is an effective and selective tripeptide inhibitor of myeloperoxidase (MPO).</p>

<p>Anirolac is a nonsteroidal anti-inflammatory agent.</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>Febuxostat dicarboxylic acid impurity is an impurity of Febuxostat. Febuxostat is selective xanthine oxidase inhibitor with a K i of 0.6 nM [1] .</p>

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

<p>TMP-778 is a selective inverse agonist of RORγt.</p>

<p>RORγ inverse agonist 1 has anti-inflammatory activity and can be used to treat rheumatism and psoriasis.</p>

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

<p>CESs are enzymes in mammalian liver hydrolyzing esters and other substrates in biochemical studies.</p>

<p>PmST3 is a beta-galactoside enzyme adding sialic acid to glycoproteins and glycolipids.</p>

N-Acetyl-Ser-Asp-Lys-Pro (TFA), a bone marrow tetrapeptide, is a specific ACE substrate for angiotensin conversion.

<p>KKII5 is a potent inhibitor of the lipoxygenase LOX-1 with an IC50 of 19 μM.KKII5 inhibits lipid peroxidation and enhances the ability of the active centers of</p>

<p>(±)-Equol 4’-sulfate is a gut-mediated phase II metabolite of the isoflavonoid phytoestrogen (±)-equol .[1] It has been used as a standard for the</p>

<p>Rostratin C, a cytotoxic disulfide, exhibits in vitro cytotoxicity against human colon carcinoma (HCT-116), demonstrating an IC50 value of 0.76 μg/mL.</p>

<p>Hydroxy bosentan (Ro 48-5033), a Bosentan metabolite, is liver-processed with 10-20% of its activity.</p>

<p>LysoFos Glycerol 14 is a useful organic compound for research related to life sciences. The catalog number is TF0117 and the CAS number is 326495-21-0.</p>

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

<p>DSPE-PEG1000-R8 is a PEG compound composed of DSPE and the cell-penetrating peptide (R8). It is applicable for drug delivery.</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>DKI5, a LOX-1 inhibitor with 22.5 μM IC50, may exhibit anti-inflammatory, antioxidant, and anti-lipid peroxidation effects in vitro.</p>

<p>6α-hydroxy Paclitaxel (6α-OH-PTX) is a major metabolite of the anticancer compound paclitaxel and is partially cytotoxic.</p>

<p>Cyano-myracrylamide is an inhibitor of zinc finger DHHC domain-containing palmitoyltransferase 20 (zDHHC20) with an IC50 value of 1.35 µM. It also inhibits the S-palmitoylation of EGFR and CD36. In HEK293T cells expressing recombinant E. coli GobX, recombinant human MyD88, or endogenous Ras, Cyano-myracrylamide inhibits the S-palmitoylation of E. coli E3 ligase GobX, MyD88, and Ras, which are substrates of zDHHC20, zDHHC9, and zDHHC6.</p>

<p>TDI-11055 is a chromatin reader 11-19 leukemia inhibitor and can be used to study acute myeloid leukemia (AML).</p>

<p>Eflucimibe (L0081), an ACAT inhibitor, treats cardiovascular, endocrine, and metabolic diseases, and helps in atherosclerosis and hyperlipidemia research.</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>Microginin 527, a compound found in Microcystis, is an inhibitor of protein phosphatase, ACE, and leucine aminopeptidase.</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>DPPD-Q, an antioxidant and an oxidative derivative of substituted p-phenylenediamine (DPPD), is identified in tire wear particles, rubber debris, particulate matter 2.5 (PM2.5), and wastewater influents and effluents. At a concentration of 5 µM, DPPD-Q inhibits soybean urease by 91.4%.</p>

<p>CYP4A11/CYP4F2-IN-2: Potent oral inhibitor of CYP4A11 &amp; CYP4F2 (IC50: 140 &amp; 40 nM), potential kidney disease treatment.</p>

<p>Coformycin is a ribonucleoside antibiotic synergist and adenosine deaminase inhibitor.</p>

<p>Selective inhibitor of Ca2+-calmodulin-dependent protein phosphatase (calcineurin) (IC50 ~ 10 μM). Does not inhibit PP1, PP2A or CaM kinase II (IC50 &gt; 100 mM).</p>

<p>Hydroxypyruvic acid lithium hydrate is a metabolic intermediate for serine, glycine, threonine, and a substrate for specific aminotransferases.</p>

<p>Anticanceragent 260 (Compound 3g/4d) is an orally effective anticancer agent that inhibits the proliferation of cancer cells HCT-116, MIA-PaCa2, and MDA-MB231, with IC50 values of 98.7, 81.0, and 77.2 µg/mL, respectively. It also promotes ulcer formation and lipid peroxidation, and exhibits anti-inflammatory and analgesic activities.</p>

