Metabolism

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

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.

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.

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]

Sezolamide is a carbonic anhydrase inhibitor.

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].

FXa-IN-1, an FXa blocker: IC50=3 nM, Ki=0.7 nM, orally available, long half-life, for thrombosis research.

(Rac)-Lonafarnib is a racemic FTase inhibitor, effective against H-ras, K-ras, N-ras (IC50: 1.9, 5.2, 2.8 nM), and has anti-HDV properties.

KH064 is a sPLA2-IIA inhibitor of oral activity.

sEH/AChE-IN-4-15 is a dual sEH and AChE inhibitor crossing the BBB, with IC50s: 3.1 nM (hsEH), 1660 nM (hAChE), 179 nM (hBChE), 14.5 nM (msEH), 102 nM (mAChE).

OSMI-1: cell-permeable OGT inhibitor, blocks O-GlcNAcylation (IC50: 2.7 μM), no effect on other cell glycans.

BMS-986318: potent FXR agonist, EC50=53/350 nM, good ADME, effective in liver disease models, for nonalcoholic steatohepatitis research.

MK-0736 is a potent and selective 11β-HSD-1 inhibitor.

BAY-7081 is a cyanopyridone-based compound that functions as a potent, selective, and orally active PDE9A inhibitor, demonstrating an inhibition concentration (

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

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

Dasatinib analog-1 (compound 5826) demonstrates inhibition of CYP3A4 activity, presenting a K_i value of 5.4 μM, and effectively prevents the formation of glutathione adducts [1].

IDH1 Inhibitor 7 is an IDH1 inhibitor with an IC 50 of less than 100 nM .

RORγt modulator 4 is a RORγt modulator that regulates IL-17A production activity in cells derived from mouse spleen.

ICMT-IN-22 (compound 62) acts as an ICMT inhibitor with an IC50 value of 0.63 μM [1].

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

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.

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

MLS000545091 is a potent and selective human epithelial 15-lipoxygenase-2 mixed-type inhibitor.

h-NTPDase-IN-5 (compound 3b) serves as a pan-inhibitor of NTPDase, exhibiting inhibitory concentration 50 (IC50) values of 1.10 μM (h-NTPDase1), 44.73 μM (h-

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

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= >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.

9(E),11(E)-9-nitro Conjugated Linoleic Acid (9E,11E-9-nitro CLA) is a nitrated fatty acid produced from 9Z,11E-CLA through exposure to acidified nitrite, peroxynitrite, gaseous nitrogen dioxide, or the combined action of myeloperoxidase, hydrogen peroxide, and nitrite. Additionally, it forms in LPS-stimulated RAW 264.7 macrophages, a process that can be inhibited by the nitric oxide synthase (NOS) inhibitor L-NAME. This compound has also been detected in human plasma.

L791943 is a selective, potent) inhibitor of Phosphodiesterase-4 (PDE4,IC50 of 4.2 nM).

RB 101 suppresses enkephalinase and aminopeptidases; biologically cleaved at disulfide to produce inhibitors of both aminopeptidase N and neutral endopeptidase.

CYP3A4-IN-2, a potent CYP3A4 inhibitor (IC50: 0.055 μM), is a hydrophobic ritonavir analog with immunosuppressive and antiviral properties.

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

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

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].

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

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.

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.

C18 Ceramide-1-phosphate (d18:1/18:0) is a long-chain molecule identified in murine skin known to promote the migration of mouse bone marrow-derived multipotent

Thromboxane B2 (TXB2) is a compound significantly released from aggregating platelets and undergoes metabolic transformation during circulation into 11-dehydro TXB2 and 2,3-dinor TXB2. The latter, 2,3-dinor TXB2, serves as a prevalent urinary metabolite of TXB2 and acts as an indicator for in vivo TXA2 synthesis. Studies have shown that in healthy male volunteers, the median excretion rate of 2,3-dinor TXB2 is measured at 10.3 ng/hour, equivalent to 138 pg/mg of creatinine.

Adomeglivant (LY2409021) is a potent glucagon receptor blocker, reducing blood glucose in type 2 diabetes with minimal side effects.

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

1,3-Dioleoyl-2-myristoyl glycerol, a triacylglycerol, features oleic acid at the sn-1 and sn-3 positions and myristic acid at the sn-2 position, and is identified in palm oil.

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

ICMT-IN-44 (compound 23) serves as an ICMT inhibitor with an IC50 value of 0.167 μM [1].

Chloramine-T serves as a versatile reagent in numerous synthetic procedures, including aminohydroxylation, allylic amination, as a nitrogen source in aziridination reactions of alkenes and olefins, and for the deprotection of thio groups in sulfur-containing molecules. Additionally, it plays a role in the synthesis of Factor Xa inhibitors. At a concentration of 0.2% w/v, Chloramine-T acts as an effective antiseptic agent with bactericidal properties against S. epidermidis, S. aureus, E. faecalis, E. coli, P. mirabilis, and E. cloacae.

