Metabolism

H2-003 is a selective inhibitor of diacylglycerol acyltransferase 2 (DGAT2).

1-Palmitoyl-2-oleoyl-sn-glycero-3-PA (1,2-POPA) is a phospholipid featuring a palmitic acid (16:0) chain that is saturated and an oleic acid (18:1) chain that is monounsaturated, positioned at the sn-1 and sn-2 locations, respectively. This compound is utilized in creating micelles, liposomes, and various artificial membrane forms.

15-PGDH-IN-2 (Compound 2) is an inhibitor of 15-PGDH with an IC50 value of 0.274 nM. This compound is useful for research into hair loss, bone formation, gastric ulcer healing, and dermal wound healing [1].

Lateritin (Bassiatin) is An Acyl-CoA:cholesterol acyltransferase (ACAT) inhibitor and a platelet aggregation inhibitor from the mycelial cake of Gibberella

hCAIX/XII-IN-8 (compound 3g) is a potent inhibitor of the human carbonic anhydrases (CAs) IX and XII, with inhibition constants (K i) of 8.5 nM for CA IX and 6.

Casein kinase II inhibitor IV is an effective small molecule inducer, which can be used to induce epidermal keratinocyte differentiation.

A 62198 is a potent and selective renin inhibitor with potential as a hypotensive agent.

Lp-PLA2-IN-9, a tetracyclic pyrimidinone, inhibits rhLp-PLA2 (pIC50: 10.1), promising for neurodegenerative research.

FXIa-IN-1 is a potent β-lactam covalent heparin-derived factor XIa (fXIa) inhibitor.

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

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

5(S)-HETrE, made by 5-LO from mead acid, has unknown biological activity and metabolic fate.

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

UK 357903, a phosphodiesterase 5A (PDE5A) inhibitor, is used potentially for the treatment of erectile dysfunction.

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

Hypusine is an N-terminal amino alcohol derivative of Lys occurring in bovine brain &

Lignoceroyl ethanolamide, a fatty N-acyl ethanolamine within the endocannabinoid family, is derived from lignoceric acid, which is found in relatively high concentrations in rat cerebrospinal fluid. However, the specific function and significance of this metabolite remain unclear.

20-HETE Inhibitor-1 (Comp 83) serves as an inhibitor of 20-HETE formation [1].

244cis, an ionizable cationic lipid incorporating a piperazine structure, facilitates the creation of lipid nanoparticles (LNPs). These LNPs, when formulated with 244cis and coated with an mRNA reporter gene, exhibit preferential accumulation in the lungs of mice, in contrast to those formulated with SM-102. Additionally, it leads to a reduction in the levels of serum chemokine (C-C motif) ligand 2 (CCL2) [1].

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

MSI-1436 is a selective, non-competitive the enzyme protein-tyrosine phosphatase 1B (PTB1B)inhibitor(IC50 of appr 1 μM)

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

Homonojirimycin is an alpha-glucosidase inhibitor.

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

5-Lipoxygenase-In-1 (compound example 4.10) is a 5-Lipoxygenase inhibitor.

α-Glucosidase-IN-28 (Compound 18) is an α-glucosidase inhibitor with an IC50 of 0.62 μM and Ki value of 3.93 μM.

Magmas-IN-1 (compound 9), a small molecule Magmas inhibitor (SMMI), targets the mitochondria-associated granulocyte-macrophage colony-stimulating factor (GM-CSF

hCAIX-IN-15 is a potent inhibitor of human carbonic anhydrase IX (hCA IX) with an inhibition constant (Ki) of 38.8 nM, exhibiting broad-spectrum anticancer

1-Myristoyl-2-linoleoyl-3-palmitoyl-rac-glycerol, a triacylglycerol comprising myristic, linoleic, and palmitic acids at the sn-1, sn-2, and sn-3 positions respectively, is present in palm and vegetable oils.

Ramipril diketopiperazine acid represents a potential impurity identified within commercial ramipril formulations.

C24:1 1-Deoxyceramide (m18:1/24:1(15Z)) is a lipid molecule that can be used in life science related research. The CAS number of C24:1 1-Deoxyceramide (m18:1/24:1(15Z)) is 1246298-58-7.

5-Methylchrysene, a carcinogenic polycyclic aromatic hydrocarbon with four fused rings, functions as an aryl hydrocarbon receptor agonist. It is generated through the incomplete combustion of organic matter and primarily detected in gasoline exhaust and tobacco smoke. Additionally, 5-Methylchrysene can be converted into mutagenic metabolites by cytochrome P450 enzymes 1A1 and 1B1.

hUP1-IN-1 potassium (compound 6a), a hUP1 inhibitor, demonstrates inhibitory activity with Ki and Kis values of 375 nM and 635 nM, respectively. It achieves 70% inhibition of hUP1-catalyzed reactions at a concentration of 1 μM. This compound is utilized in cancer research [1].

