Metabolism

<p>FTI-276 is an inhibitor of protein farnesyltransferase (PFT) (IC50s: 0.9 and 0.5 nM for Plasmodium falciparum and human).</p>

<p>TID43, a CK2 inhibitor, exhibits potent inhibition with an IC50 value of 0.3 μM. It is applicable in anti-angiogenic research [1].</p>

<p>cis-Clopidogrel-MP derivative, also Clopidogrel-MP-AM, is a 3'-methoxyacetophenone Clopidogrel metabolite and oral P2Y12 receptor platelet inhibitor.</p>

<p>BMS-962212: reversible, selective FXIa blocker, well-tolerated, quick PD effect, rapid clearance, alters clotting time/activity.</p>

<p>AS 183 is an inhibitor of cholesterol acyltransferase (ACAT).</p>

<p>BMS-186511: An FT inhibitor targeting malignant cells in NF1, halting growth and spread without affecting related enzymes.</p>

<p>CP-113818 is a potent inhibitor of cholesterol acyltransferase (ACAT) and can be used to study Alzheimer's disease.</p>

<p>GPX4-IN-2 is a potent inhibitor of GPX4, exhibiting antiproliferative activity. It holds potential for cancer research applications.</p>

<p>Potent CETP inhibitor, boosts HDL-C levels, orally active; IC50=4nM.</p>

<p>VT-1598 tosylate is a selective, orally active antifungal compound that targets CYP51. It demonstrates efficacy against C. auris.</p>

<p>9-OxoODE, formed through the oxidation of the allylic hydroxyl group in both 9(S)-HODE and 9(R)-HODE, is present in rabbit reticulocyte plasma and mitochondrial membranes as both 9- and 13-oxoODEs, constituting approximately 2% of the total linoleate residues. The majority of these oxidized linoleate residues are esterified to membrane lipids.</p>

<p>Very long chain polyunsaturated fatty acids (VLCPUFA), notably present in the retina, sperm, and brain, have yet to be fully understood in terms of their biosynthesis and functional roles within these tissues. Recent research, particularly with the elongation of very long-chain FA-4 protein, indicates a distinct function for VLCPUFAs in retinal development and the progression of macular degeneration. CAY10632, a specific C32:6 VLCPUFA, while largely unexplored in its biological activities, is believed to play a role in maintaining normal function of photoreceptor cells in the retina.</p>

<p>C22 Phytoceramide (t18:0/22:0) is a lipid molecule that can be used in life science related research. The CAS number of C22 Phytoceramide (t18:0/22:0) is 164576-03-8.</p>

<p>S-2E, an oral inhibitor of HMG-CoA reductase/acetyl-CoA carboxylase, treats hyperlipidemia.</p>

<p>7,12-Diketolithocholic acid, a bile acid, exhibits elevated plasma levels in patients experiencing cholestasis.</p>

<p>Hypusine is an N-terminal amino alcohol derivative of Lys occurring in bovine brain &amp;</p>

<p>Pactimibe sulfate is a dual ACAT1/2 inhibitor with anti-atherogenic potential, reducing plasma cholesterol.</p>

<p>Mutant IDH1-IN-4 is an mutant Isocitrate dehydrogenase 1 (IDH 1) inhibitor.</p>

<p>A 78773: potent reversible 5-lipoxygenase inhibitor; active in cells/tissues; targets inflammation, asthma, IBD.</p>

<p>JNJ-10258859 is a potent, and selective phosphodiesterase type 5 inhibitor with a K(i) of 0.23 nM.</p>

<p>H2-003 is a selective inhibitor of diacylglycerol acyltransferase 2 (DGAT2).</p>

<p>SM-32504 is a potent inhibitor of ACAT.</p>

<p>MK-8245 analog is an analog of MK-8245 which is a liver-targeted Inhibitor of Stearoyl-CoA Desaturase (SCD).</p>

<p>ICMT-IN-7 (compound 74), with an IC50 value of 0.015 µM, functions as an ICMT inhibitor, promotes cytoplasmic accumulation of ICMT in HCT-116 cells in a dose-</p>

<p>Mitochondria degrader-1, a potent autophagy inducer, aids in neurodegenerative, cancer, and aging disease research.</p>

