Metabolic pathways are enzyme-mediated biochemical reactions that lead to biosynthesis (anabolism) or breakdown (catabolism) of natural product small molecules within a cell or tissue. In each pathway, enzymes catalyze the conversion of substrates into structurally similar products. Metabolic processes typically transform small molecules, but also include macromolecular processes such as DNA repair and replication, and protein synthesis and degradation. Metabolism maintains the living state of the cells and the organism.

Proteases are used throughout an organism for various metabolic processes. Proteases control a great variety of physiological processes that are critical for life, including the immune response, cell cycle, cell death, wound healing, food digestion, and protein and organelle recycling. On the basis of the type of the key amino acid in the active site of the protease and the mechanism of peptide bond cleavage, proteases can be classified into six groups: cysteine, serine, threonine, glutamic acid, aspartate proteases, as well as matrix metalloproteases. Proteases can not only activate proteins such as cytokines, or inactivate them such as numerous repair proteins during apoptosis, but also expose cryptic sites, such as occurs with β-secretase during amyloid precursor protein processing, shed various transmembrane proteins such as occurs with metalloproteases and cysteine proteases, or convert receptor agonists into antagonists and vice versa such as chemokine conversions carried out by metalloproteases, dipeptidyl peptidase IV and some cathepsins. In addition to the catalytic domains, a great number of proteases contain numerous additional domains or modules that substantially increase the complexity of their functions.

Imbalances in metabolic activities have been found to be critical in a number of pathologies, such as cardiovascular diseases, inflammation, cancer, and neurodegenerative diseases.

References:
[1] Turk B, et al. EMBO J. 2012 Apr 4;31(7):1630-43.
[2] Eatemadi A, et al. Biomed Pharmacother. 2017 Feb;86:221-231.


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CVT 10216

CVT-10216 is a highly selective, reversible aldehyde dehydrogenase-2 (ALDH-2) inhibitor with an IC50 of 29 nM. CVT-10216 also has inhibitory effect of ALDH-1 with an IC50 of 1.3 μM. CVT-10216 can reduces excessive alcohol drinking in alcohol-preferring rats and exhibits anxiolytic effects[1].

  • CAS Number: 1005334-57-5
  • MF: C24H19NO7S
  • MW: 465.475
  • Catalog: Aldehyde Dehydrogenase (ALDH)
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 714.2±70.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 385.8±35.7 °C

PCPA methyl ester hydrochloride

PCPA methyl ester hydrochloride (4-Chloro-DL-phenylalanine methyl ester hydrochloride), a reversible tryptophan hydroxylase inhibitor, is a serotonin (5-HT) synthesis inhibitor. PCPA methyl ester hydrochloride crosses the blood brain barrier and reduces 5-HT central availability[1][2].

  • CAS Number: 14173-40-1
  • MF: C10H13Cl2NO2
  • MW: 250.122
  • Catalog: 5-HT Receptor
  • Density: N/A
  • Boiling Point: 296.3ºC at 760 mmHg
  • Melting Point: 186-189 °C(lit.)
  • Flash Point: 133ºC

HSP70/SIRT2-IN-2

HSP70/SIRT2-IN-2 (Compounds 1a) is a dual inhibitor for SIRT2 and HSP70, with IC50 of 45.1±5.0 μM for SIRT2. HSP70/SIRT2-IN-2 has antitumor activity[1].

  • CAS Number: 1796557-72-6
  • MF: C17H13N3S3
  • MW: 355.50
  • Catalog: HSP
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

7-Ethoxyresorufin-d5

7-Ethoxyresorufin-d5 is deuterium labeled 7-Ethoxyresorufin. 7-Ethoxyresorufin (Resorufin ethyl ether) is a fluorometric substrate and competitive inhibitor of cytochrome P450, especially CYP1A1. 7-Ethoxyresorufin also inhibits NO synthase[1][2].

  • CAS Number: 2749329-28-8
  • MF: C14H6D5NO3
  • MW: 246.27
  • Catalog: NO Synthase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Zymostenol

Zymostenol (5a-Cholest-8-en-3b-ol) is a late-stage precursor in the biosynthesis of cholesterol. Zymostenol is a RORγ agonist (EC50: 1 μM)[1][2][3].