1,3-Dioleoyl-2-octanoyl glycerol, a triacylglycerol, features oleic acid at the sn-1 and sn-3 positions and octanoic acid at the sn-2 position. Its utility lies in the characterization of R. oryzae lipase functionality, specifically for regiodistribution analysis of fats that comprise medium- and short-chain fatty acids.

Anticancer agent 121, a human lactate dehydrogenase A (hLDHA) inhibitor, exhibits potent anticancer activities, suitable for use in anticancer research [1].

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

EHNA hydrochloride is a PDE2 and ADA inhibitor with anticancer activity, increasing intracellular adenosine concentration in a treatment time-dependent manner.

JNJ-40929837 is an oral inhibitor of LTA4 hydrolase, which catalyzes LTB4 production.

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

Casein kinase 1δ-IN-5 is a selective CK1δ inhibitor (IC50 47 nM) with neuroprotective activity, supporting neurodegeneration research.

Leramistat is a mitochondrial complex I (NIC1) inhibitor that alters cellular metabolism and reduces proliferation in human primary lung fibroblasts.

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.

AalphaC (2-Amino-alpha-carboline) is a potential carcinogen.

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

Methyl 10(Z)-heptadecenoate, a minor fatty acid methyl ester (FAME) component of biodiesel, is the ester derivative of cis-10-heptadecenoic acid.

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.

HIF-2α-IN-6 (117) is a HIF-2α inhibitor [1].

1,2-Dipalmitoyl-sn-glycero-3-N,N-dimethyl-PE is a derivative of 1,2-dipalmitoyl-sn-glycero-3-PE (1,2-DPPE) with two added methyl groups on its sn-3 moiety, which in aqueous suspensions, reduces the phase transition temperature relative to those of 1,2-DPPE and 1,2-dipalmitoyl-sn-glycero-3-N-methyl-PE (1,2-NMeDPPE). It is utilized in creating liposomes and monolayers for investigating membrane permeability and monolayer viscosity.

IDH1 Inhibitor 2 (compound 13) is a potent IDH1 inhibitor via direct covalent modification of His315 (IC50: 110 nM).

Metformin hydroxy analog 2, an oxidation product of the biguanide metformin (1), represents a chemically transformed variant of the original compound, showcasing a modified molecular structure through the process of oxidation.

N-Arachidonoyl dopamine (NADA) and N-Arachidonoyl serine (ARA-S), among various arachidonoyl amino acids, have been extracted from bovine brain, while a novel series of fatty acyl amides of taurine were unearthed in rat brain through mass spectral lipidomic analysis, indicating the discovery of a new class of compounds also located in the kidney. These compounds are known to activate members of the transient receptor potential (TRP) family of calcium channels. Notably, N-Stearoyl taurine emerges as a significant amino-acyl endocannabinoid identified in rat brain lipidomics profiling.

SHP2-IN-19 (compound 183) is a SHP2 inhibitor exhibiting potent activity with an IC50 of 3 nM, and is utilized in glioblastoma research [1].

Prolyl Hydroxylase inhibitor 1 is an orally active inhibitor of hypoxia inducible factor (HIF)-prolyl hydroxylase (PHD) (IC50 of 62.23 nM).

BMS-185411 is a bio-active chemical.

Curcumin-β-D-glucuronide, a principal metabolite detected in hepatic tissue and portal blood following oral consumption of Curcumin, is utilized in colon cancer

ERX-41 is an orally active, stereospecific small molecule that targets lysosomal acid lipase A (LIPA).

Celgosivir (6 O-butanoyl castanospermine) is an inhibitor of α-glucosidase I. In vitro assay, it inhibits bovine viral diarrhoea virus (BVDV) ( IC50: 1.27 μM ).

ICMT-IN-33 (compound 73) functions as an ICMT inhibitor with an IC50 value of 0.46 μM [1].

secreted phospholipase A2 (sPLA2) inhibitor

PF-915275 inhibits 11βHSD1 in humans (Ki=2.3 nM, EC50=15 nM) and affects cortisone-cortisol conversion in hepatocytes.

Hemipyocyanine (528-71-2) is the virulence factor of Gram-negative, aerobic rod bacterium Pseudomonas aeruginosa. Hemipyocyanine is an α-Amylase inhibitor.

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.

Z-Pro-Pro-CHO acts as a prolyl oligopeptidase inhibitor with half-maximal inhibitory concentrations (IC50) of 0.16 μM for human prolyl oligopeptidase and 0.01

GSK2324 is a potent FXR agonist for the treatment of NAFLD by controlling hepatic lipids through reduced uptake and selective reduction of fatty acid synthesis.