<p>Pentadecanoyl ethanolamide, a derivative of the endogenous lipid amides (N-acylethanolamines), demonstrates anticonvulsant efficacy in electroshock-induced seizures in mice, exhibiting minimal toxicity [1].</p>

<p>DC271, a retinoid and RAR agonist, mimics the cellular effects of the endogenous ATRA and the synthetic EC23, by binding to retinoid protein machinery such as CRABPII to facilitate the translocation of ATRA into the nucleus [1].</p>

<p>ICMT-IN-43 (compound 22) acts as a potent inhibitor of the enzyme ICMT, exhibiting an inhibitory concentration (IC50) value of 0.04 μM [1].</p>

<p>IDH1 Inhibitor 5 targets MOG cells (IC50: 64.4 nM) and R132H mutant IDH1 gliomas (IC50: 34.9 nM).</p>

<p>15-beta PGF2α, a biochemical compound, serves as a pivotal mediator in diverse physiological processes.</p>

<p>NUCC-0223619 is an IDO1 inhibitor that induces the degradation of IDO protein and can be involved in the synthesis of PROTAC.</p>

<p>AGN 193109 is a potent antagonist of retinoic acid receptors (RARs; Kd= 2, 2, and 3 nM for RARα, β, and γ, respectively), exhibiting selectivity for RARs over retinoid X receptors (RXRs; Kd= &gt;10,000 nM for human RXRα, β, and γ receptors). This compound effectively reverses cellular morphology changes and growth suppression induced by RAR agonists such as all-trans-RA, 13-cis-RA, and 9-cis-RA in ECE16-1 human endometrial ectocervical epithelial cells, particularly when used at a 10-fold molar excess. Furthermore, AGN 193109 downregulates the expression of cytokeratin K5-8, 13, 14, 16, 17, and 19 genes, indicating inhibition of retinoid action, specifically when co-administered with TTNPB but not as a standalone treatment. In vivo studies demonstrate teratogenic effects, including cleft palate, frontonasal dysplasia, and eye malformations in mouse fetuses following a single oral dose of 1 mg/kg.</p>

<p>RORγt Inverse agonist 3 is a potent, selective and orally active inverse agonist of RORγ(EC50s of 0.22 μM and 0.15 μM for hRORγ and RORγt (human IL-17 cells),</p>

<p>Chinese gallotannin, a non-specific promiscuous inhibitor of α-amylase, exhibits a K(i) value of 0.82 μg/mL against human salivary α-amylase and shows potential</p>

<p>DSTAP chloride (CDESA), a cationic lipid, is utilized in the formation of lipid nanoparticles (LNPs) and exhibits high transfection efficiency [1].</p>

<p>CL4H6, a pH-sensitive cationic lipid, serves as the primary constituent of lipid nanoparticles (LNPs). These LNPs are instrumental in targeting and delivering siRNA, leading to a potent gene-silencing response [1] [2].</p>

<p>ICMT-IN-18 (compound 35) serves as an ICMT inhibitor with an IC50 value of 0.066 μM [1].</p>

<p>ICMT-IN-16 (compound 33) functions as an inhibitor of ICMT, demonstrating inhibitory concentration 50% (IC50) efficacy at 0.131 μM [1].</p>

<p>cis-ent-Tadalafil (cis-ent-IC-351) is a potent and selective PDE5 inhibitor that lowers blood pressure.</p>

<p>M5N36: selective Cdc25C inhibitor, IC50: 0.15µM A, 0.19µM B, 0.06µM C; halts cell growth, boosts p-CDK1/2.</p>

<p>3-Oxo Atorvastatin is an impurity of Atorvastatin. Atorvastatin is an HMG-CoA reductase inhibitor and has the ability to effectively decrease blood lipids.</p>

<p>KH064 is a sPLA2-IIA inhibitor of oral activity.</p>

<p>JTT 551: Selective PTP1B inhibitor for type 2 diabetes research; Ki=0.22μM for PTP1B, 9.3μM for TCPTP.</p>

<p>CAY10435, a β-ketooxazapyridine and selective FAAH inhibitor, exhibits antimicrobial properties. It binds non-competitively to the FAAH of Dictyostelium discoideum, demonstrating a Kd value of 0.57 nM [1] [2].</p>