UCPH-102: Selective EAAT1 inhibitor, IC50 0.43 μM, treats Alzheimer's, ALS, chronic pain, OCD; crosses blood-brain barrier, targets T-ALL cells.

Phenylpyropene C inhibits JAK/STAT and IFN-γ expression (IC50: 5.4-10.8 μM), also blocks acyl CoA (IC50: 16.0 μM).

Monohydroxy melphalan, a degradation product and DNA alkylating agent derived from melphalan, results from melphalan hydrolysis in aqueous solutions such as cell culture medium and human plasma. It enhances DNA adducts in ML-1 myeloblastic leukemia cells based on concentration and induces cytotoxicity with an IC50 value of 28.1 μg/ml.

N-didesmethyl Loperamide, an active metabolite of the peripheral μ1-opioid receptor agonist loperamide, impedes electrically induced contractions in isolated

Phenylarsine Oxide (Oxophenylarsine) is a membrane-permeable tyrosine phosphatase inhibitor with an IC50 value of 18 µM that stimulates 2-deoxyglucose transport

Dendrogenin A (DDA) is a compound acting as a selective liver X receptor (LXR) modulator, cholesterol epoxide hydrolase inhibitor (Ki = 120 nM), and a metabolic

3-Hydroxy Medetomidine, a metabolite of the α2-adrenergic receptor agonist Medetomidine, is actively involved in the biochemical pathways following the administration of Medetomidine.

Arachidonoyl amide (AMC-AA) is a fatty acid amide among several that serve to quantify fatty acid amide hydrolase (FAAH) activity. FAAH, with its relative lack of selectivity, processes various amide head groups beyond ethanolamine, the head group of its primary endogenous substrate, anandamide (AEA). The interaction of AMC-AA with FAAH leads to the liberation of fluorescent aminomethyl coumarin, which has an absorption peak at 360 nm and emission at 465 nm. This fluorescence release facilitates the rapid and efficient assessment of FAAH activity through the utilization of either a standard cuvette or a microplate fluorometer.

LY-338979 is an impurity of pemetrexedone.

MGAT2-IN-4 (compound 33) serves as a monoacylglycerol acyltransferase 2 (MGAT2) inhibitor, exhibiting liver metabolic stability.

PPACK: synthetic peptide, irreversibly inhibits thrombin (Ki = 0.24 nM), prevents platelet activation.

Cholesterylamine, a cationic lipid, can be incorporated into PLGA to create particles with a charged surface, facilitating its use in drug delivery systems and

Yonkenafil, a PDE5 inhibitor, may reduce stroke damage and aid in Alzheimer's treatment.

EMT inhibitor-2 blocks CYP3A4 and CYP2C9 (IC50: 49.72, 5.54 μM) and prevents IL-1β/TGF-β-induced EMT.

Homonojirimycin is an alpha-glucosidase inhibitor.

ICMT-IN-13 (compound 49) functions as an inhibitor of ICMT, exhibiting an IC50 value of 0.47 μM [1].

Cyclophellitol aziridine, an analogue of cyclophenol, serves as a potent inhibitor of β-glucosidase [1].

C2 Dihydro Ceramide (d18:0/2:0) (C2 Dihydroceramide) is a ceramide that is a precursor of ceramide synthesis and stimulates ABCA1-mediated cholesterol efflux.

4-Methylumbelliferyl-α-D-Glucopyranoside (4MU-αGlc) is a fluorescence substrate for α-glucosidase, serving as a biomarker for Fabry disease and Pompe disease

1-Aminodecylidenebis-phosphonic acid, with its potent inhibitory effect on acid sphingomyelinase (IC50= 20 nM), shows selectivity by being less effective against neutral sphingomyelinase (IC50= >100 μM). Additionally, it entirely prevents dexamethasone-induced apoptosis in HepG2 cells.

Compound 144 (also known as Anticancer Agent 144) is a potent inhibitor of both PTPN2 and PTP1B, exhibiting IC50 values of less than 2.5 nM, making it suitable

2-Stearoyl-sn-glycero-3-phosphatidylcholine (2-Stearoyl-sn-glycero-3-PC) is a lysophospholipid characterized by the presence of stearic acid at the sn-2 position. This compound has been identified in the myocardium of rabbits.

ICMT-IN-15 (compound 51) serves as an ICMT inhibitor with an IC50 value of 0.032 μM [1].

5(R)-HETE, a chemotactic for neutrophils, is a potent rare arachidonic acid derivative confirmed in S. solidissima oocytes.

EOS (d18:1/30:0/18:2) is a lipid molecule that can be used in life science related research. The CAS number of EOS (d18:1/30:0/18:2) is 97040-38-5.

Fulvestrant 3-β-D-Glucuronide，Fulvestrant的代谢产物，为葡萄糖醛酸结合物，属于纯抗雌激素类固醇。该化合物可应用于乳腺癌研究领域。

IDH889: Brain-penetrant, mutant-specific IDH1 inhibitor; selective for IDH1 R132* mutations. IC50: 0.02μM (R132H), 0.072μM (R132C), 1.38μM (wild-type).