  • CAS Number: 566-97-2
  • MF: C27H46O
  • MW: 386.65400
  • Catalog: ROR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Lacto-N-fucopentaose III

Lacto-N-fucopentaose III (LNFP-III) is an immune modulator. Lacto-N-fucopentaose III reduces the severity of experimental autoimmune encephalomyelitis (EAE) and CNS inflammation[1].

  • CAS Number: 25541-09-7
  • MF: C32H55NO25
  • MW: 853.77
  • Catalog: Aldehyde Dehydrogenase (ALDH)
  • Density: 1.71g/cm3
  • Boiling Point: 1264.6ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 718.6ºC

Epristeride

Epristeride is a novel 5α-reductase inhibor.

  • CAS Number: 119169-78-7
  • MF: C25H37NO3
  • MW: 399.56600
  • Catalog: 5 alpha Reductase
  • Density: 1.13g/cm3
  • Boiling Point: 596ºC at 760mmHg
  • Melting Point: 242-249°
  • Flash Point: 314.3ºC

Cbl-b-IN-1

Cbl-b-IN-1 (example 519) is a Cbl-b inhibitor, extracted from patent WO2019148005A1, with an IC50 <100 nM[1].

  • CAS Number: 2368841-84-1
  • MF: C29H34N6O2
  • MW: 498.62
  • Catalog: E1/E2/E3 Enzyme
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

TAK 21d

FAAH-IN-6 (compound 21d) is a potent, orally active and cross the blood-brain barrier fatty acid amide hydrolase (FAAH) inhibitor with IC50s of 0.72, 0.28 nM for hFAAH, rFAAH, respectively. FAAH-IN-6 shows dose-dependent analgesic efficacy in animal models of both neuropathic and inflammatory pain[1].

  • CAS Number: 1143578-94-2
  • MF: C19H17F2N7O
  • MW: 397.381
  • Catalog: FAAH
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Moexipril-d5

Moexipril-d5 is the deuterium labeled Moexipril. Moexipril hydrochloride is a potent orally active non-sulfhydryl angiotensin converting enzyme(ACE) inhibitor, which is used for the treatment of hypertension and congestive heart failure[1][2].

  • CAS Number: 1356929-49-1
  • MF: C27H29D5N2O7
  • MW: 503.60
  • Catalog: Apoptosis
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Rev 5975

Rev 5975 is a non-sulfhydryl ACE-inhibitor.

  • CAS Number: 101820-46-6
  • MF: C24H30N2O5
  • MW: 426.51
  • Catalog: Angiotensin-converting Enzyme (ACE)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Chenodeoxycholic acid

Chenodeoxycholic Acid is a hydrophobic primary bile acid that activates nuclear receptors (FXR) involved in cholesterol metabolism.

  • CAS Number: 474-25-9
  • MF: C24H40O4
  • MW: 392.572
  • Catalog: FXR
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 547.1±25.0 °C at 760 mmHg
  • Melting Point: 165-167 °C(lit.)
  • Flash Point: 298.8±19.7 °C

HZ52

HZ52 is a potent, reversible 5-lipoxygenase inhibitor, blocking leukotriene synthesis with an IC50 of 0.7 μM in intact human polymorphonuclear leukocytes[1].

  • CAS Number: 1077626-51-7
  • MF: C24H26ClN3O2S
  • MW: 456.000
  • Catalog: 5-Lipoxygenase
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 625.3±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 332.0±31.5 °C

AS1949490

AS1949490 is a potent and selective SHIP-2 (SH2 domain-containing inositol 5′ phosphatase 2) inhibitor, with an IC50 of 620 nM. AS1949490 activated glucose metabolism via up-regulation of GLUT1 gene in L6 myotubes[1][2].

  • CAS Number: 1203680-76-5
  • MF: C20H18ClNO2S
  • MW: 371.88
  • Catalog: Phosphatase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Isofraxidin

Isofraxidin, a coumarin component from Acanthopanax senticosus, inhibits MMP-7 expression and cell invasion of human hepatoma cells. Isofraxidin inhibits the phosphorylation of ERK1/2 in hepatoma cells[1]. Isofraxidin attenuates the expression of iNOS and COX-2, Isofraxidinalso inhibits TLR4/myeloid differentiation protein-2 (MD-2) complex formation[2].

