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.


Anti-infection >
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Autophagy >
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15-PGDH 5 alpha Reductase 5-Lipoxygenase Acetyl-CoA Carboxylase Acyltransferase Adenosine Deaminase Adenosine Kinase Aldehyde Dehydrogenase (ALDH) Aldose Reductase Aminopeptidase Angiotensin-converting Enzyme (ACE) ATGL ATP Citrate Lyase Carbonic Anhydrase Carboxypeptidase Cathepsin CETP COMT Cytochrome P450 Dipeptidyl Peptidase Dopamine β-hydroxylase E1/E2/E3 Enzyme Elastase Enolase FAAH FABP Factor Xa Farnesyl Transferase Fatty Acid Synthase (FAS) FXR Glucokinase GSNOR Gutathione S-transferase HCV Protease Hexokinase HIF/HIF Prolyl-Hydroxylase HIV Integrase HIV Protease HMG-CoA Reductase (HMGCR) HSP Indoleamine 2,3-Dioxygenase (IDO) Isocitrate Dehydrogenase (IDH) Lactate Dehydrogenase LXR MAGL Mineralocorticoid Receptor Mitochondrial Metabolism MMP Nampt NEDD8-activating Enzyme Neprilysin PAI-1 PDHK PGC-1α Phosphatase Phosphodiesterase (PDE) Phospholipase Procollagen C Proteinase Proteasome Pyruvate Kinase RAR/RXR Renin ROR Ser/Thr Protease SGK Stearoyl-CoA Desaturase (SCD) Thrombin Tryptophan Hydroxylase Tyrosinase Xanthine Oxidase
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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

Nidufexor

Nidufexor is a farnesoid X receptor (FXR) agonist[1].

  • CAS Number: 1773489-72-7
  • MF: C27H22ClN3O4
  • MW: 487.93
  • Catalog: FXR
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 781.1±60.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 426.2±32.9 °C

Brecanavir

Brecanavir (GW640385) is a novel, potent HIV protease inhibitor.

  • CAS Number: 313682-08-5
  • MF: C33H41N3O10S2
  • MW: 703.82300
  • Catalog: HIV Protease
  • Density: 1.43g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Carbonic anhydrase inhibitor 14

Carbonic anhydrase inhibitor 14 (Compound 8b) is a carbonic anhydrase (CA) inhibitor with Ki values of 1203, 99.7, 9.4 and 27.7 nM against hCA I, hCA II, hCA IX and hCA XII, respectively. Carbonic anhydrase inhibitor 14 can also inhibit CDK2 with an IC50 of 20.3 μM. Carbonic anhydrase inhibitor 14 shows antitumor activity[1].

  • CAS Number: 2410402-75-2
  • MF: C18H17N7O2S
  • MW: 395.44
  • Catalog: CDK
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

3",8"-Binaringenin

Tetrahydroamentoflavone (Amentoflavanone) is a potent xanthine oxidase (XO) inhibitor. Tetrahydroamentoflavone has inhibitory activity for XO with IC50 and Ki values of 92 nM and 0.982 μM, respectively. Tetrahydroamentoflavone can be used for the research of inflammatory disorders and gout[1].

  • CAS Number: 48236-96-0
  • MF: C30H22O10
  • MW: 542.490
  • Catalog: Xanthine Oxidase
  • Density: 1.6±0.1 g/cm3
  • Boiling Point: 932.8±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 314.3±27.8 °C

BMS-309403

BMS-309403 is a potent, selective and cell-permeable inhibitor of fatty acid binding protein 4 (FABP4) with a Ki of less than 2 nM.

  • CAS Number: 300657-03-8
  • MF: C31H26N2O3
  • MW: 474.550
  • Catalog: FABP
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 657.5±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 351.4±31.5 °C

NAMPT/IDO1-IN-1

NAMPT/IDO1-IN-1 is an orally active dual inhibitor of NAMPT and IDO1 with IC50s of 57.7 nM and 233 nM, respectively. NAMPT/IDO1-IN-1 blocks NAD+ biosynthesis, inhibits proliferation and migration of Paclitaxel (HY-B0015)- and FK866 (HY-50876)-resistant NSCLC cell lines (A549/R cells). NAMPT/IDO1-IN-1 has shown antitumor effects in mice and enhanced A549/R cell sensitivity to paclitaxel[1].