AZD7687: Selective DGAT1 inhibitor, IC50 of 80 nM. In vitro reduces postprandial TAG. In vivo significant GI side effects at >5 mg/day dose.

Glucocerebrosidase-IN-1 (compound 11a) hydrochloride is a potent, selective GCase (glucocerebrosidase) inhibitor with IC50 and Ki values of 29.3 μM and 18.5 μM

ATX inhibitor 17, a powerful ATX inhibitor, exhibits an IC50 value of 0.019 µM, demonstrating significant anti-proliferative effects in breast cancer cells.

Phytomonic acid, a saturated fatty acid with a cyclopropane ring structure that behaves similarly to a double bond, predominates in gram-negative bacteria L. arabinosus, protozoa, and the seed oil of B. coccineus (Connaraceae). This compound may play a role in regulating cell membrane fluidity.

Cismonoenoic acids form readily from unsaturated fatty acids in animal tissues, with palmitoleic acid (9-cis-hexadecenoic acid) deriving from palmitic acid. An intermediate, 1Δ2-trans-hexadecenoic acid, arises during the β-oxidation of palmitic acid. Furthermore, Δ2-trans-hexadecenoic acid, at a dose of 10 mg/kg, significantly reduces gastric juice secretion in pylorus-ligated rats, indicating potential for gastric ulceration simulation models.

Compound 28.1, also known as TAS2R14 agonist-2, is a potent and selective inhibitor of TAS2R14, exhibiting an EC50 of 72 nM [1].

1,2-Distearoyl-3-palmitoyl-rac-glycerol, a triacylglycerol, features stearic acid at the sn-1 and sn-2 positions and palmitic acid at the sn-3 position. This compound is identified in cocoa butter, lard, and cod liver oil.

IDH1 Inhibitor 3 is a mutant isocitric dehydrogenase 1 (IDH1) inhibitor (IC50: 45 nM for IDH1R132H).

TMC-649128, a RNA polymerase NS5B inhibitor, is used for the treatment of HCV infection.

HSD17B13-IN-2 (compound 1) serves as a potent inhibitor of hydroxysteroid 17ß-dehydrogenase 13 (HSD17B13) with demonstrable activity in cellular experiments [1

Chenodeoxycholic acid 24-acyl-β-D-glucuronide (CDCA-24G), a metabolite of CDCA, is synthesized from CDCA via the action of the UDP-glucuronosyltransferase (UG UT) isoform UGT1A3.

Palmitoleoyl 3-carbacyclic phosphatidic acid (3ccPA 16:1) serves as a moderately effective autotaxin (ATX) inhibitor, exhibiting an IC50 value of 620 nM. This compound finds utility in melanoma research[1].

Eicosapentaenoic acid (EPA) is metabolized into epoxyeicosatetraenoic acids (EpETE) by multiple cytochrome P450 isoforms. The predominant compound of this epoxygenase pathway, (±)17(18)-EpETE, induces relaxation in vascular and airway smooth muscles through its action on large conductance Ca2+-activated K+ (BKCa) channels, specifically by binding to the BKα channel subunits. Another notable epoxygenase pathway derivative, (±)11(12)-EpETE, also generated from EPA via CYP450 activity in both in vitro and in vivo studies, has biological and physiological roles that are yet to be fully elucidated.

FASN-in-1 is an effective, specific inhibitor of fatty acid synthase (FASN), a compound specifically designed to target and inhibit the activity of the enzyme

1-Stearoyl-2-eicosapentaenoyl-sn-glycero-3-PC is a phospholipid comprising stearic acid and eicosapentaenoic acid at the sn-1 and sn-2 positions, respectively, identified in human red blood cells (RBCs).

Deleobuvir sodium (BI207127), a hepatitis C NS5B inhibitor, showed promise in some trials but was discontinued in 2013 due to insufficient efficacy.

TA-720, a 5-lipoxygenase inhibitor, is used potentially for the treatment of asthma.

Dinophysistoxin 1 (DTX 1, 35-methylokadaic acid), a causative agent of diarrhetic shellfish poisoning, exhibits tumor-promoting activity and also acts as a skin

hMAO-B-IN-32 is a potent hMAO-B selective inhibitor with an IC50 of 45.52 μM.

GCase Modulator-1 (Compound 9g), a quinazoline derivative, functions as a glucosidase modulator with an AC50 value of 2.23 µM [1].

GSK356278: selective PDE4A/B/D inhibitor, pIC50~8.7, anti-inflammatory, anxiolytic, cognition-enhancing.

FAAH/cPLA2α-IN-1 is a compound that simultaneously inhibits both FAAH and cPLA2α, demonstrating potent activity with half-maximal inhibitory concentrations (

(±)13,14-EDT, an oxylipin metabolite derived from adrenic acid through the cytochrome P450 (CYP) pathway, acts as a potent activator of large-conductance

Niraxostat (Y-700) is one of the isocytosine derivatives as xanthine oxidase inhibitors.