Metabolismo

MEY-003, an Autotaxin (ATX) inhibitor, exhibits EC50 values of 460 nM for hATX-β and 1.09 μM for hATX-ɣ (analysis with LPC18:1), demonstrating its potency

Norimatinib mesylate, N-Desmethyl imatinib metabolite, inhibits v-Abl, c-Kit, PDGFR.

Febuxostat n-butyl isomer is an impurity of Febuxostat. Febuxostat is selective xanthine oxidase inhibitor with a K i of 0.6 nM [1] .

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

<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>

MTHFD2-IN-4 sodium, a potent inhibitor of MTHFD2 and a tricyclic coumarin derivative, is applicable in cancer research [1].

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

Diorcinol is a natural product that can be used as a reference standard. The CAS number of Diorcinol is 20282-75-1.

<p>β-Tetralone (2-Tetralone) is a vital drug synthesis precursor with complex pharmacological properties in combating neurological disorders. Cost-effective and quality-assured.</p>

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

<p>Ellagic acid 4-O-β-D-xylopyranoside, an ellagitannin found naturally, exhibits antimicrobial properties and acts as an inhibitor of xanthine oxidase, displaying</p>

MTHFD2-IN-4, a tricyclic coumarin derivative, serves as a potent inhibitor of MTHFD2 and has applications in cancer research [1].

Carbolactone is a biologically active metabolite from fungi [1] .

Adenosine 5'-succinate, similar to AMP, inhibits taste receptors activated by Denatonium.

Diadenosine pentaphosphate pentasodium, an endogenous purine from platelets and various cells, has vasoactive properties.

Malate dehydrogenase catalyzes the mutual conversion of oxaloacetate and malate, and is associated with the oxidation/reduction of dinucleotide coenzymes [1] .

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

Fungal-derived paraherquamide E kills C. elegans and O. fasciatus, reduces T. colubriformis eggs in gerbils.

Octocog alfa, a second-generation, full-length recombinant antihemophilic factor VIII (AHF), is utilized for the treatment of Hemophilia A [1].

ACAT-IN-9, derived from EP1236468A1 (example 207), is an ACAT inhibitor that suppresses NF-κB transcription.

<p>O-Desisobutyl-O-n-propyl Febuxostat, an xanthine oxidase inhibitor.</p>

MK-8262: oral CETP inhibitor, potent (IC50 = 53 nM, log D = 5.3), may impact HDL/LDL and CHD research.

Caffeoylcalleryanin demonstrated potent inhibitory activity against 15-lipoxygenase (15-LOX), with an IC50 value of 1.59 μM. Furthermore, ethanol extract from A. pulchra leaves (EEAPL) was found to contain compounds exhibiting antiviral properties, particularly effective against Dengue virus type 2 (DENV-2). Among these compounds, Caffeoylcalleryanin emerged as the most potent anti-DENV-2 agent, achieving a selectivity index (SI) of 20.0.

<p>H-Gly-Pro-Gly-NH2, a tripeptide, inhibits HIV-1 and HIV-2 replication (EC50: 35µM, 30µM) by blocking capsid formation.</p>

<p>Teprotide is an angiotensin-converting enzyme (ACE) inhibitor used to study hypertensive [1].</p>

<p>Dansylphenylalanine is a typical fluorescent analyte.</p>

<p>DPP-4-IN-11 (compound 10) is an orally active DPP-4 inhibitor (IC50=2.75 μM) with anti-type 2 diabetes activity. This compound exerts its hypoglycemic effects by inhibiting the activity of α-glucosidase (IC50=3.02 μM) and α-amylase (IC50=3.3 μM).</p>

<p>Defensin HNP-2 is a naturally occurring antibiotic and monocyte chemotactic peptide synthesized by human neutrophils.</p>

<p>PKCζ/ι pseudosubstrate inhibitor demonstrates comprehensive inhibitory activity across the protein kinase C (PKC) family and is associated with the induction of</p>

PROTAC CYP1B1 degrader-2 (compound PV2), a VHL (von Hippel - Landau) E3 ligase-based degrader of CYP1B1, exhibits a DC50 of 1.0 nM after 24 hours in A549/Taxol cells. Furthermore, it effectively inhibits the growth, migration, and invasion of A549/Taxol cells.