  • CAS Number: 2247884-06-4
  • MF: C23H24BrFN8O3
  • MW: 559.39
  • Catalog: Indoleamine 2,3-Dioxygenase (IDO)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

MitoTam bromide, hydrobromide

MitoTam bromide, hydrobromide is a tamoxifen derivative[1], an electron transport chain (ETC) inhibitor, spreduces mitochondrial membrane potential in senescent cells and affects mitochondrial morphology[2].MitoTam bromide, hydrobromide is an effective anticancer agent, suppresses respiratory complexes (CI-respiration) and disrupts respiratory supercomplexes (SCs) formation in breast cancer cells[1][2]. MitoTam bromide, hydrobromide causes apoptosis[2].

  • CAS Number: 1634624-73-9
  • MF: C52H60Br2NOP
  • MW: 905.82
  • Catalog: Apoptosis
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Vildagliptin dihydrate

Vildagliptin (LAF237 dihydrate;NVP-LAF 237 dihydrate) is a dipeptidyl peptidase 4 (DPP4) inhibitor that delays the degradation of glucagon-like peptide-1 (GLP-1).

  • CAS Number: 2133364-01-7
  • MF: C17H29N3O4
  • MW: 339.43
  • Catalog: Dipeptidyl Peptidase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

BODIPY aminoacetaldehyde

BODIPY aminoacetaldehyde (BAAA) is a fluorescent substrate for both murine and human aldehyde dehydrogenase (ALDH). BODIPY aminoacetaldehyde consists of an aminoacetaldehyde moiety bonded to the BODIPY fluorochrome and can be used to label stem cells[1].

  • CAS Number: 247069-94-9
  • MF: C16H18BF2N3O2
  • MW: 333.14
  • Catalog: Aldehyde Dehydrogenase (ALDH)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

ML368

SR9186 (ML368) is a potent CYP3A4 inhibitor with IC50 s for inhibition of midazolam → 1′hydroxymidazolam, testosterone → 6β-hydroxytestosterone, and vincristine → vincristine M1 of 9, 4, and 38 nM, respectively. SR-9186 inhibits liver-stage development of P. falciparum to block ivermectin metabolism[1].

  • CAS Number: 1361414-26-7
  • MF: C26H18N6O
  • MW: 430.46100
  • Catalog: Cytochrome P450
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

MK 386

MK 386 (L-733692) is a selective 5-α-reductase I inhibitor, used for prostate cancer inhibition[1].

  • CAS Number: 158493-17-5
  • MF: C28H49NO
  • MW: 415.69
  • Catalog: 5 alpha Reductase
  • Density: 0.951g/cm3
  • Boiling Point: 505.2ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 203.9ºC

Fasidotril

Fasidotril is a dual inhibitor of neprilysin and angiotensin-converting enzyme (ACE) for the potential treatment of hypertension and congestive heart failure (CHF).

  • CAS Number: 135038-57-2
  • MF: C23H25NO6S
  • MW: 443.51300
  • Catalog: Angiotensin-converting Enzyme (ACE)
  • Density: 1.276g/cm3
  • Boiling Point: 625.3ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 332ºC

Ramipril

Ramipril is an angiotensin-converting enzyme (ACE) inhibitor with IC50 of 5 nM.Target: ACERamipril is an angiotensin-converting enzyme (ACE) inhibitor with IC50 of 5 nM [1]. Ramipril enhances the activity of ACE-associated CK2 and the phosphorylation of ACE Ser1270 in cultured endothelial cells, but is unable to activate JNK or stimulate the nuclear accumulation of c-Jun in endothelial cells expressing a S1270A ACE mutant or in ACE-deficient cells. Prolonged Ramipril treatment increases ACE expression in primary cultures of human endothelial cells and in vivo (mouse lung), which can be prevented by pretreatment with the JNK inhibitor SP600125 [2].Chronic in vivo administration of Ramipril to rats at a dosage that has similar hypotensive effects in vitro HUVECs significantly reduces the rate of LPS-induced apoptosis compared to the other ACE inhibitors, which contrasts with the apoptosis effect in vitro [3]. Ramipril inhibits systolic blood pressure (SBP) with IC50 of 1.97 mg/kg in spontaneously hypertensive rats (SHR). When in combination with AT1-receptor blockade by candesartan-cilexetil increases SBP reduction synergistically rather than additively [4].

