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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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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Suc-Arg-Pro-Phe-His-Leu-Leu-Val-Tyr-AMC trifluoroacetate salt

Suc-Arg-Pro-Phe-His-Leu-Leu-Val-Tyr-AMC (Renin Substrate I) is a renin substrate[1]

  • CAS Number: 76524-84-0
  • MF: C66H88N14O14
  • MW: 1301.49000
  • Catalog: Renin
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

RA190

RA190, a bis-benzylidine piperidon, inhibits proteasome function by covalently binding to cysteine 88 of ubiquitin receptor RPN13.

  • CAS Number: 1617495-03-0
  • MF: C28H23Cl5N2O2
  • MW: 596.76
  • Catalog: Proteasome
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

hDHODH-IN-9

hDHODH-IN-9 (Compound 3k) is a potent inhibitor of hDHODH with an IC50 of 0.34 μM. hDHODH-IN-9 demonstrates high cytotoxic activity against MCF-7 and A375 cells and good selectivity. hDHODH-IN-9 has the potential for the research of cancer diseases[1].

  • CAS Number: 133676-47-8
  • MF: C21H21NO4
  • MW: 351.40
  • Catalog: Lactate Dehydrogenase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

rac-Sitagliptin

(Rac)-Sitagliptin is an isoform of Sitagliptin (HY-13749), which is a potent and orally active inhibitor of DPP4 with an IC50 of 19 nM in Caco-2 cell extracts[1].

  • CAS Number: 823817-56-7
  • MF: C16H15F6N5O
  • MW: 407.31
  • Catalog: Autophagy
  • Density: 1.6±0.1 g/cm3
  • Boiling Point: 529.9±60.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 274.3±32.9 °C

IDD388

IDD388 is a potent aldose reductase (ALR2 or AKR1B1) inhibitor with IC50 of 0.4 uM, shows weak inhibition for AKR1B10 (IC50=4.4 uM).

  • CAS Number: 314297-26-2
  • MF: C16H12BrClFNO4
  • MW: 416.627
  • Catalog: Aldose Reductase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Moexipril

Moexipril is an orally active and potent angiotensin-converting enzyme (ACE) inhibitor. Moexipril can readily penetrate lipid membranes and thus target plasma and tissue ACE. Moexipril may improve endothelial dysfunction and exert neuroprotective effects. Moexipril can used for cardiovascular disease research[1][2].

  • CAS Number: 103775-10-6
  • MF: C27H34N2O7
  • MW: 498.57
  • Catalog: Angiotensin-converting Enzyme (ACE)
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 709.3±60.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 382.8±32.9 °C

PF 04937319

PF-04937319 is a glucokinase activator (GKA) with EC50 value of 154.4  μM, one of the most promising strategies for the treatment of type 2 diabetes mellitus[1].PF-04937319 is designed to maintain glucose-lowering efficacy while mitigating the risk of hypoglycaemia observed with many other GKAs[2].

  • CAS Number: 1245603-92-2
  • MF: C22H20N6O4
  • MW: 432.432
  • Catalog: Glucokinase
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

fluazifop-P-butyl

Fluazifop-P-butyl, a graminicide from arylophenoxypropionate group, is a acetyl-CoA carboxylase (ACCase) inhibitor[1].

  • CAS Number: 79241-46-6
  • MF: C19H20F3NO4
  • MW: 383.362
  • Catalog: Acetyl-CoA Carboxylase
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 436.0±45.0 °C at 760 mmHg
  • Melting Point: 5ºC
  • Flash Point: 217.5±28.7 °C

PF-04929113(SNX-5422)

SNX-5422 (PF-04929113), a prodrug of SNX-2112, is an orally active Hsp90 inhibitor, with a Kd of 41 nM, and also induces Her-2 degradation, with an IC50 of 37 nM.

  • CAS Number: 908115-27-5
  • MF: C25H30F3N5O4
  • MW: 521.532
  • Catalog: HSP
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 646.5±55.0 °C at 760 mmHg
  • Melting Point: 298-299℃
  • Flash Point: 344.8±31.5 °C

NF 1819

MGL-IN-1 is a potent and selective irreversible MGL (β-lactam-based monoacylglycerol lipase) inhibitor. MGL-IN-1 alleviates symptoms in a MS model in vivo and exhibits analgesic effects in an acute inflammatory pain model in vivo. MGL-IN-1 displays high membrane permeability and brain penetrant[1].

  • CAS Number: 1881244-28-5
  • MF: C24H22FN5O4
  • MW: 463.46
  • Catalog: MAGL
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 660.5±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 353.2±34.3 °C

BMT-297376

BMT-297376, the optimized Linrodostat, is a potent IDO1 inhibitor[1].

