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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NCT-501 hydrochloride

NCT-501 hydrochloride is a potent and selective theophylline-based inhibitor of aldehyde dehydrogenase 1A1 (ALDH1A1), inhibits hALDH1A1 with IC50 of 40 nM, typically shows better selectivity over other ALDH isozymes and other dehydrogenases (hALDH1B1, hALDH3A1, and hALDH2, IC50 >57 μM)[1][2].

  • CAS Number: 2080306-22-3
  • MF: C21H33ClN6O3
  • MW: 452.98
  • Catalog: Aldehyde Dehydrogenase (ALDH)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

FMK13918

CVT-11127 is a potent SCD inhibitor. CVT-11127 induces apoposis and arrests the cell cycle at the G1/S phase. CVT-11127 has the potential for the research of lung cancer[1].

  • CAS Number: 1018674-83-3
  • MF: C25H23Cl2N5O3
  • MW: 512.38800
  • Catalog: Apoptosis
  • Density: 1.39±0.1 g/cm3(Predicted)
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

BAY 73-6691 racemate

BAY 73-6691 racemate is a phosphodiesterase 9 inhibitor extracted from patent WO 2017070293 A1.

  • CAS Number: 794568-90-4
  • MF: C15H12ClF3N4O
  • MW: 356.73
  • Catalog: Phosphodiesterase (PDE)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Sevelamer hydrochloride

Sevelamer Hcl is a phosphate binding drug used to treat hyperphosphatemia in patients with chronic kidney disease; consists of polyallylamine that is crosslinked with epichlorohydrin.

  • CAS Number: 152751-57-0
  • MF: (C3H7N.C3H5ClO)x.xHCl
  • MW: 186.08 (monomer)
  • Catalog: FXR
  • Density: N/A
  • Boiling Point: 116.1ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 33.9ºC

Aristolochic acid C

Aristolochic acid C is a derivative of Aristolochic acid. Aristolochic acid is a phospholipase A2 (PLA2) inhibitor, which disrupts cortical microtubule arrays and root growth in Arabidopsis[1].

  • CAS Number: 4849-90-5
  • MF: C16H9NO7
  • MW: 327.245
  • Catalog: Phospholipase
  • Density: 1.7±0.1 g/cm3
  • Boiling Point: 658.7±55.0 °C at 760 mmHg
  • Melting Point: 287-292ºC
  • Flash Point: 352.1±31.5 °C

Tanshinone I

Tanshinone I is an inhibitor of type IIA human recombinant sPLA2 (IC50=11 μM) and rabbit recombinant cPLA2 (IC50=82 μM).

  • CAS Number: 568-73-0
  • MF: C18H12O3
  • MW: 276.286
  • Catalog: Phospholipase
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 498.0±24.0 °C at 760 mmHg
  • Melting Point: 233-234ºC
  • Flash Point: 245.9±15.6 °C

1-Naphthyl phosphate potassium salt

1-Naphthyl phosphate potassium salt is a non-specific phosphatase inhibitor. 1-Naphthyl phosphate potassium salt decreases the splice-correcting effect[1].

  • CAS Number: 100929-85-9
  • MF: C10H8KO4P
  • MW: 262.24000
  • Catalog: Phosphatase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Renin inhibitor-1

Renin inhibitor-1 (compound 26) is a potent and orally active renin inhibitor with IC50s of 0.9, 1.8 nM for rh-renin and hPRA, respectively. Renin inhibitor-1 shows antihypertensive efficacy. Renin inhibitor-1 has the potential for the research of hypertension and cardiovascular/renal diseases[1].

  • CAS Number: 1093082-54-2
  • MF: C22H30N4O4
  • MW: 414.50
  • Catalog: Renin
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

goralatide

N-Acetyl-Ser-Asp-Lys-Pro is a natural and specific substrate for the N-terminal site of ACE.

  • CAS Number: 127103-11-1
  • MF: C20H33N5O9
  • MW: 487.504
  • Catalog: Peptides
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 992.0±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 553.7±34.3 °C

hCAXII-IN-4

hCAXII-IN-4 (compound 5j) is a potent and selective CA XII inhibitor with an Ki value of 6.4 nM for human CA XII[1].

  • CAS Number: 2414601-79-7
  • MF: C22H27N5O6S
  • MW: 489.54
  • Catalog: Carbonic Anhydrase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

IDO1-IN-18

IDO1-IN-18 (Compound 14) is a potent inhibitor of IDO1. IDO1-IN-18 has the potential for the research of cancer diseases[1].

  • CAS Number: 2328099-08-5
  • MF: C23H18F4N2O3
  • MW: 446.39
  • Catalog: Indoleamine 2,3-Dioxygenase (IDO)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

BAY 1217224

BAY 1217224 is a neutral, non-prodrug Thrombin inhibitor with good oral pharmacokinetics.