  • CAS Number: 87333-19-5
  • MF: C23H32N2O5
  • MW: 416.511
  • Catalog: Angiotensin-converting Enzyme (ACE)
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 616.2±55.0 °C at 760 mmHg
  • Melting Point: 106-108°C
  • Flash Point: 326.4±31.5 °C

Isoliquiritin apioside

Isoliquiritin apioside, a component isolated from Glycyrrhizae radix rhizome, significantly decreases PMA-induced increases in MMP9 activities and suppresses PMA-induced activation of MAPK and NF-κB. Isoliquiritin apioside auppresseses invasiveness and angiogenesis of cancer cells and endothelial cells[1].

  • CAS Number: 120926-46-7
  • MF: C26H30O13
  • MW: 550.509
  • Catalog: p38 MAPK
  • Density: 1.6±0.1 g/cm3
  • Boiling Point: 901.0±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 301.9±27.8 °C

SQ 32970

SQ 32970 is a potent Endothia aspartic proteinase inhibitor.

  • CAS Number: 122280-12-0
  • MF: C33H51N5O4S
  • MW: 613.86
  • Catalog: Renin
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Sofigatran

Sofigatran (MCC-977) is an orally active factor IIa (thrombin) inhibitor, acts as an anticoagulant. Sofigatran is used for the research of cardiovascular disease[1].

  • CAS Number: 187602-11-5
  • MF: C24H44N4O4S
  • MW: 484.69600
  • Catalog: Thrombin
  • Density: 1.118
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Manusiran

Manusiran is a potent TMPRSS6 (transmembrane protease serine 6) synthesis reducer[1].

  • CAS Number: 2646704-10-9
  • MF: C434H570F19N145O270P40S10
  • MW: 14058.53
  • Catalog: Ser/Thr Protease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Pentoxifylline

Pentoxifylline is a competitive nonselective phosphodiesterase inhibitor.Target: PDEPentoxifylline is a competitive nonselective phosphodiesterase inhibitor which raises intracellular cAMP, activates PKA, inhibits TNF and leukotriene synthesis, and reduces inflammation and innate immunity. In addition, pentoxifylline improves red blood cell deformability, reduces blood viscosity and decreases the potential for platelet aggregation and thrombus formation. Pentoxifylline is also an antagonist at adenosine 2 receptors [1]. Pentoxifylline is generally well tolerated. Based on the totality of the available evidence, it is possible that pentoxifylline could have a place in the treatment of IC as a means of improving walking distance and as a complimentary treatment assuming all other essential measures such as lifestyle change, exercise and treatment for secondary prevention have been taken into account [2]. Pentoxifylline reduce AST and ALT levels and may improve liver histological scores in patients with NALFD/NASH, but did not appear to affect cytokines. Large, prospective, and well-designed randomized, controlled studies are needed to address this issue [3].

  • CAS Number: 6493-05-6
  • MF: C13H18N4O3
  • MW: 278.307
  • Catalog: Autophagy
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 531.3±56.0 °C at 760 mmHg
  • Melting Point: 98-100°C
  • Flash Point: 275.1±31.8 °C

CL-197

CL-197 is an orally active and long-acting purine anti-HIV nucleoside reverse transcriptase inhibitor (NRTI). CL-197 has potential effect on the research of viral, oncological and cerebrovascular diseases[1].

  • CAS Number: 1030595-07-3
  • MF: C12H11F2N5O3
  • MW: 311.24
  • Catalog: HIV Protease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

TDP1 Inhibitor-2

TDP1 Inhibitor-2 (compound 5) is a potent inhibitor for TDP1 (tyrosyl-DNA phosphodiesterase 1), with an IC50 of 99 nM. TDP1 Inhibitor-2 also can inhibit SCAN1 (spinocerebellar ataxia syndrome with axonal neuropathy), with an IC50 of 3.5 μM[1].

  • CAS Number: 859142-95-3
  • MF: C25H14Cl2O5
  • MW: 465.28
  • Catalog: Phosphodiesterase (PDE)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

AL-611

AL-611 is an HCV NS5B polymerase inhibitor (EC50 = 5 nM).