  • CAS Number: 2251031-81-7
  • MF: C23H29F2N3O3
  • MW: 433.49
  • Catalog: Indoleamine 2,3-Dioxygenase (IDO)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Glutaryl-Gly-Arg-AMC hydrochloride salt

Glutaryl-Gly-Arg-AMC is a peptide substrate of urokinase plasminogen activator (uPA)[1].

  • CAS Number: 65147-16-2
  • MF: C10H14ClN
  • MW: 183.67800
  • Catalog: PAI-1
  • Density: 1.45g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Dorzagliatin

Dorzagliatin (HMS5552), a dual-acting glucokinase (GK) activator, improves glycaemic control and pancreatic β-cell function in type 2 diabetes[1].

  • CAS Number: 1191995-00-2
  • MF: C22H27ClN4O5
  • MW: 462.927
  • Catalog: Glucokinase
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 761.7±60.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 414.5±32.9 °C

2-Ketoglutaric acid-d6

2-Ketoglutaric acid-d6 is the deuterium labeled 2-Ketoglutaric acid[1]. 2-Ketoglutaric acid (Alpha-Ketoglutaric acid) is an intermediate in the production of ATP or GTP in the Krebs cycle. 2-Ketoglutaric acid also acts as the major carbon skeleton for nitrogen-assimilatory reactions. 2-Ketoglutaric acid is a reversible inhibitor of tyrosinase (IC50=15 mM)[2].

  • CAS Number: 1173021-86-7
  • MF: C5D6O5
  • MW: 152.13500
  • Catalog: Tyrosinase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

FASN-IN-2

FASN-IN-2 is a Fatty Acid Synthase (FASN) inhibitor extracted from patent WO2012122391A1, compound 152, has an IC50 of 0.052 μM and an EC50 of 0.072 μM[1].

  • CAS Number: 1399177-37-7
  • MF: C27H29N5O
  • MW: 439.55
  • Catalog: Fatty Acid Synthase (FAS)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Nampt activator-3

NAMPT activator-3, a NAT derivative, is a NAMPT activator with an EC50 of 2.6 μM and a KD of 132 nM. NAMPT activator-3 effectively protects cultured cells from FK866 (HY-50876)-mediated toxicity. NAMPT activator-3 exhibits strong neuroprotective efficacy in a chemotherapy-induced peripheral neuropathy (CIPN) mouse model without any overt toxicity[1].

  • CAS Number: 2790481-63-7
  • MF: C19H20N2O3
  • MW: 324.37
  • Catalog: Nampt
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Col 003

Col003 is a potent inhibitor of Hsp47, competitively binds to the collagen binding site on Hsp47 (IC50, 1.8 μM), and inhibits collagen secretion by destabilizing the collagen triple helix[1].

  • CAS Number: 328565-16-8
  • MF: C14H11NO4
  • MW: 257.24
  • Catalog: HSP
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Borapetoside E

Borapetoside E can be isolated from T. crispa. Borapetoside E improves hyperglycemia, insulin resistance, hepatic steatosis, hyperlipidemia, and oxygen consumption in obese mice. Borapetoside E also inhibits SREBPs expression in the liver and adipose tissue[1].

  • CAS Number: 151200-49-6
  • MF: C27H36O11
  • MW: 536.568
  • Catalog: Fatty Acid Synthase (FAS)
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 711.1±60.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 383.9±32.9 °C

D-Tyrosine-d4

D-Tyrosine-d4 is the deuterium labeled D-Tyrosine. D-Tyrosine is the D-isomer of tyrosine. D-Tyrosine negatively regulates melanin synthesis by inhibiting tyrosinase activity. D-Tyrosine inhibits biofilm formation and trigger the self-dispersal of biofilms without suppressing bacterial growth[1][2].

  • CAS Number: 944386-47-4
  • MF: C9H7D4NO3
  • MW: 185.21
  • Catalog: Tyrosinase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

8-(2-Octyl-1-cyclopropen-1-yl)octanoic acid

Sterculic acid is a stearoyl-CoA desaturase-1 (SCD1) inhibitor. Sterculic acid specifically inhibits the delta-9 desaturase (Δ9D) activity with an IC50 value of 0.9 μM[1].

  • CAS Number: 738-87-4
  • MF: C19H34O2
  • MW: 294.472
  • Catalog: Stearoyl-CoA Desaturase (SCD)
  • Density: 0.9±0.1 g/cm3
  • Boiling Point: 418.7±24.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 315.4±18.0 °C

HIV-1 protease-IN-2

HIV-1 protease-IN-2 is a potent HIV-1 protease inhibitor with an IC50 of 2.53 nM. HIV-1 protease-IN-2 shows antiviral activity against DRV (Darunavir)-sensitive or DRV-resistant HIV-1 variants[1].