<p>Sch59498 is a potent phosphodiesterase 1c (Pde1c) inhibitor.</p>

<p>Leukotriene C4 (14,15-LTC4) is an inflammatory mediator synthesized from arachidonic acid through the actions of 15- and 12-lipoxygenases (LOs), involving intermediates such as 15-HpETE and 14,15-LTA4. Unlike the majority of leukotrienes formed via the 5-LO pathway, 14,15-LTC4 is an eoxin predominantly produced by eosinophils, although mast cells and nasal polyps can also synthesize it. While its physiological roles are not well understood, 14,15-LTC4 exhibits limited contractile activity on guinea pig ileum and pulmonary parenchyma. However, it can increase vascular permeability in human endothelial cell monolayers in vitro with potency comparable to 5-LO-derived leukotrienes, contributing to plasma leakage characteristic of inflammation.</p>

<p>ZK824190: oral uPA inhibitor, IC50 - uPA 237 nM, tPA 1600 nM, Plasmin 1850 nM.</p>

<p>Moexiprilat, an active metabolite of the prodrug moexipril formed through side chain ester hydrolysis in vivo, functions as an angiotensin-converting enzyme (</p>

<p>L-869298 is a potent and selective inhibitor of PDE4.</p>

<p>BMS-262084 is a potent selective β-lactam trypsin inhibitor with therapeutic potential in the treatment of asthma.</p>

<p>Pactimibe is a ACAT inhibitor. It has anti-atherosclerotic activity.</p>

<p>(+/-)12-HpETE, a vasodilator, is a 12-hydroxyicosatetraenoic acid produced by lipoxygenase [1].</p>

<p>9(Z),11(E),13(Z)-Octadecatrienoic acid methyl ester, an isomer of 9(Z),11(E),13(E)-octadecatrienoic acid methyl ester and the methyl ester derivative of 9(Z),11(E),13(Z)-octadecatrienoic acid, serves as a standard for quantifying 9(Z),11(E),13(Z)-octadecatrienoic acid in wild growing pomegranate (P. granatum) seed oil [Matreya, LLC. Catalog No. 1240].</p>

<p>DPM-1001 trihydrochloride: Potent PTP1B inhibitor, IC50 100 nM, oral, non-competitive, anti-diabetic.</p>

<p>Compound 22g: potent GLO1 inhibitor; IC50=0.011 μM; potential for depression, anxiety research.</p>

<p>CJ-463, a selective uPA blocker, shows strong anti-tumor effect, especially at 100mg/kg, potentially treating lung cancer.</p>

<p>First potent oral dual IDO1/IDO2 inhibitor with antitumor properties; IC50: 28 nM (IDO1), 144 nM (IDO2).</p>

<p>SH-BC-893: Oral anti-cancer sphingolipid analog, prevents ceramide-related mitochondrial issues, and tackles diet-related obesity.</p>

<p>Bemoradan is an inhibitor of the rolipram-insensitive cyclic AMP phosphodiesterase from canine heart tissue</p>

<p>LNP Lipid-8 (11-A-M), an ionizable lipid, is utilized in lipid nanoparticles (LNP) for siRNA delivery to T cells without ligand targeting. When loaded with GFP siRNA (siGFP), it significantly silences the GFP gene in a mouse model [1].</p>

<p>DHODH-IN-22: potent, selective DHODH inhibitor, orally active, IC50: 0.3 nM, for AML research.</p>

<p>ICMT-IN-47 (compound 26) acts as an ICMT inhibitor with an IC50 value of 0.76 μM [1].</p>

<p>Dieicosanoin is a diacylglycerol that incorporates arachidic acid, a saturated long-chain fatty acid featuring a 20-carbon backbone. This acid is derivable from sources such as peanut butter and anaerobic fungi [1] [2].</p>

<p>Yonkenafil HCl, a PDE5 inhibitor, is used potentially for the treatment of erectile dysfunction.</p>

<p>(S,R)-WT IDH1 Inhibitor 2: selectively targets mutant IDH1; IC50 - R132G: 2.9 nM, R132C: 3.8 nM, R132H: 4.6 nM, WT: 46 nM; potential for AML treatment.</p>

<p>8(Z),14(Z)-Eicosadienoic Acid, an ω-8 C20:2 fatty acid, constitutes 0.19% of total fatty acids in human milk. In vivo, it is converted by desaturases into eicosatrienoic acids, known for their potent vasodilator properties. However, the physiological effects of 8(Z),14(Z)-Eicosadienoic Acid remain unexplored.</p>