  • CAS Number: 486-21-5
  • MF: C11H10O5
  • MW: 222.194
  • Catalog: COX
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 452.1±45.0 °C at 760 mmHg
  • Melting Point: >300 °C(lit.)
  • Flash Point: 183.2±22.2 °C

MMP-9-IN-1

MMP-9-IN-1 is a specific matrix metalloproteinase-9 (MMP-9) inhibitor, which selectively target the hemopexin (PEX) domain of MMP-9, but not other MMPs[1].

  • CAS Number: 502887-71-0
  • MF: C16H17F2N3O3S
  • MW: 369.39
  • Catalog: MMP
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Ibudilast-d7-1

Ibudilast-d7-1 is the deuterium labeled Ibudilast[1]. Ibudilast (KC-404;AV-411;MN-166) is a cyclic AMP phosphodiesterase (PDE) inhibitor. Ibudilast has platelet anti-aggregatory effects. Ibudilast can be used for the research of asthma for its inhibitory effects on tracheal smooth muscle contractility. Ibudilast may be a useful neuroprotective and anti-dementia agent counteracting neurotoxicity in activated microglia[2].

  • CAS Number: 1204192-90-4
  • MF: C14H11D7N2O
  • MW: 237.35
  • Catalog: Phosphodiesterase (PDE)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

ATX inhibitor 11

ATX inhibitor 11 (compound 13c) is a potent ATX (autotaxin) inhibitor, with an IC50 of 2.7 nM. ATX inhibitor 11 can typically alleviate the severity of fibrosis tissues and effectively reduce the deposition of fibrotic biomarker α-SMA in mice fibrosis model. ATX inhibitor 11 can be used for lung fibrosis research[1].

  • CAS Number: 2485779-27-7
  • MF: C32H35N5O6
  • MW: 585.65
  • Catalog: Phosphodiesterase (PDE)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Enpp-1-IN-9

Enpp-1-IN-9 is a potent inhibitor of ectonucleotide pyrophosphatase-phosphodiesterase 1 (enpp-1). The ENPP 1 has broad specificity and can cleave a variety of substrates, including phosphodiester bonds of nucleotides and nucleotide sugars and pyrophosphate bonds nucleotides and nucleotide sugars. Enpp-1-IN-9 has the potential for the research of cancer and infectious diseases (extracted from patent WO2021203772A1, compound 51)[1].

  • CAS Number: 2718970-70-6
  • MF: C17H24N4O5S
  • MW: 396.46
  • Catalog: Phosphodiesterase (PDE)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Carbosulfan

Carbosulfan inhibited relatively potently CYP3A4 and moderately CYP1A1/2 and CYP2C19 in pooled HLM (human livers). Carbosulfan activation is predominantly catalyzed in humans by CYP3A4.

  • CAS Number: 55285-14-8
  • MF: C20H32N2O3S
  • MW: 380.545
  • Catalog: Cytochrome P450
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 462.5±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 233.5±31.5 °C

FG-4592

Roxadustat (FG-4592) is an oral hypoxia-inducible factor (HIF) prolyl hydroxylase inhibitor developed for the treatment of anemia.

  • CAS Number: 808118-40-3
  • MF: C19H16N2O5
  • MW: 352.341
  • Catalog: HIF/HIF Prolyl-Hydroxylase
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 684.3±55.0 °C at 760 mmHg
  • Melting Point: 199-215°C
  • Flash Point: 367.6±31.5 °C

DABCYL-γ-Abu-Pro-Gln-Gly-Leu-Glu(EDANS)-Ala-Lys-NH2

TNO211 is a biological active peptide. (Matrix Metalloproteinases (MMPs) are a large family of endopeptidases. Collectively, MMPs can degrade all kinds of extracellular matrix proteins, and can also process a number of bioactive molecules. They are known to be involved in the cleavage of cell surface receptors, the release of apoptotic ligands, and chemokine/cytokine inactivation. MMPs are also thought to play a major role in cell behaviors such as cell proliferation, migration (adhesion/dispersion), differentiation, angiogenesis, apoptosis, and host defense.This peptide is a highly soluble fluorogenic MMP substrate for MMP-2, 8, 12, 13 and 14, containing the MMP cleavable Gly-Leu bond and EDANS/DABCYL. Fluorogenic assays using TNO211 are sensitive and can detect MMP activity in culture medium from endothelial cells and untreated synovial fluid from patients. Abs/Em = 340/490 nm.)