  • CAS Number: 1613591-70-0
  • MF: C25H33F2N6O8P
  • MW: 614.54
  • Catalog: HCV Protease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Fexaramine

Fexaramine is a small molecule farnesoid X receptor (FXR) agonist with 100-fold increased affinity relative to natural compounds. IC50 value:Target:in vitro: In vitro treatment of CDCA or fexaramine elevated the SHP transcript level and occupancy on secretin promoter [1]. Fexaramine significantly enhanced osteoblastic differentiation through the upregulation of Runx2 and enhanced extracellular signal-regulated kinase (ERK) and β-catenin signaling [2]. By mimicking this tissue-selective effect, the gut-restricted FXR agonist fexaramine (Fex) robustly induces enteric fibroblast growth factor 15 (FGF15), leading to alterations in BA composition, but does so without activating FXR target genes in the liver [3].

  • CAS Number: 574013-66-4
  • MF: C32H36N2O3
  • MW: 496.64000
  • Catalog: FXR
  • Density: 1.158g/cm3
  • Boiling Point: 677.7ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 363.7ºC

ACT001

ACT001 is an orally active PAI-1 inhibitor by inhibiting the phosphorylation of PI3K and AKT. ACT001 inhibits the phosphorylation of STAT3 and PD-L1 expression by directly binding to STAT3. ACT001, a fumarate salt form of DMAMCL (a prodrug of Micheliolide), can cross the blood-brain barrier. ACT001 has potent anti-glioblastoma (GBM) activity and immunomodulatory effects[1][2].

  • CAS Number: 1582289-91-5
  • MF: C21H31NO7
  • MW: 409.47
  • Catalog: Apoptosis
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

trans-4-phenylbut-3-en-2-one

trans-Benzylideneacetone (trans-Benzalacetone), a metabolite of gram-negative entomopathogenic bacterium Xenorhabdus nematophila, is an enzyme inhibitor against phospholipase A2 (PLA2). trans-Benzylideneacetone is an immunosuppressant[1].

  • CAS Number: 1896-62-4
  • MF: C10H10O
  • MW: 146.186
  • Catalog: Phospholipase
  • Density: 1.0±0.1 g/cm3
  • Boiling Point: 260.8±9.0 °C at 760 mmHg
  • Melting Point: 38.5-41ºC
  • Flash Point: 65.6±0.0 °C

Z-Arg-Arg-AMC hydrochloride salt

Z-Arg-Arg-AMC is a selective substrate of cathepsin B[1].

  • CAS Number: 88937-61-5
  • MF: C30H39N9O6
  • MW: 621.68700
  • Catalog: Cathepsin
  • Density: 1.41g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Daclatasvir (BMS-790052)

Daclatasvir is a potent HCV NS5A protein inhibitor, with mean EC50 values of 50 and 9 pM against genotype 1a and 1b replicons, respectively.

  • CAS Number: 1009119-64-5
  • MF: C40H50N8O6
  • MW: 738.875
  • Catalog: HCV
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 1071.2±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 601.7±34.3 °C

Retinoic acid-d6

Retinoic acid-d6 is the deuterium labeled Retinoic acid[1]. Retinoic acid is a metabolite of vitamin A that plays important roles in cell growth, differentiation, and organogenesis. Retinoic acid is a natural agonist of RAR nuclear receptors, with IC50s of 14 nM for RARα/β/γ. Retinoic acid bind to PPARβ/δ with Kd of 17 nM. Retinoic acid acts as an inhibitor of transcription factor Nrf2 through activation of retinoic acid receptor alpha[2][3][4][5][6][7].

  • CAS Number: 2483831-72-5
  • MF: C20H22D6O2
  • MW: 306.47
  • Catalog: Autophagy
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Hu7691

Hu7691 is an orally active, selective Akt inhibitor with IC50s of 4.0 nM, 97.5 nM, 28 nM for Akt1, Akt2 and Akt3, respectively. Hu7691 inhibits tumor growth and enables decrease of cutaneous toxicity in mice[1].

  • CAS Number: 2360523-76-6
  • MF: C22H22ClF3N4O
  • MW: 450.88
  • Catalog: ROCK
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

ALDH3A1-IN-2

ALDH3A1-IN-2 (Compound 19) is a potent inhibitor of ALDH3A1 with an IC50 of 1.29 μM. Aldehyde dehydrogenases (ALDHs) are overexpressed in various tumor types including prostate cancer. ALDH3A1-IN-2 has the potential for the research of cancer diseases[1].

  • CAS Number: 374635-48-0
  • MF: C11H14N2O3
  • MW: 222.24
  • Catalog: Aldehyde Dehydrogenase (ALDH)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A