<p>RORγt inverse agonist 26, a potent reverse agonist of RORγt, effectively modulates Th17 cell differentiation and suppresses IL-17 production.</p>

<p>Antiviral agent 46, also known as compound 4, is a cannabidiol (CBD) derivative exhibiting anti-SARS-CoV-2 activity (IC50: 1.90 μM) and ACE2 inhibition (IC50: 1.37 μM) [1].</p>

<p>inhibitor of phosphodiesterase type 5 (PDE5)</p>

<p>Branched fatty acid esters of hydroxy fatty acids (FAHFAs) are recent discoveries in endogenous lipids that are influenced by dietary changes such as fasting and high-fat diets, showing a link with enhanced insulin sensitivity in mice. These compounds typically feature a C-16 or C-18 fatty acid (e.g., palmitoleic, palmitic, oleic, or stearic acid) bound to a hydroxy group on another C-16 or C-18 fatty chain. A specific FAHFA, 9-POHSA, consists of palmitoleic acid connected at the hydroxy stearic acid's 9th position. This molecule, in particular, exhibits notably increased levels in the serum of glucose-tolerant AG4OX mice, which express the Glut4 glucose transporter predominantly in their adipose tissue. Given the broader family of FAHFAs' roles in enhancing glucose tolerance, promoting insulin secretion, and exerting anti-inflammatory effects, 9-POHSA emerges as a potential bioactive lipid involved in managing metabolic syndrome and inflammation.</p>

<p>secreted phospholipase A2 (sPLA2) inhibitor</p>

<p>ICMT-IN-29, also known as compound 66, effectively inhibits ICMT with an IC50 value of 0.019 μM [1].</p>

<p>Clocortolone pivalate, a synthetic steroid, treats dermatitis and psoriasis.</p>

<p>CAXII-IN-1, antitumor, selectively inhibits CA XII with Ki of 3.8 nM for hCA XII and 56 nM for hCA IX.</p>

<p>BMS-185411 is a bio-active chemical.</p>

<p>FR-190809 is a nonadrenotoxic and orally efficacious inhibitor of acyl-CoA:cholesterol O-acyltransferase (ACAT) (IC50: 45 nM).</p>

<p>QH536 degrades HMGCR (EC50: 0.22 μM), has anti-inflammatory properties, and avoids cholesterol buildup; useful for cardiovascular and NASH research.</p>

<p>N-Oleoyl taurine, an amino-acyl endocannabinoid isolated from rat brain, along with several arachidonoyl amino acids such as N-arachidonoyl dopamine and N-arachidonoyl serine, have been derived from bovine brain. Mass spectral lipidomics analysis of rat brain revealed a series of fatty acyl amides of taurine, marking the discovery of a new class of compounds. These compounds, found in the kidney, are known to activate members of the transient receptor potential (TRP) family of calcium channels, with N-Oleoyl taurine specifically potentially activating TRPV1 and TRPV4 channels.</p>

<p>SHP394 is an orally efficacious inhibitor of protein tyrosine phosphatase SHP2 (IC50: 23 nM).</p>

<p>1,3-Dipalmitoyl glycero-2-phosphatidylethanolamine is a phospholipid incorporating saturated long-chain (16:0) stearic acid at the sn-1 and sn-3 positions, with phosphatidylethanolamine (PE) at the sn-2 position. Phosphatidylethanolamines, critical components of biological membranes, play essential structural and functional roles. Various PE types are instrumental in forming micelles, liposomes, and other synthetic membranes.</p>

<p>sEH/AChE-IN-3 -15: potent dual sEH &amp; AChE inhibitor; crosses BBB; IC50: hsEH 0.4nM, hAChE 1.94nM, hBChE 615nM, msEH 4.3nM, mAChE 2.61nM.</p>

<p>ICMT-IN-21 (compound 6ag) is an ICMT inhibitor with an IC50 value of 8.8 µM, featuring sulfonamide-modified farnesyl cysteine (SMFC).</p>

<p>Biliverdin, produced through the oxidation of bilirubin, can also be synthesized through a non-protoporphyrin pathway in Corynebacterium glutamicum [1].</p>