  • CAS Number: 193475-71-7
  • MF: C63H88N16O14S
  • MW: 1325.54
  • Catalog: MMP
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Ac-Glu-Asp(EDANS)-Lys-Pro-Ile-Leu-Phe-Phe-Arg-Leu-Gly-Lys(DABCYL)-Glu-NH2 trifluoroacetate salt

Ac-Glu-Asp(EDANS)-Lys-Pro-Ile-Leu-Phe-Phe-Arg-Leu-Gly-Lys(DABCYL)-Glu-NH2 is a cathepsin D substrate, that can be used for cathepsin D FRET assay[1].

  • CAS Number: 400716-78-1
  • MF: C104H146N24O23S
  • MW: 2132.484
  • Catalog: Cathepsin
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Palmatine hydroxide

Palmatine hydroxide is an orally active and irreversible indoleamine 2,3-dioxygenase 1 (IDO-1) inhibitor with IC50s of 3 μM and 157μM against HEK 293-hIDO-1 and rhIDO-1, respectively. Palmatine hydroxide can also inhibit West Nile virus (WNV) NS2B-NS3 protease in an uncompetitive manner with an IC50 of 96 μM. Palmatine hydroxide shows anti-cancer, anti-oxidation, anti-inflammatory, neuroprotection, antibacterial, anti-viral activities[1][2][3][4][5].

  • CAS Number: 131-04-4
  • MF: C21H23NO5
  • MW: 369.41100
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Cathepsin D and E FRET Substrate

Cathepsin D and E FRET Substrate is a fluorogenic substrate for cathepsins D and E and not for B, H or L. The cleavage occurs at the Phe-Phe amide bond resul. Cathepsin D and E FRET Substrate is a valuable tool for routine assays and for mechanistic studies on cathepsins E and D[1].

  • CAS Number: 839730-93-7
  • MF: C85H122N22O19
  • MW: 1756.014
  • Catalog: Cathepsin
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

GNE-617

GNE-617 is a specific NAMPT inhibitor that inhibits the biochemical activity of NAMPT with an IC50 of 5 nM and exhibits efficacy in xenograft models of cancer.

  • CAS Number: 1362154-70-8
  • MF: C21H15F2N3O3S
  • MW: 427.42400
  • Catalog: Nampt
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Imidapril (hydrochloride)

Imidapril Hydrochloride is the hydrochloride salt of Imidapril, an angiotensin-converting enzyme (ACE) inhibitor with antihypertensive activity. Target: ACEAs a prodrug, Imidapril is converted by hydrolysis in the liver into its active form imidaprilat. Imidaprilat competitively binds to and inhibits ACE, thereby blocking the conversion of angiotensin I to angiotensin II. This prevents the potent vasoconstrictive actions of angiotensin II and results in vasodilation. Imidaprilat also decreases angiotensin II-induced aldosterone secretion by the adrenal cortex, which leads to an increase in sodium excretion and subsequently increases water outflow.

  • CAS Number: 89396-94-1
  • MF: C20H28ClN3O6
  • MW: 441.91
  • Catalog: Angiotensin-converting Enzyme (ACE)
  • Density: N/A
  • Boiling Point: 577ºC at 760 mmHg
  • Melting Point: 38-42ºC
  • Flash Point: N/A

hCAXII-IN-1

These compounds show selective inhibition on tumor related subtypes HCA IX and XII, and are also considered as the leading molecules for the development of future cancer therapeutic drugs based on new mechanisms of action.

  • CAS Number: 2451479-66-4
  • MF: C20H17NO5
  • MW: 351.35
  • Catalog: Carbonic Anhydrase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

ARM-1

ARM1 (4BSA) is a potent aminopeptidase and epoxide hydrolase inhibitor. ARM1 shows aminopeptidase inhibitory activity with an IC50 7.61 µM and epoxide hydrolase inhibitory activity with an IC50 12.4 µM[1].

  • CAS Number: 68729-05-5
  • MF: C16H14N2S
  • MW: 266.361
  • Catalog: Aminopeptidase
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 462.7±24.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 233.6±22.9 °C

FR234938

FR234938 is a non-nucleoside adenosine deaminase inhibitor with an IC50 of 17 nM for recombinant human adenosine deaminase enzyme. FR234938 has anti-rheumatic and anti-inflammatory effects[1].

  • CAS Number: 256461-79-7
  • MF: C19H21N3O2
  • MW: 323.39
  • Catalog: Adenosine Deaminase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A