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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NSC 95397

NSC 95397 is an inhibitor for dual-specificity phosphatases, including mitogen-activated protein kinase phosphatase-1 (MKP-1). NSC 95397 suppresses proliferation and induces apoptosis in colon cancer cells through MKP-1 and ERK1/2 pathway[1].

  • CAS Number: 93718-83-3
  • MF: C14H14O4S2
  • MW: 310.39
  • Catalog: Phosphatase
  • Density: 1.46g/cm3
  • Boiling Point: 499.2ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 255.7ºC

A-908292

A-908292 is a highly potent and selective acetyl-CoA carboxylase 2 (ACC2) inhibitor with IC50 of 38 nM (hACC2), no activity against ACC1 (IC50>30 uM).

  • CAS Number: 903886-95-3
  • MF: C18H20N2O4S
  • MW: 360.428
  • Catalog: Acetyl-CoA Carboxylase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Manoalide

Manoalide is a potent Phospholipase A2 (PLA2) and Phospholipase C (PLC) inhibitor. Manoalide, a sesterpenoid compound, displays anti-inflammatory and antibacterial activities[1][2][3].

  • CAS Number: 75088-80-1
  • MF: C25H36O5
  • MW: 416.550
  • Catalog: Bacterial
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 609.6±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 203.3±25.0 °C

Milrinone

Milrinone is a PDE3 inhibitor, and also an inotrope and vasodilator.

  • CAS Number: 78415-72-2
  • MF: C12H9N3O
  • MW: 211.219
  • Catalog: Phosphodiesterase (PDE)
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 448.7±45.0 °C at 760 mmHg
  • Melting Point: >3000C
  • Flash Point: 225.2±28.7 °C

BMS 493

BMS493 is an inverse pan-retinoic acid receptor (RAR) agonist. BMS493 increases nuclear corepressor interaction with RARs. BMS493 also could prevent retinoic acid-induced differentiation[1][2].

  • CAS Number: 215030-90-3
  • MF: C29H24O2
  • MW: 404.50000
  • Catalog: RAR/RXR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Indisulam

Indisulam (E 7070) is a carbonic anhydrase inhibitor and a G1-targeting agent. Indisulam causes a blockade in the G1/S transition through inhibition of the activation of both cyclin-dependent kinase 2 (CDK2) and cyclin E. Shows anti-tumor activity in human colon and lung cancer cells[1][2].

  • CAS Number: 165668-41-7
  • MF: C14H12ClN3O4S2
  • MW: 385.846
  • Catalog: Carbonic Anhydrase
  • Density: 1.7±0.1 g/cm3
  • Boiling Point: 668.9±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 358.4±34.3 °C

carboxypeptidase w

Carboxypeptidase C is a carboxypeptidase, is often used in biochemical studies. Carboxypeptidase C removes COOH-terminal lysine, arginine, and proline, as well as all other neutral, aliphatic, aromatic, and the acidic protein amino acids of a peptide chain[1].

  • CAS Number: 9046-67-7
  • MF:
  • MW:
  • Catalog: Carboxypeptidase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

ATX inhibitor 20

ATX inhibitor 20 (compound 24) is a potent ATX (autotaxin) inhibitor, with an IC50 of 2.3 nM[1].

  • CAS Number: 2691937-03-6
  • MF: C31H34FN5O3
  • MW: 543.63
  • Catalog: Phosphodiesterase (PDE)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

3-(2,4-Dihydroxyphenyl)propionic acid

3-(2,4-Dihydroxyphenyl)propanoic acid (DPPacid) is a potent and competitive tyrosinase inhibitor, inhibits L-Tyrosine and DL-DOPA with an IC50 and a Ki of 3.02 μM and 11.5 μM, respectively[1].

  • CAS Number: 5631-68-5
  • MF: C9H10O4
  • MW: 182.173
  • Catalog: Tyrosinase
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 418.0±14.0 °C at 760 mmHg
  • Melting Point: 158-162ºC
  • Flash Point: 220.8±16.6 °C

SBP1 peptide

SBP1 peptide is a chemically synthesized 23-mer peptide fragment of the ACE2 PD α1 helix. SBP1 peptide associates with micromolar affinity to insect-derived SARS-CoV-2-RBD protein [1].

  • CAS Number: 2416761-69-6
  • MF: C127H184N30O42
  • MW: 2803.00
  • Catalog: SARS-CoV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

19 alpha-Hydroxyasiatic acid

19α-Hydroxyasiatic acid, a natural triterpenoid, possesses anti-elastase activity[1].

  • CAS Number: 70868-78-9
  • MF: C30H48O6
  • MW: 504.70
  • Catalog: Elastase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: 283℃
  • Flash Point: N/A

Pitavastatin sodium

Pitavastatin (NK-104) sodium is a potent hydroxymethylglutaryl-CoA (HMG-CoA) reductase inhibitor. Pitavastatin sodium inhibits cholesterol synthesis from acetic acid with an IC50 of 5.8 nM in HepG2 cells. Pitavastatin sodium is an efficient hepatocyte low-density lipoprotein-cholesterol (LDL-C) receptor inducer. Pitavastatin sodium also possesses anti-atherosclerotic, anti-asthmatic, anti-osteoarthritis, antineoplastic, neuroprotective, hepatoprotective and reno-protective effects[1][2][3][8].