<p>9(E),11(E)-Conjugated Linoleic Acid (9(E),11(E)-CLA) belongs to a group of eight geometric isomers of linoleic acid, characterized by adjacent double bonds. This specific isomer, 9,11 all-trans linoleic acid, was first discovered in ground beef and is found in various dairy products as well. Notably, it has been shown to decrease mammary tumors in rats with dietary inclusion as minimal as 0.1%. [Matreya, LLC. Catalog No. 1181]</p>

<p>S-(p-Nitrobenzyl)glutathione acts as a competitive inhibitor of glutathionase.</p>

<p>1,2-Dimyristoyl-3-palmitoyl-rac-glycerol (MMP) is a triacylglycerol comprising myristic acid and palmitic acid [1].</p>

<p>11-Hexadecenoic acid, a monounsaturated fatty acid, comprises both 11-cis-hexadecenoic acid and 11-trans-hexadecenoic acid. These isoforms are present in ewe milk fat and their concentrations increase when the diet is supplemented with lipids from linseed, sunflower, olive, or fish oils. Additionally, 11-trans-hexadecenoic acid is found in intramuscular fat of both male and female foals. The product is a blend of the 11-cis and 11-trans forms. [Matreya, LLC. Catalog No. 1208]</p>

<p>G1-OC2-K3-E10, an ionizable lipid, facilitates mRNA delivery through lipid nanoparticles (LNPs) [1].</p>

<p>PDE5-IN-42 is a selective inhibitor of second-generation phosphodiesterase type 5 (PDE5).</p>

<p>8(Z)-Eicosenoic acid, a cis-unsaturated free fatty acid featuring a 20-carbon chain, enhances acetylcholine (ACh) receptor channel currents without causing depression and augments PCKε phosphorylation of a substrate peptide in Xenopus oocytes. This acid comprises 6% of the fatty acid composition in seed oil extracted from B. collina.</p>

<p>C24:1 dihydro 1-Deoxyceramide (m18:0/24:1) is a lipid molecule that can be used in life science related research. The CAS number of C24:1 dihydro 1-Deoxyceramide (m18:0/24:1) is 1246298-60-1.</p>

<p>SREBP/SCAP-IN-1 (compound 10b) serves as a selective inhibitor of SREBP/SCAP [1].</p>

<p>ICMT-IN-28 (compound 65) serves as an inhibitor of ICMT, exhibiting significant potency with an IC50 value of 0.008 μM [1].</p>

<p>GIV3727, a bitter taste receptor hTAS2R antagonist, inhibits the activation of hTAS2R31 by saccharin and acesulfame potassium, effectively diminishing the</p>

<p>Cholesterol 24-hydroxylase-IN-2 is a potent inhibitor of cholesterol 24-hydroxylase (CH24H or CYP46A1), exhibiting an IC50 value of 5.4 nM, and has potential</p>

<p>Cis-8-Octadecenoic acid, a monounsaturated fatty acid and isomer of oleic acid, trans-vaccenic acid, trans-petroselinic acid, and cis-petroselinic acid, is present in partially hydrogenated vegetable oil and milk fat.</p>

<p>Anandamide (AEA), an endogenous cannabinoid, interacts with both central (CB1) and peripheral (CB2) cannabinoid receptors. Its effects are concluded through the cellular uptake and enzymatic breakdown of its amide bond by fatty acid amide hydrolase. Arachidonoyl-N-methyl amide, an analog of anandamide, specifically targets the human CB1 receptor, displaying a binding affinity with a Ki of 60 nM. It completely inhibits rat glial gap junction intercellular communication at a concentration of 50 µM.</p>

<p>Hypogeic acid is isolable from cultures of autotrophic bacteria linked to sulfate accumulation in biofilters [1].</p>

<p>Taurohyocholic acid (THCA), a taurine-conjugated form of porcine-specific primary bile acid hyocholic acid, inhibits cholesterol crystal precipitation by stabilizing cholesterol in the liquid-crystalline phase and prevents cholestasis and cellular necrosis in isolated rat livers induced by taurolithocholic acid. Additionally, THCA levels rise in the urine of patients with hepatitis B-induced cirrhosis.</p>

<p>ICMT-IN-27, also known as compound 64, is an inhibitor of the enzyme ICMT, demonstrating potent activity with an IC50 value of 0.1 µM [1].</p>