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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AHU377-d4

Sacubitril-d4 (AHU-377-d4) is the deuterium labeled Sacubitril. Sacubitril (AHU-377) is a potent NEP inhibitor with an IC50 of 5 nM. Sacubitril (AHU-377) is a component of the heart failure medicine LCZ696.

  • CAS Number: 1884269-07-1
  • MF: C24H25D4NO5
  • MW: 415.515
  • Catalog: Neprilysin
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 656.9±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 351.1±31.5 °C

Enpp-1-IN-10

Enpp-1-IN-10 (compound 1) is a potent Ecto-nucleotide pyrophosphatase/phosphodiesterases 1 (ENPP1) inhibitor with an Ki value of 3.866 μM. Enpp-1-IN-10 can be used for researching anticancer[1].

  • CAS Number: 2631704-38-4
  • MF: C13H12N6OS
  • MW: 300.34
  • Catalog: Phosphodiesterase (PDE)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

HIV-1 protease-IN-11

HIV-1 protease-IN-11 (compound 34a) is a HIV-1 protease inhibitor with an IC50 of 0.41 nM. HIV-1 protease-IN-11 also exhibits significant activity against drug-resistant variant[1].

  • CAS Number: 2925287-54-1
  • MF: C26H37N3O5S
  • MW: 503.65
  • Catalog: HIV Protease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

NVP DPP 728

NVP-DPP728 is a potent, reversible and nitrile-dependent dipeptidyl peptidase IV (DPP-IV) inhibitor. NVP-DPP728 can inhibit human DPP-IV amidolytic activity with a Ki of 11 nM. NVP-DPP728 inhibits degradation of glucagon-like peptide-1 (GLP-1) and thereby potentiates insulin release in response to glucose intake. NVP-DPP728 can be used for researching diabetes[1].

  • CAS Number: 247016-69-9
  • MF: C15H18N6O
  • MW: 298.34
  • Catalog: Dipeptidyl Peptidase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Fludrocortisone acetate

Fludrocortisone Acetate is a synthetic mineralocorticoid, used to control the amount of sodium and fluids in your body. It is used to treat Addison's disease by decreasing the amount of sodium that is lost (excreted) in your urine,also used to increase blood pressure.

  • CAS Number: 514-36-3
  • MF: C23H31FO6
  • MW: 422.487
  • Catalog: Autophagy
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 575.1±50.0 °C at 760 mmHg
  • Melting Point: 233-234°C
  • Flash Point: 301.6±30.1 °C

sodium,(2S)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]pyrrolidine-2-carboxylate

Enalapril (MK-421) sodium is an angiotensin-converting enzyme (ACE) inhibitor, can be used for hypertensive diseases research[1][2].

  • CAS Number: 149404-21-7
  • MF: C20H27N2NaO5
  • MW: 398.42900
  • Catalog: Angiotensin-converting Enzyme (ACE)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Theophylline monohydrate

Theophylline (1,3-Dimethylxanthine) monohydrate is a potent phosphodiesterase (PDE) inhibitor, adenosine receptor antagonist, and histone deacetylase (HDAC) activator. Theophylline (1,3-Dimethylxanthine) monohydrate inhibits PDE3 activity to relax airway smooth muscle. Theophylline (1,3-Dimethylxanthine) monohydrate has anti-inflammatory activity by increase IL-10 and inhibit NF-κB into the nucleus. Theophylline (1,3-Dimethylxanthine) monohydrate induces apoptosis. Theophylline (1,3-Dimethylxanthine) monohydrate can be used for asthma and chronic obstructive pulmonary disease (COPD) research[1][2][3][4][5].

  • CAS Number: 5967-84-0
  • MF: C7H10N4O3
  • MW: 198.17900
  • Catalog: Apoptosis
  • Density: N/A
  • Boiling Point: 454.1ºC at 760 mmHg
  • Melting Point: 270-274°C
  • Flash Point: N/A

N-Benzyloleamide

N-Benzyloleamide is a maccamide isolated from Lepidium meyenii (Maca). N-Benzyloleamide irreversibly inhibits fatty acid amide hydrolase (FAAH). N-benzyloleamide influences the energy metabolism and reveals antioxidant and antifatigue activities[1][2].

  • CAS Number: 883715-21-7
  • MF: C26H43NO2
  • MW: 371.61
  • Catalog: FAAH
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Ovalbumin (154-159) trifluoroacetate salt

Ovalbumin (154-159) is a fragment from ovalbumin. Ovalbumin (154-159) is a potent angiotensin-converting enzyme (ACE) inhibitor. Ovalbumin (154-159) can be used for research of hypertension[1][2].