5α-Androst-16-en-3-one, a mammalian pheromone present in boar saliva, plays a crucial role in facilitating social and sexual interactions by acting as a volatile chemical cue. It is utilized to prime sows in estrus for mating or artificial insemination, underscoring its significance in reproductive behavior. Additionally, this compound is detected in human sweat and urine, where it is involved in studies concerning receptor-mediated odorant detection and the genetic foundations of anosmias, thereby broadening its scope of relevance beyond the animal kingdom.

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

Difethialone is an anticoagulant rodenticide and a vitamin K antagonist.

inhibitor of phosphodiesterase type 5 (PDE5)

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].

Enpp-1-IN-4: potent enpp-1 inhibitor with potential in cancer research. See patent WO2019177971A1, compound 1.

S07-1066, an aldo-keto reductase 1C3 (AKR1C3) inhibitor, enhances doxorubicin (DOX) cytotoxicity by selectively inhibiting AKR1C3-mediated reduction of DOX and

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

7-Hydroxy Etodolac, an inactive metabolite of the non-steroidal anti-inflammatory drug (NSAID) and COX inhibitor etodolac, serves no active function in the drug's pharmacological effects.

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].

1,2-Dilauroyl-sn-glycero-3-phospho-(2R)-glycerol is a type of phosphoglycerol characterized by the presence of lauric acid at the sn-1 and sn-2 positions. [Matreya, LLC. Catalog No. 1443]

Zofenoprilat, an angiotensin-converting enzyme (ACE; IC50 = 8 nM for rabbit lung enzyme) inhibitor and the active metabolite of the prodrug zofenopril,

"1-O-Hexadecyl-2-eicosapentaenoyl-sn-glycero-3-PC is a compound that results from the incorporation of eicosapentaenoic acid (EPA) into lyso-PAF C-16, a process demonstrated in neutrophils from monkeys and humans consuming a diet rich in fish oils. Furthermore, it functions as a precursor for PAF C-16 synthesis via the remodeling pathway."

Potent LXR agonist; AC50: 1.5 nM (LXR-α), 12 nM (LXR-β); potential in atherosclerosis research.

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

F1874-108 functions as an inhibitor of both brassinosteroid biosynthesis and signal transduction [1].

Sulforhodamine 101 DHPE, a fluorescent probe, results from the conjugation of sulforhodamine 101, a red fluorescent dye with excitation/emission spectra of 586/605 nm, to the phospholipid 1,2-dipalmitoyl-sn-glycero-3-PE. It effectively integrates into phospholipid bilayers and is utilized for imaging solid supported lipid bilayers, detecting protein-ligand interactions on bilayers, and monitoring lipid probe colocalization in liposomes through resonance energy transfer (RET).

1-Palmitoyl-3-stearoyl-rac-glycerol, a diacylglycerol, features palmitic acid at the sn-1 position and stearic acid at the sn-3 position. This compound appears in palm-based diacylglycerols derived from palm stearin, palm mid fraction, palm oil, and palm olein, as well as in extracts of wheat bran and brewer's spent grain.

3'-Hydroxy Lidocaine, an active metabolite of Lidocaine, is produced through the metabolism by the cytochrome P450 (CYP) isoforms CYP1A2 and CYP3A4.

1-Palmitoyl-2-lauroyl-sn-glycero-3-PC (1,2-PLPC) is a phospholipid with palmitoyl (16:0) and lauryl (12:0) acyl chains at the sn-1 and sn-2 positions, respectively. This mixed-chain phosphatidylcholine aids in researching the role of chain-chain contact interactions in maintaining the structural stability of lipid membrane bilayers.

4BAB (compound 29) is an irreversible inhibitor of glyoxalase I (GLO1) and exhibits anticancer activity.

NOX2-IN-1 (compound 10) serves as an inhibitor of the enzyme nicotinamide adenine dinucleotide phosphate oxidase isoform 2 (NOX2).

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

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].

1,3-Dipalmitoyl-2-linoleoyl glycerol is a triacylglycerol featuring palmitic acid at the sn-1 and sn-3 positions, and linoleic acid at the sn-2 position. Identified within the palm stearin fraction of palm oil and as a trace constituent in soybean germ oil, this compound exemplifies the structural diversity of fats and oils in both plant-based sources.

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

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.

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

Sezolamide hydrochloride is a potent topical carbonic anhydrase inhibitor.

GGTI-2133: potent GGTase I inhibitor, IC50=38 nM; blocks inflammatory cell invasion in mice asthma.

Pactimibe is a ACAT inhibitor. It has anti-atherosclerotic activity.