Casein kinase 1δ-IN-15, an inhibitor for casein kinase 1 (CK1δ), exhibits an IC50 of 0.045 μM [1].

<p>Methoxycarbonyl-D-Nle-Gly-Arg-pNA is a synthetic trypsin substrate utilized for coagulation factors IXa (FIXa) and Xa (FXa), as evidenced by studies [1] [2] [3</p>

<p>Cyclosporin A-Derivative 3 is a derivative of Cyclosporin A with calcineurin inhibition [1] .</p>

<p>'13C-enriched C16 Sphingomyelin is a standard for quantifying C16 sphingomyelin by MS. Common in eggs; less in brain/milk; interacts with cholesterol.'</p>

α-Glucosidase-IN-87 (Compound 11c) is an orally active inhibitor of α-glucosidase with an IC50 of 119.7 μM. It exhibits hypoglycemic properties and is applicable in research on metabolic diseases such as diabetes.

<p>H-Pro-Phe-OH is a dipeptide formed from proline and phenylalanine, serving as a substrate for prolylase and in peptide synthesis.</p>

<p>IETP2 targets low-density lipoprotein receptor-related protein 1 (LRP1) with a KD of 738 nM, making it useful for delivering drugs and imaging agents across the blood-labyrinth barrier (BLB).</p>

<p>CooP is a nonapeptide targeting glioblastoma. It binds to FABP3 for chemotherapy delivery.</p>

<p>H-Ile-Pro-Pro-OH HCl, milk peptide, blocks ACE with 5 μM IC50. Antihypertensive.</p>

<p>FABP4-IN-4 (Compound 30) is an orally effective inhibitor of FABP, with an IC50 value of 1.18 μM against FABP1. In a mouse model of diet-induced obesity, FABP4-IN-4 improves glucose tolerance, reduces levels of blood sugar, lipids, and liver inflammation markers, alleviates hepatic steatosis, and exhibits anti-inflammatory activity.</p>

α-Amylase-IN-11 (compound C5f) is an α-amylase inhibitor with an IC50 of 0.56 μM, effective in reducing glucose levels in vivo. Additionally, it exhibits moderate inhibitory activity against α-glucosidase with an IC50 of 11.03 μM. In mouse models, α-Amylase-IN-11 significantly decreases glucose concentrations, indicating its potential for diabetes research.

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

<p>BTT-266 is a blocker of voltage-gated calcium channel for pain management.</p>

<p>Nap-FF is a cell-penetrating dipeptide used in the preparation of hydrogel chemical sensors and for research in targeted drug delivery.</p>

<p>HLF1-11: human lactoferrin peptide, antimicrobial, inhibits MPO, steers monocytes to macrophages, boosts immunity.</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>5-NH2-Baicalein, an aminated metabolite of Baicalein, can be utilized for researching ammonia and ammonia-associated chronic diseases [1].</p>

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

<p>Methionylserine (H-MET-SER-OH), a dipeptide, binds hPEPT1 (Km 0.2 mM), inhibits ACE, used in hypertension research.</p>

<p>Tianeptine metabolite MC5, an active derivative of the atypical antidepressant tianeptine produced through β-oxidation, exhibits selective G protein activation</p>

<p>Glycyllysine is a dipeptide. It can be used to study the interactions of the lysine side chain with copper in Glycyl-L-lysine-copper(II) complex.</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.

3-Oxocholic acid(3-Ketocholic acid) is the metabolite of bile acid and the main product of bile degradation by Clostridium perfringens in the intestine.3-

NDH-1 inhibitor-1 is an effective NDH-1 inhibitor, which can inhibit bovine SMP (mitochondrial granules), potato SMP and Escherichia coli, with pI50 values of <

<p>Zabicipril HCl（S 9650） is a potent angiotensin-converting enzyme inhibitor.</p>

KT-362 is a calcium channel blocker with antihypertensive properties that can be used in the study of cardiovascular disease.