  • CAS Number: 1639886-32-0
  • MF: C24H27ClFN3O5
  • MW: 491.94
  • Catalog: Thrombin
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

7-Benzyloxy-4-(trifluoromethyl)coumarin

7-Benzyloxy-4-(trifluoromethyl)coumarin (7-BFC) is a coumarin fluorescent substrate. 7-Benzyloxy-4-(trifluoromethyl)coumarin is a substrate for cDNA-expressed CYP1A2 and CYP3A4 and is metabolized to 7-hydroxy-4-trifluoromethylcoumarin (HFC). 7-Benzyloxy-4-(trifluoromethyl)coumarin is used for rapid CYP isoform metabolism and inhibition screening studies[1].

  • CAS Number: 220001-53-6
  • MF: C17H11F3O3
  • MW: 320.26300
  • Catalog: Cytochrome P450
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Shikonine

Shikonin is a major component of a Chinese herbal medicine named zicao. Shikonin has shown various biological activities, including inhibition of TNF-α, NF-κB, HIV-1.

  • CAS Number: 517-89-5
  • MF: C16H16O5
  • MW: 288.295
  • Catalog: TNF Receptor
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 567.4±50.0 °C at 760 mmHg
  • Melting Point: 147ºC
  • Flash Point: 311.0±26.6 °C

KU-177

KU-177 is a potent inhibitor of Hsp90 ATPase homologue 1 (Aha1), ablates Aha1-driven enhancement of Hsp90-dependent tau aggregation. KU-177 also disrupts Aha1/Hsp90 interactions (IC50=4.08 μM) without inhibition of Hsp90’s ATPase activity. KU-177 can be used for tauopathies research[1][2].

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

CDP-Star

CDP-Star is a chemiluminescent substrate for alkaline phosphatase. CDP-Star can be used for enzyme-linked immunoassays[1].

  • CAS Number: 160081-62-9
  • MF: C18H19Cl2Na2O7P
  • MW: 495.199
  • Catalog: Phosphatase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Osilodrostat

Osilodrostat (LCI699) is a potent inhibitor of human 11β-hydroxylase and aldosterone synthase with IC50 values of 2.5 and 0.7 nM, respectively.

  • CAS Number: 928134-65-0
  • MF: C13H10FN3
  • MW: 227.237
  • Catalog: Mineralocorticoid Receptor
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 433.8±45.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 216.2±28.7 °C

ALA-ALA-PHE-CHLOROMETHYLKETONE TFA

AAF-CMK is a TPPII (tripeptidylpeptidase II) inhibitor, shows anti-tumor activity and induces apoptosis. AAF-CMK can be used in leukemia research[1].

  • CAS Number: 102129-66-8
  • MF: C16H22ClN3O3
  • MW: 339.81700
  • Catalog: Apoptosis
  • Density: 1.215g/cm3
  • Boiling Point: 508.9ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 261.6ºC

10,11-Dehydrocurvularin

10,11-Dehydrocurvularin is a prevalent fungal phytotoxin and an antibiotic. 10,11-Dehydrocurvularin is a strong activator of the heat shock response. 10,11-Dehydrocurvularin inhibits TGF-β signalling pathway. Anti-tumorous activity[1][2].

  • CAS Number: 21178-57-4
  • MF: C16H18O5
  • MW: 290.31100
  • Catalog: HSP
  • Density: 1.225 g/cm3
  • Boiling Point: 576.3ºC at 760 mm
  • Melting Point: N/A
  • Flash Point: 216.7ºC

CB2R/FAAH modulator-3

CB2R/FAAH modulator-3 (compound 27) is a dual targeting modulator that acts as a CB2R agonist and FAAH inhibitor. The Ki values for CB2R/FAAH modulator-3 are 20.1 and 67.6 nM for CB2R and CB1R, respectively, and the IC50 value for FAAH is 3.4 μM. CB2R/FAAH modulator-3 can be used in studies related to cancer, deleterious inflammatory cascades occurring in neurodegenerative diseases, and COVID-19 infection[1].

  • CAS Number: 2876918-67-9
  • MF: C22H31NO2
  • MW: 341.49
  • Catalog: Cannabinoid Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

GSK864

GSK864 is an isocitrate dehydrogenase 1 (IDH1) mutant inhibitor; inhibits IDH1 mutants R132C, R132H, and R132G with IC50 values of 8.8, 15.2 and 16.6 nM.

  • CAS Number: 1816331-66-4
  • MF: C30H31FN6O4
  • MW: 558.603
  • Catalog: Isocitrate Dehydrogenase (IDH)
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 782.9±60.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 427.3±32.9 °C

Curcumenol

Curcumenol is one of constituents in the plants of medicinally important genus of Curcuma[1].