  • CAS Number: 574705-92-3
  • MF: C25H23FNNaO4
  • MW: 443.44300
  • Catalog: Apoptosis
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Z-Gly-Pro-Phe-Leu-CHO

Z-Gly-Pro-Phe-Leu-CHO (Z-GPFL-CHO) is a tetrapeptide aldehyde that acts as a highly selective and potent proteasomal inhibitor (Ki = 1.5 µM for branched chain amino acid preferring, 2.3 µM for small neutral amino acid preferring, and 40.5 µM for chymotrypsin-like activities; IC50 = 3.1 µM for peptidyl-glutamyl peptide hydrolyzing activity)[1].

  • CAS Number: 159659-05-9
  • MF: C30H38N4O6
  • MW: 550.65
  • Catalog: Proteasome
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

MDL 101146

MDL 101146 is an orally active neutrophil elastase inhibitor. MDL 101146 inhibits neutrophil elastase for human with a Ki value of 25 nM. MDL 101146 can be used for the research of arthritis[1][2].

  • CAS Number: 149859-17-6
  • MF: C29H37F5N4O6
  • MW: 632.61900
  • Catalog: Elastase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

C25-140

C25-140, a first-in-class TRAF6-Ubc13 inhibitor, directly binds to TRAF6, thereby blocks the interaction of TRAF6 with Ubc13 and as a consequence lowers TRAF6 activity. C25-140 expands studying the impact of the ubiquitin system on immune signaling and underscores the importance of TRAF6 E3 ligase activity in psoriasis and rheumatoid arthritis (RA)[1].

  • CAS Number: 1358099-18-9
  • MF: C26H31N7O
  • MW: 457.57
  • Catalog: TNF Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

pythiDC

PythiDC is a selective collagen prolyl 4-hydroxylase (CP4H1) inhibitor with an IC50 value of 4.0 μM. PythiDC can be used as a CP4H probe and also can be used for the development of a new class of antifibrotic and antimetastatic agents[1].

  • CAS Number: 1821370-71-1
  • MF: C10H6N2O4S
  • MW: 250.23
  • Catalog: MMP
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Sophora-iso-flavone A

Sophoraisoflavone A (Allolicoisoflavone B) is a nature product that could be isolated from Glycyrrhiza inflate. Sophoraisoflavone A is a potent protein tyrosine phosphatase 1B (PTP1B) inhibitor with an IC50 value of 0.80 μM. Sophoraisoflavone A can be used in research of inflammation[1].

  • CAS Number: 117204-81-6
  • MF: C20H16O6
  • MW: 352.34
  • Catalog: Phosphatase
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 611.2±55.0 °C at 760 mmHg
  • Melting Point: 235-237℃
  • Flash Point: 223.9±25.0 °C

Nampt-IN-5

Nampt-IN-5 is a potent and orally active nicotinamide phosphoribosyltransferase (NAMPT) inhibitor. Nampt-IN-5 inhibits CYP3A4 activity and has cellular IC50s of 0.7 nM and 3.9 nM against A2780 and COR-L23, respectively[1].

  • CAS Number: 2380013-17-0
  • MF: C25H25N5O2
  • MW: 427.50
  • Catalog: Nampt
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Skp2 inhibitor 2

Skp2 inhibitor 2 (14f) is an inhibitor of F-box protein S-phase kinase-associated protein 2 (Skp2), with an IC50 value of 10.2 μM (Skp2-Cks1). Skp2 is a part of cullin-RING ligases, which recruits and ubiquitinates substrates, involving in proteolytic and non-proteolytic process[1].

  • CAS Number: 2760612-77-7
  • MF: C27H32N4O
  • MW: 428.57
  • Catalog: E1/E2/E3 Enzyme
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Perindopril

Perindopril is a long-acting ACE inhibitor of which is used to treat high blood pressure, heart failure or stable coronary artery disease.Target: ACEPerindopril is a long-acting ACE inhibitor. It is used to treat high blood pressure, heart failure or stable coronary artery disease in form of perindopril arginine (trade names include Coversyl, Coversum) or perindopril erbumine (trade name Aceon). According to the Australian government's Pharmaceutical Benefits Scheme website, based on data provided to the Australian Department of Health and Aging by the manufacturer, perindopril arginine and perindopril erbumine are therapeutically equivalent and may be interchanged without differences in clinical effect. However the dose prescribed to achieve the same effect will differ due to different molecular weights for the two forms. Perindopril is one of the most prescribed inhibitors of angiotensin converting enzyme, has a large evidence base, which allows to use it in patients with hypertension, diabetes mellitus type 2, coronary heart disease and chronic heart failure. In this review, the author focused on the evidence of organoprotecting properties of perindopril that lie outside lowering blood pressure.