<p>11β-HSD1 inibitor 17 is an inhibitor of 11β-hydroxysteroid dehydrogenase (11β-HSD1).</p>

Dimethylaminomicheliolide HCl has potential anti-inflammatory and anti-tumor activity and inhibits the proliferation of glioblastoma cells by targeting pyruvate

<p>PKM2 inhibitor G is a inhibitor of pyruvate kinase.</p>

Nicotinic Acid Adenine Dinucleotide is a precursor of NAD (Nicotinamide adenine dinucleotide) and a substrate for glutamine-dependent NAD+ synthase

Octanoyl Coenzyme A (sodium salt) inhibits citrate synthase and glutamate dehydrogenase with an IC50 of 0.4–1.6 mM.

<p>D-3, a phosphorpeptide, is an efficient, simple, and specific iPSC-eliminating agent.</p>

GSK-3β/CK-1δ-IN-1 (8d) is a dual inhibitor of GSK-3β and CK-1δ that can cross the blood-brain barrier, with IC50 values of 0.77 μM and 0.57 μM, respectively. GSK-3β/CK-1δ-IN-1 (8d) is applicable in neuroblastoma research.

PKM2-IN-10 is a PKM2 inhibitor. It effectively suppresses the proliferation of A549 and HCC1833 cell lines with IC50 values of 3.36 μM and 9.20 μM, respectively. PKM2-IN-10 demonstrates antitumor activity in human non-small cell lung cancer (NSCLC) and mouse lung adenocarcinoma models. It is applicable for research in lung cancer.

Lysylcysteine (L-Lysyl-L-cysteine)TFA is a dipeptide composed of lysine and cysteine.

<p>2,7"-Phloroglucinol-6,6'-bieckol serves as an effective oral dual α-amylase/α-glucosidase inhibitor, demonstrating IC 50 concentrations of 6.94 μM and 23.35 μM, respectively. This compound is beneficial in mitigating postprandial hyperglycemia among diabetic mice and is applicable in diabetes research [1].</p>

<p>IDO1/TDO-IN-8 (Compound CZ-17) is a dual IDO1 and TDO inhibitor capable of crossing the blood-brain barrier, with EC50 values of 0.33 μM and 1.78 μM, respectively. It modulates the kynurenine pathway of tryptophan metabolism, reducing the kynurenine/tryptophan ratio. IDO1/TDO-IN-8 has neuroprotective effects, alleviating motor dysfunction and improving depressive behavior, making it relevant for research into Parkinson's disease with comorbid depression.</p>

<p>CK2 Substrate Peptide, C-terminus linked to EDANS, used for CK2 activity assays.</p>

hCES2A-IN-2 (compound 14n) is an orally active, highly specific, irreversible, covalent inhibitor of hCES2A with an IC50 of 0.04 nM. It targets and covalently binds to the catalytic serine residue (Ser-228) of hCES2A. hCES2A-IN-2 can significantly mitigate irinotecan-induced gastrointestinal toxicity (ITGT) without diminishing the antitumor efficacy of irinotecan in tumor-bearing mice.

<p>BE2647 is a selective inhibitor of the mitochondrial pyruvate carrier (MPC), with an EC50 of 70 nM. It exhibits good metabolic stability in mouse liver microsomes. BE2647 can be utilized in research related to metabolic diseases, metabolic-associated steatotic liver disease (MASLD), or metabolic-associated steatohepatitis (MASH).</p>

<p>α-Glucosidase-IN-82 (compound 8l) is a potent inhibitor of α-glucosidase, with an IC50 value of 13.66 μM. Its inhibitory activity is 52 times greater than that of Acarbose.</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>α-Glucosidase-IN-78 (Compound 12m) is a reversible competitive inhibitor of α-glucosidase (α-glucosidase) with an IC50 of 6.0 μM. Due to its blood sugar-lowering properties, α-Glucosidase-IN-78 is applicable in diabetes research.</p>

DNP-INT, a quinone analog, blocks plant electron transport; it binds cytochrome b6f's Qo, halting plastoquinol oxidation (Kd 1.4 nM).

3-O-methyl-L-DOPA, a L-DOPA metabolite from catechol O-methyltransferase, may impact or compete with L-DOPA.

(±)11-HETE is one of the six monohydroxy fatty acids produced by the non-enzymatic oxidation of arachidonic acid .