  • CAS Number: 19431-84-6
  • MF: C15H22O2
  • MW: 234.33
  • Catalog: Cytochrome P450
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 349.3±42.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 146.7±22.1 °C

2-(E-2-decenoylamino)ethyl 2-(cyclohexylethyl) sulfide

2-(E-2-decenoylamino)ethyl 2-(cyclohexylethyl) sulfide is a compound that inhibits stress-induced ulcer and low toxicity, and can maintain the content of phospholipase A2 and prostaglandin E2 in ulcerated rats induced by water immersed restrained stress.

  • CAS Number: 137089-36-2
  • MF: C20H37NOS
  • MW: 339.57900
  • Catalog: Prostaglandin Receptor
  • Density: 0.954g/cm3
  • Boiling Point: 503.3ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 258.2ºC

KML 29

KML29 is a potent and selective MAGL inhibitor with IC50 = 5.9, 15, and 43 nM in human, mouse, and rat brain proteomes, respectively.IC50 value: 15, 43, and 5.9 nM (mouse, rat, and human brain proteomes)Target: MAGLin vitro: KML29 potently and selectively inhibits MAGL with minimal cross-reactivity toward other central and peripheral serine hydrolases, including no detectable activity against FAAH.[1]in vivo: KML29 a potentially very useful tool to explore the consequences of inhibiting MAGL in the whole animal and in multiple species, and provides greater selectivity than JZL184 in inhibiting MAGL. [2]

  • CAS Number: 1380424-42-9
  • MF: C24H21F6NO7
  • MW: 549.417
  • Catalog: MAGL
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 554.8±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 289.3±30.1 °C

NMS-E973

NMS-E973 is a potent and selective inhibitor of HSP90. NMS-E973 binds to the ATP binding site of Hsp90α with a DC50 of <10 nM. NMS-E973 is able to cross the blood-brain barrier (BBB). Antitumor efficacy[1].

  • CAS Number: 1253584-84-7
  • MF: C22H22N4O7
  • MW: 454.43300
  • Catalog: HSP
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

AM 2394

AM-2394 is a structurally distinct glucokinase activator (GKA). AM-2394 activates glucokinase (GK) with an EC50 of 60 nM.

  • CAS Number: 1442684-77-6
  • MF: C22H25N5O4
  • MW: 423.47
  • Catalog: Glucokinase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

ONO-5334

A potent, selective, orally active inhibitor of cathepsin K with Ki of 0.1 nM, 0.049 nM and 0.85 nM for human, rabbit and rat cathepsin K, respectively; shows less or no potentcy for human cathepsin S/L/B/C (Ki=0.83/1.7/32/2500 nM); inhibits human osteoclasts bone resorption in vitro at a concentration more than 100 fold lower than that of alendronate; reduces plasma calcium level increased by PTHrP in thyroparathyroidectomized rats, decreases serum and urine C-telopeptide of type I collagen level. Osteoporosis Phase 2 Discontinued

  • CAS Number: 868273-90-9
  • MF: C21H34N4O4S
  • MW: 438.584
  • Catalog: Cathepsin
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Argatroban

Argatroban monohydrate is a direct, selective thrombin inhibitor.Target: ThrombinArgatroban may have a complementary effect for preventing thrombus formation without aggravating bleeding tendency because of its monotarget specificity to thrombin. Administration (0.5 to 2 micrograms/kg/min) of argatroban is a safe anticoagulant for left heart bypass in repairs of traumatic aortic rupture associated with multiple organ injuries [1]. Argatroban, as compared with heparin, appears to enhance reperfusion with TPA in patients with AMI, particularly in those patients with delayed presentation. The incidences of major bleeding and adverse clinical outcome were lower in the patients receiving argatroban [2].

  • CAS Number: 141396-28-3
  • MF: C23H38N6O6S
  • MW: 526.65
  • Catalog: Thrombin
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 801.3±75.0 °C at 760 mmHg
  • Melting Point: -41.5 °C
  • Flash Point: 438.4±37.1 °C

BI 1015550

BI 1015550 is an orally active inhibitor of PDE4B with an IC50 value of 7.2 nM. BI 1015550 has good safety and potential applications in inflammation, allergic diseases, pulmonary fibrosis, and chronic obstructive pulmonary disease (COPD)[1][2].

  • CAS Number: 1423719-30-5
  • MF: C20H25ClN6O2S
  • MW: 448.97
  • Catalog: Phosphodiesterase (PDE)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

m-3M3FBS

m-3M3FBS is a potent phospholipase C (PLC) activator. m-3M3FBS stimulates superoxide generation in human neutrophils, upregulates intracellular calcium concentration, and stimulates inositol phosphate generation in various cell lines. m-3M3FBS induces monocytic leukemia cell apoptosis[1][2][3].

  • CAS Number: 200933-14-8
  • MF: C16H16F3NO2S
  • MW: 343.36400
  • Catalog: Apoptosis
  • Density: 1.316g/cm3
  • Boiling Point: 420ºC at 760mmHg
  • Melting Point: 114-114.8ºC(lit.)
  • Flash Point: 207.8ºC