  • CAS Number: 1370698-94-4
  • MF: C28H52N10O9
  • MW: 672.77
  • Catalog: Angiotensin-converting Enzyme (ACE)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

SREBP/SCAP-IN-2

SREBP/SCAP-IN-2(compound 13) is a selectiveSREBP/SCAPinhibitor[1].

  • CAS Number: 2763493-94-1
  • MF: C27H37ClF2N4O
  • MW: 507.06
  • Catalog: Fatty Acid Synthase (FAS)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Protamine sulfates

Protamine sulfate, polycationic peptide and a antiheparin agent, could neutralize the anticoagulant action of heparin and enhances lipid-mediated gene transfer[1][2][3].

  • CAS Number: 9009-65-8
  • MF: C264H460N128O65S7
  • MW: 6691.85629
  • Catalog: Thrombin
  • Density: 2.2±0.1 g/cm3
  • Boiling Point: 330.0±11.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: N/A

(+)-Talarozole

(+)-Talarozole is a potent inhibitor of retinoic acid metabolism extracted from patent WO 1997049704 A1.

  • CAS Number: 201410-66-4
  • MF: C21H23N5S
  • MW: 377.51
  • Catalog: RAR/RXR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Cathepsin X-IN-1

Cathepsin X-IN-1 (compound 25) is a potent Cathepsin X inhibitor with an IC50 of 7.13 µM. Cathepsin X-IN-1 decreases PC-3 cell migration with low cytotoxic[1].

  • CAS Number: 2418577-51-0
  • MF: C15H13N3O3S
  • MW: 315.35
  • Catalog: Cathepsin
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Atractylochromene

Atractylochromene is a potent dual inhibitor of 5-LOX/COX-1 with IC50s of 0.6 and 3.3 μM, respectively[1].

  • CAS Number: 203443-33-8
  • MF: C17H22O2
  • MW: 258.36
  • Catalog: COX
  • Density: 1.030±0.06 g/cm3(Predicted)
  • Boiling Point: 387.1±42.0 °C(Predicted)
  • Melting Point: N/A
  • Flash Point: N/A

Tiprelestat

Tiprelestat is a potent human neutrophil elastase inhibitor. Tiprelestat has antimicrobial and anti-inflammatory activities. Tiprelestat can be used in the research of inflammation/immune disease[1].

  • CAS Number: 820211-82-3
  • MF: C254H416N72O75S10
  • MW: 5999.09
  • Catalog: Elastase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Endoproteinase Asp-N

Endoproteinase Asp-N (Asp-N) is a metalloprotease that can specifically cleave the N-terminal side of aspartyl and cysteic acid residues[1].

  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

JNJ-42226314

JNJ-42226314 is a competitive, highly selective and reversible non-covalent monoacylglycerol lipase (MAGL) inhibitor. JNJ-42226314 demonstrates dose-dependent enhancement of the major endocannabinoid 2-arachidonoylglycerol (2-AG) as well as efficacy in models of neuropathic and inflammatory pain[1].

  • CAS Number: 1252765-13-1
  • MF: C26H24FN5O2S
  • MW: 489.56
  • Catalog: MAGL
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Baceridin

Baceridin is a proteasome inhibitor and a cyclic hexapeptide. Baceridin can be isolated from the culture medium of Epiphytic Bacillus. Baceridin can inhibit cell cycle progression and induce tumor cell apoptosis through a p53-independent pathway. Baceridin can be used in cancer research[1].

  • CAS Number: 1622872-91-6
  • MF: C37H57N7O6
  • MW: 695.9
  • Catalog: Apoptosis
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Dabigatran-13C6

Dabigatran-13C6 is the 13C labeled Dabigatran[1]. Dabigatran (BIBR 953), an oral anticoagulant, is a reversible, potent, competitive direct thrombin inhibitor (Ki=4.5 nM). Dabigatran (BIBR 953) also inhibits thrombin-induced platelet aggregation (IC50=10 nM)[2][3].

  • CAS Number: 1210608-88-0
  • MF: C25H25N7O3
  • MW: 477.46700
  • Catalog: Thrombin
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Indinavir sulfate ethanolate

Indinavir sulfate ethanolate (MK-639 ethanolate) is an orally active and selective HIV-1 protease inhibitor with a Ki of 0.54 nM for PR. Indinavir sulfate ethanolate exhibits anticancer activity by inhibiting the activation of MMPs-2 hydrolysis, anti-angiogenesis and inducing apoptosis. Indinavir sulfate ethanolate is also a SARS-CoV 3CLpro inhibitor[1][2][3][4].