<p>b-Cortolone, a metabolite of Cortisol, exhibits relatively lower biological activity.</p>

<p>Seco Rapamycin sodium salt is a ring-opened product of Rapamycin.</p>

<p>(-)-OPC-51803 is an antidiuretic hormone V2 receptor agonist used in the treatment of nocturia and urinary incontinence.</p>

<p>Vitamin K1 2,3-epoxide (Phylloquinone oxide) is reduced to vitamin k and is involved in the vitamin k cycle.</p>

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

<p>Adenosine 3',5'-diphosphate sodium inhibits hydroxysteroid sulfotransferases and studies SULT kinetics/structure.</p>

<p>Calcium Channel antagonist5 (compound 32) is a calcium channel antagonist with a pIC50 of 5.50.</p>

<p>Oxodipine blocks rabbit aortic contraction and weakens rat cardiac force; reduces Ca currents in myocytes; side effects: mouse constipation, dog gum swelling.</p>

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

<p>LYP-IN-3 (compound D34) is a selective Lymphoid-tyrosine phosphatase (LYP) inhibitor (Ki=0.93 μM) that modulates the T-cell receptor (TCR) signaling pathway</p>

<p>2'',3''-Di-O-acetyl-5''-deoxy-5-fuluro-D-cytidine is a derivative of capecitabine.</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>Phenacaine, also known as Holocaine, is a local anesthetic that blocks certain Ca 2+ enzymes in red blood cells, brain, and heart.</p>

<p>Glutamic protease, a proteolytic enzyme characterized by the presence of a glutamic acid residue [1], is exclusive to fungi.</p>

<p>L-Isoleucyl-L-arginine, a dipeptide composed of L-isoleucine and L-arginine, acts as a potent angiotensin-converting enzyme (ACE) inhibitor and is utilized in</p>

<p>PTPσ Inhibitor ISP is a compound that binds to recombinant human PTPs, thereby inhibiting PTPσ signaling.</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>CAIX/CAXII-IN-4 (Compound 7h) is an inhibitor of carbonic anhydrase (CA) that binds to CAIX, CA XII, and CAII with Ki values of 1.324 μM, 0.435 μM, and 3.035 μM, respectively. This compound exhibits broad-spectrum anti-tumor activity and inhibits the proliferation of central nervous system tumor cells U251, with a GI50 of 0.361 μM.</p>

<p>Systemin is an 18-amino acid polypeptide with the sequence AVQSKPPSKRDPPKMQTD that is found in Solanaceae plants (such as tomato and potato).</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>RMC-3943 is a potent SHP2 allosteric inhibitor with an IC50 of 2.19 nM.</p>

<p>O-Demethyl Lenvatinib, a Lenvatinib metabolite, is an oral TKI targeting VEGFR, FGFR, PDGFR, KIT &amp; RET with potent antitumor effects.</p>

<p>Renierol is a natural xanthine oxidase inhibitor with hypouricemic effects isolated from marine sponge Halicdona.SP.</p>

<p>Axl-IN-16 (Compound 4), an Axl inhibitor, not only suppresses Axl expression and HIF activity but also triggers fruiting body formation in Flammulina velutipes.</p>

<p>Compound 6C, a PROTAC degrader, targets CYP1B1 with IC50s (95.1 nM CYP1B1, 9838.6 nM CYP1A2) for prostate cancer research.</p>

<p>Prostaglandin F2β (PGF2β) is the 9β-hydroxy stereoisomer of PGF2α.</p>

<p>Cryptosporioptide A (Compound 3), a protein tyrosine phosphatase inhibitor, originates from the insect-parasitic fungus Cordyceps gracilioides.</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>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>ω-Conotoxin FVIA is an inhibitor of N-type Ca²⁺ channels (Caᵥ2.2), shown to alleviate mechanical and thermal pain abnormalities in a rat model of caudal nerve</p>

<p>Coenzyme A is an obligatory cofactor in all living cells synthesized from pantothenate (Vitamin B5), adenosine triphosphate (ATP), and cysteine.</p>

<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>

<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>Glucose 1-dehydrogenase, an enzyme, transforms glucose and NAD(P) into NAD(P)H and gluconic acid.</p>

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

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

<p>FPI-1523 sodium, avibactam derivative; β-lactamase inhibitor (Kd: CTX-M-15, 4nM; OXA-48, 34nM); PBP2 inhibitor (IC50, 3.2μM); strong antibacterial.</p>

<p>LysoFos Glycerol 16 is a useful organic compound for research related to life sciences. The catalog number is TF0118 and the CAS number is 326495-22-1.</p>

<p>Glycodeoxycholic acid monohydrate is a nuclear receptor ligand.</p>

<p>ADR-925 has the ability to protect neonatal rat cardiomyocytes from doxorubicin-induced injury.Cost-effective and quality-assured.</p>