  • CAS Number: 2248124-46-9
  • MF: C27H34N4O7S
  • MW: 558.65
  • Catalog: HIV Protease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

DHODH-IN-11

DHODH-IN-11 (Compound 14b) is a Leflunomide derivative and a weak dihydroorotate dehydrogenase (DHODH) inhibitor with a pKa of 5.03[1].

  • CAS Number: 1263303-95-2
  • MF: C15H11N3O2
  • MW: 265.27
  • Catalog: DNA/RNA Synthesis
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Cytochalasin A

Cytochalasin A is a cell-permeable fungal toxin that is an oxidized derivative of cytochalasin B. Cytochalasin A is an inhibitor of HIV-1 protease (IC50=3 μM) and inhibits actin polymerization and interferes with microtubule assembly by reacting with sulfhydryl groups. Antibiotic and fungicidal activitives[1][2].

  • CAS Number: 14110-64-6
  • MF: C29H35NO5
  • MW: 477.592
  • Catalog: HIV Protease
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 725.1±60.0 °C at 760 mmHg
  • Melting Point: 147 to 148'ºC
  • Flash Point: 392.3±32.9 °C

20S Proteasome-IN-3

20S Proteasome-IN-3 is a 20S proteasome β5 subunit inhibitor (IC50=1.64 μM)[1][2]. 20S Proteasome-IN-3 shows anti-tumor proliferation activity[2].

  • CAS Number: 1803040-07-4
  • MF: C34H43N3O8
  • MW: 621.72
  • Catalog: Proteasome
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Licoflavone A

Licoflavone A is a flavonoid isolated from the roots of Glycyrrhiza uralensis, inhibits protein tyrosine phosphatase-1B (PTP1B), with an IC50 of 54.5 μM[1].

  • CAS Number: 61153-77-3
  • MF: C20H18O4
  • MW: 322.35500
  • Catalog: Phosphatase
  • Density: 1.279±0.06 g/cm3(Predicted)
  • Boiling Point: 551.1±50.0 °C(Predicted)
  • Melting Point: N/A
  • Flash Point: N/A

Itraconazole-d9

Itraconazole-d9 is the deuterium labeled Itraconazole[1]. Itraconazole (R51211) is a triazole antifungal agent and a potent and orally active Hedgehog (Hh) signaling pathway antagonist with an IC50 of ~800 nM. Itraconazole potently inhibits lanosterol 14α-demethylase (cytochrome P450 enzyme), thereby inhibits the oxidative conversion of lanosterol to ergosterol. Itraconazole has anticancer and antiangiogenic effects. Itraconazole is a oxysterol-binding protein (OSBP) inhibitor[2][3][4][5].

  • CAS Number: 1309272-50-1
  • MF: C35H29D9Cl2N8O4
  • MW: 714.69
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

GS143

GS143 is a selec­tive IκBα ubiquitination inhibitor with an IC50 of 5.2 μM for SCFβTrCP1-mediated IκBα ubiquitylation. GS143 sup­presses NF-κB acti­va­tion and tran­scrip­tion of tar­get genes and does not inhibit proteasome activity. GS143 has anti-asthma effect[1][2].

  • CAS Number: 916232-21-8
  • MF: C28H19FN2O4
  • MW: 466.5
  • Catalog: E1/E2/E3 Enzyme
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

HDSF

AM 374 is an fatty acid amide hydrolase (FAAH) inhibitor. AM 374 inhibits amidase activity with an IC50 value of 13 nM. AM 374 can be used for the research of neurological disease[1][2].

  • CAS Number: 86855-26-7
  • MF: C16H33FO2S
  • MW: 308.49500
  • Catalog: FAAH
  • Density: 0.966g/cm3
  • Boiling Point: 388.3ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 188.6ºC

Tamoxifen

Tamoxifen is a selective estrogen receptor modulator (SERM) which blocks estrogen action in breast cells and can activate estrogen activity in other cells, such as bone, liver, and uterine cells.

  • CAS Number: 10540-29-1
  • MF: C26H29NO
  • MW: 371.515
  • Catalog: Apoptosis
  • Density: 1.0±0.1 g/cm3
  • Boiling Point: 482.3±33.0 °C at 760 mmHg
  • Melting Point: 97-98ºC
  • Flash Point: 140.0±27.7 °C

Tetrahydrocurcumin

Tetrahydrocurcumin is a Curcuminoid found in turmeric (Curcuma longa) that is produced by the reduction of Curcumin. Tetrahydrocurcumin inhibit CYP2C9 and CYP3A4.

  • CAS Number: 36062-04-1
  • MF: C21H24O6
  • MW: 372.412
  • Catalog: Autophagy
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 564.1±45.0 °C at 760 mmHg
  • Melting Point: 95-97ºC
  • Flash Point: 196.2±22.2 °C