  • CAS Number: 2563866-80-6
  • MF: C38H55N5O9S
  • MW: 757.94
  • Catalog: HIV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

H-Glu-Ala-Gly-Asp-Asp-Ile-Val-Pro-Cys-Ser-Met-Ser-Tyr-Thr-Trp-Thr-Gly-Ala-OH

Hepatitis C Virus S5A/5B is a synthetic peptide substrate. Hepatitis C Virus S5A/5B mimics the NS5A/5B junction of the nonstructural protein (NS), served as the substrate for the study of HCV NS3 protease activity[1].

  • CAS Number: 191529-67-6
  • MF: C81H119N19O30S2
  • MW: 1903.051
  • Catalog: HCV Protease
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 2224.5±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 1299.1±34.3 °C

Prunetin

Prunetin, an O-methylated isoflavone, possesses anti-inflammatory activity. Prunetin is a potent human aldehyde dehydrogenases inhibitor[1][2].

  • CAS Number: 552-59-0
  • MF: C16H12O5
  • MW: 284.263
  • Catalog: Aldehyde Dehydrogenase (ALDH)
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 546.5±50.0 °C at 760 mmHg
  • Melting Point: 240-242ºC
  • Flash Point: 209.7±23.6 °C

RORγt Inverse agonist 10

RORγt Inverse agonist 10 is a potent and orally bioavailable RORγt (retinoic acid receptor-related orphan nuclear receptor gamma t) inverse agonist, with an IC50 of 51 nM. RORγt is a major transcription factor of genes related to psoriasis pathogenesis such as IL-17A, IL-22, and IL-23R[1]

  • CAS Number: 2413986-35-1
  • MF: C25H26F6N6O3
  • MW: 572.50
  • Catalog: ROR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

AHU-377 hemicalcium salt

Sacubitril (AHU-377) hemicalcium salt is a potent NEP inhibitor with an IC50 of 5 nM. Sacubitril hemicalcium salt is a component of the heart failure medicine LCZ696.

  • CAS Number: 1369773-39-6
  • MF: C24H28Ca0.5NO5
  • MW: 430.52
  • Catalog: Neprilysin
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

SR 0987

SR0987 is a RORγt agonist, with an EC50 of 800 nM.

  • CAS Number: 303126-97-8
  • MF: C16H10ClF6NO2
  • MW: 397.699
  • Catalog: ROR
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 378.8±42.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 182.9±27.9 °C

CDC801

CDC801 is a potent and orally active phosphodiesterase 4 (PDE4) and tumor necrosis factor-α (TNF-α) inhibitor with IC50 of 1.1 μM and 2.5 μM, respectively.

  • CAS Number: 192819-27-5
  • MF: C23H24N2O5
  • MW: 408.45
  • Catalog: TNF Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

DPP1-IN-1 hydrate

DPP1-IN-1 hydrate is a DPP1 inhibitor (IC50: 1.6 nM). DPP1-IN-1 hydrate has good bioavailability and pharmacokinetic characteristics, and can be used for research of inflammatory disease[1].

  • CAS Number: 2971064-13-6
  • MF: C23H25FN4O5
  • MW: 456.47
  • Catalog: Dipeptidyl Peptidase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

FAAH-IN-1

FAAH-IN-1 is a fatty acid amide hydrolase (FAAH) inhibitor, with IC50s of 145 nM and 650 nM for rat and human FAAH, respectively.

  • CAS Number: 1242441-47-9
  • MF: C20H19ClN4OS
  • MW: 398.91
  • Catalog: FAAH
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

RS6212

RS6212 is a specific LDH (lactate dehydrogenase) inhibitor with an IC50 value of 12.03 μM . RS6212 inhibits tumor growth and exhibits potent anticancer activity in multiple cancer cell lines[1].

  • CAS Number: 2097925-52-3
  • MF: C20H22N4O3S
  • MW: 398.48
  • Catalog: Lactate Dehydrogenase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Autotaxin-IN-4

Autotaxin-IN-4 (compound 51), extracted from patent WO2018212534A1, is an Autotaxin inhibitor. Autotaxin-IN-4 has the potential to treat idiopathic pulmonary fibrosis[1].

  • CAS Number: 2156655-86-4
  • MF: C22H21N9O2
  • MW: 443.46
  • Catalog: Phosphodiesterase (PDE)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A