<p>LDHA-IN-8, an inhibitor, inhibits the proliferation of pancreatic and lung cancer cells, decreasing the intracellular lactate content and increasing ROS levels.</p>

Butenachlor is a pesticide, specifically a selective, soil-applied herbicide used for control of grass and some broad-leaved weeds.

JTV-519 Formate is a Ca2+-dependent blocker of sarcoplasmic reticulum Ca2+-stimulated ATPase (SERCA).

Impurity C of Calcitriol is an impurity of Calcitriol.Impurity C of Calcitriol is used in the synthesis of vitamin D3.

<p>Melittin Acetate, a PLA2 activator, enhances low-weight PLA2 activity but not high-weight PLA2.</p>

α-Cyclopentyl-4-(2-quinolinylmethoxy)benzeneacetic acid was identified as possible dual inhibitors for hLTA4H and hLTC4S enzymes by the computer-aided

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

Sirtuin modulator 2 (N-(3-(imidazo[2,1-b]thiazol-6-yl)phenyl)-2-methoxybenzamide) exhibits antidiabetic, anti-inflammatory and antitumor activities.

Nε,Nε,Nε-Trimethyllysine chloride (Lys(Me)3-OH Chloride) is a methylated derivative of the amino acid lysine and a component of histone proteins.

3-chloro-4-sulfonyl-Benzonitrile inhibits hHSD1/mHSD1, IC50: 16nM/10nM.

Acivicin (AT-125) is a chlorinated amino acid antibiotic produced by Streptomyces porcineus, a GGT inhibitor with anticancer and antiparasitic activity.

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

Erucic acid sodium, a monounsaturated fatty acid (MUFA) extracted from the seeds of rapeseed, readily crosses the blood-brain barrier (BBB). It normalizes the accumulation of long-chain fatty acids in the brain, enhances cognitive function, and effectively prevents dementia.

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

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

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

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.

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>21-Deoxy Cortisone (21-Desoxycortisone; NSC 38722) is a corticosteroid metabolite of 11-ketoprogesterone. It is generated from 11-ketoprogesterone by the cytochrome P450 (CYP) isoform CYP17A1, and can also be produced by oxidation via 11β-hydroxysteroid dehydrogenase type 2 (11β-HSD2) from 21-deoxycorticosterone. In patients with congenital adrenal hyperplasia, a metabolic disorder characterized by a deficiency of 21-hydroxylase, levels of 21-Deoxy Cortisone are elevated.</p>

ZG-2305 is an effective, selective, and orally active inhibitor of FIH (factor inhibiting hypoxia-inducible factor (FIH)), with Ki values of 79.6 nM for FIH and 2786 nM for PHD2. This compound enhances the expression of the EGLN3 gene, reduces cellular triglyceride levels, and decreases lipid accumulation. ZG-2305 holds potential for research into obesity and fatty liver disease.

IR-117-17 is an ionizable cationic amino lipid that targets the airways. It is degradable via esterase cleavage, making it less likely to accumulate with repeated dosing.

Compound 6T, designated as Carbonic anhydrase inhibitor26, acts as an inhibitor of Carbonic Anhydrase II (Carbonic AnhydraseII), exhibiting an IC50 value of 9.10 ± 0.26 μM.

<p>RMC-4630 (SHP2-IN-7) is an inhibitor of SHP2.</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>Pregnenolone Carbonitrile (5-Pregnen-3β-ol-20-one-16α-carbonitrile) is an activator of rodent-PXR and induces the expression of CYP3A.</p>

Bendroflumethiazide (Naturetin) is a thiazide diuretic with actions and uses similar to those of HYDROCHLOROTHIAZIDE. It has been used in the treatment of familial hyperkalemia, hypertension, edema, and urinary tract disorders. (From Martindale, The Extra Pharmacopoeia, 30th ed, p810)

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

<p>A unique collection of xnum endogenous metabolism-related compounds for research in endogenous metabolism-related diseases and drug screening.</p>

Lactosylsphingosine (d18:1) is a sphingolipid with a lactose moiety that can inhibit fMetLeuPhe-induced cell aggregation at a concentration of 1 μm.