  • CAS Number: 82834-16-0
  • MF: C19H32N2O5
  • MW: 368.468
  • Catalog: Angiotensin-converting Enzyme (ACE)
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 537.4±45.0 °C at 760 mmHg
  • Melting Point: 100-101°C
  • Flash Point: 278.8±28.7 °C

Microcystin RR

Microcystin-RR (Cyanoviridin RR) is a potent and orally active protein phosphatase inhibitor. Microcystin-RR induces Apoptosis and ER stress in mice liver[1][2].

  • CAS Number: 111755-37-4
  • MF: C49H75N13O12
  • MW: 1038.200
  • Catalog: Apoptosis
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: 11 °C

PF-06424439

PF-06424439 is an oral, potent and selective imidazopyridine diacylglycerol acyltransferase 2 (DGAT2) inhibitor with an IC50 of 14 nM[1]. PF-06424439 is slowly reversible, time-dependent inhibitor, which inhibits DGAT2 in a noncompetitive mode with respect to the acyl-CoA substrate[2].

  • CAS Number: 1469284-78-3
  • MF: C22H26ClN7O
  • MW: 439.94
  • Catalog: Acyltransferase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

TD-0212 TFA

TD-0212 TFA is an orally active dual pharmacology angiotensin II type 1 receptor (AT1) antagonist and neprilysin (NEP) inhibitor, with a pKi of 8.9 for AT1 and a pIC50 of 9.2 for NEP[1].

  • CAS Number: 1073549-11-7
  • MF: C30H35F4N3O6S
  • MW: 641.67
  • Catalog: Angiotensin Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

GSK837149A

GSK837149A is a selective inhibitor of human Fatty Acid Synthase (FASN) targeting the KR domain. GSK837149A has reversible inhibition effect on FASN and selectivity for type I FASN (Ki=30 nM). GSK837149A is also a competitive inhibitor of NADPH and a non-competitive inhibitor of acetoacetyl-CoA. GSK837149A can be used for the research of obesity and breast cancer[1][2].

  • CAS Number: 13616-29-0
  • MF: C23H22N8O5S2
  • MW: 554.60100
  • Catalog: Fatty Acid Synthase (FAS)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Roflumilast N-oxide

Roflumilast N-oxide is a PDE type 4 inhibitor.

  • CAS Number: 292135-78-5
  • MF: C17H14Cl2F2N2O4
  • MW: 419.207
  • Catalog: Phosphodiesterase (PDE)
  • Density: 1.6±0.1 g/cm3
  • Boiling Point: 519.7±50.0 °C at 760 mmHg
  • Melting Point: 181 °C
  • Flash Point: 268.1±30.1 °C

LXRβ agonist-3

LXRβ agonist-3 (compound 4-13) is a potent and selective LXRβ (liver X receptor β) agonist, with an EC50 of 0.095 μM. LXRβ agonist-3 efficiently inhibits U87EGFRvIII cell, with an IC50 of 3.75 μM. LXRβ agonist-3 shows antitumor activity, and can inhibit glioblastoma[1].

  • CAS Number: 2413308-63-9
  • MF: C30H33N3O6S
  • MW: 563.66
  • Catalog: LXR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Pradefovir mesylate

Pradefovir mesylate is a good substrate for liver CYP3A4. Pradefovir is converted to 9-(2-phosphonylmethoxyethyl)adenine (PMEA) in human liver microsomes with a Km of 60 μM.

  • CAS Number: 625095-61-6
  • MF: C18H23ClN5O7PS
  • MW: 519.89600
  • Catalog: Cytochrome P450
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

NEP-IN-2

NEP-IN-2 is an inhibitor of neutral endopeptidase, used in the research of proliferation in atherosclerosis, restenosis.

  • CAS Number: 145775-14-0
  • MF: C16H23NO3S2
  • MW: 341.48900
  • Catalog: Neprilysin
  • Density: 1.204g/cm3
  • Boiling Point: 603ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 318.5ºC

L-690,330

L-690330 is a competitive inhibitor of inositol monophosphatase (IMPase) with a Kis of 0.27 and 0.19 μM for recombinant human and bovine IMPase, 0.30 and 0.42 μM for human and bovine frontal cortex IMPase, respectively, exhibits 10-fold more sensitive than mouse and rat IMPase[1].

  • CAS Number: 142523-38-4
  • MF: C8H12O8P2
  • MW: 298.12400
  • Catalog: Phosphatase
  • Density: 1.787g/cm3
  • Boiling Point: 696.9ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 375.3ºC

Tamibarotene

Tamibarotene is a retinoic acid receptor α/β (RARα/β) agonist, showing high selectivity over RARγ.

  • CAS Number: 94497-51-5
  • MF: C22H25NO3
  • MW: 351.439
  • Catalog: RAR/RXR
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 449.6±45.0 °C at 760 mmHg
  • Melting Point: 231-232ºC
  • Flash Point: 225.7±28.7 °C