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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AR-7

AR7 is a retinoic acid receptor α (RARα) antagonist.

  • CAS Number: 80306-38-3
  • MF: C15H12ClNO
  • MW: 257.71500
  • Catalog: RAR/RXR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

5-Amino-8-hydroxyquinoline

5-Amino-8-hydroxyquinoline (5A8HQ), a potential anticancer candidate, has promising proteasome inhibitory activity.

  • CAS Number: 13207-66-4
  • MF: C9H8N2O
  • MW: 160.17300
  • Catalog: Proteasome
  • Density: 1.363g/cm3
  • Boiling Point: 408.3ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: N/A

6',7'-Dihydroxybergamottin

(R)-6',7'-Dihydroxybergamottin ((R)-6′,7′-DHB) is a competitive inhibitor of human and rat CYP1A1 activity with Kis of 55 μM and 1.72 μM, respectively. (R)-6',7'-Dihydroxybergamottin has the potential for cancer research[1].

  • CAS Number: 264234-05-1
  • MF: C21H24O6
  • MW: 372.412
  • Catalog: Cytochrome P450
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 578.2±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 303.5±30.1 °C

Sevelamer

Sevelamer 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: 52757-95-6
  • MF: C20H46N4O
  • MW: 358.61
  • Catalog: FXR
  • Density: N/A
  • Boiling Point: 116.1ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 33.9ºC

LHVS

LHVS is a potent, non-selective cysteine protease inhibitor[1]. LHVS effectively blocks T. gondii microneme protein secretion (IC50=10 μM), gliding motility, and cell invasion[2].

  • CAS Number: 170111-28-1
  • MF: C28H37N3O5S
  • MW: 527.68
  • Catalog: Parasite
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

BR1

PRL-3 Inhibitor I is a potent PRL-3 inhibitor with an IC50 of 0.9 μM. PRL-3 Inhibitor I shows a reduced invasion in cell-based assay[1].

  • CAS Number: 893449-38-2
  • MF: C17H11Br2NO2S2
  • MW: 485.21300
  • Catalog: Phosphatase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

FK706

FK706 is a potent, slow-binding and competitive inhibitor of human neutrophil elastase with an IC50 of 83 nM and a Ki of 4.2 nM. FK706 also inhibits mouse neutrophil elastase and porcine pancreatic elastase with IC50s of 22 nM and 100 nM, respectively, and has no inhibitory activity against other serine proteinases such as human pancreatic trypsin, human pancreatic α-chymotrypsin and human leukocyte cathepsin G. FK706 has anti-inflammatory effect[1][2].

  • CAS Number: 144055-55-0
  • MF: C26H32F3N4NaO7
  • MW: 592.54
  • Catalog: Elastase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

RORγt modulator 3

RORγt modulator 3 (Compound 23) is a modulator of retinoid-related orphan receptor γt (RORγt). RORγt modulator 3 can be used for the research of RORyt mediated diseases such as, e.g., pain, inflammation, COPD, asthma, rheumatoid arthritis, colitis, multiple sclerosis, psoriasis, neurodegenerative diseases and cancer[1].

  • CAS Number: 2230877-38-8
  • MF: C25H25ClFN3O4S
  • MW: 518.00
  • Catalog: ROR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Leptosin D

Leptosin D, a thiodiketopiperazine alkaloid, is a mushroom tyrosinase inhibitor, with an IC50 of 28.4 μM[1].

  • CAS Number: 159518-77-1
  • MF: C25H24N4O3S2
  • MW: 492.61
  • Catalog: Tyrosinase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

6,7-Dihydroxycoumarin-4-acetic Acid

6,7-Dihydroxy-4-coumarinylacetic acid is a potent and selective inhibitor of ALR2. 6,7-Dihydroxy-4-coumarinylacetic acid inhibits ALR2, SDH andALR1 with IC50s of 9.6, 288 and 66.3 μM, respectively. 6,7-Dihydroxy-4-coumarinylacetic acid clearly suppresses galactitol accumulation[1].

  • CAS Number: 88404-14-2
  • MF: C11H8O6
  • MW: 236.17800
  • Catalog: Aldose Reductase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: 230ºC
  • Flash Point: N/A

Nanterinone

Nanterinone (UK 61260) is a positive inotropic and arterial vasodilating agent. Nanterinone is a phosphodiesterase inhibitor[1].

  • CAS Number: 102791-47-9
  • MF: C15H15N3O
  • MW: 253.29900
  • Catalog: Phosphodiesterase (PDE)
  • Density: 1.24g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

hCAIX-IN-6

Compounds 6B and 14g showed significant inhibitory effect on tumor related subtype HCA IX with low nanomolar potency, while 6K was effective on HCA XII. Compounds 6B, 14g and 6K can be considered as the leading molecules for the development of future cancer therapeutic drugs based on new mechanisms of action.

  • CAS Number: 2451479-86-8
  • MF: C18H12N2O4S
  • MW: 352.36
  • Catalog: Carbonic Anhydrase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Evogliptin

Evogliptin (DA-1229) is an orally active DPP4 inhibitor with significant and sustained hypoglycaemic effects in mouse models. Evogliptin also inhibits the production of inflammatory and fibrotic signals in hepatocytes by inducing autophagy. Evogliptin can be used in studies of type 2 diabetes, osteoporosis, renal impairment and chronic liver inflammation[1][2][3][4].

  • CAS Number: 1222102-29-5
  • MF: C19H26F3N3O3
  • MW: 401.42300
  • Catalog: Autophagy
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Salicylanilide

Salicylanilide demonstrates a wide range of biological activities including antiviral potency which can inhibit HIV virus by targeting HIV-1 integrase or reverse transcriptase.

  • CAS Number: 87-17-2
  • MF: C13H11NO2
  • MW: 213.232
  • Catalog: HIV
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 294.3±23.0 °C at 760 mmHg
  • Melting Point: 136-138 °C(lit.)
  • Flash Point: 131.8±22.6 °C

Olumacostat glasaretil

Olumacostat glasaretil is a small molecule inhibitor of acetyl coenzyme A carboxylase (ACC).

  • CAS Number: 1261491-89-7
  • MF: C26H43NO7
  • MW: 481.622
  • Catalog: Acetyl-CoA Carboxylase
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 583.9±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 307.0±30.1 °C

Calpain-2-IN-1

Calpain-2-IN-1 is a calpain-2 selective inhibitor that enhances learning & memory by prolonging ERK activation.

  • CAS Number: 144231-85-6
  • MF: C28H37N3O7
  • MW: 527.61
  • Catalog: Proteasome
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

DJ001

DJ001 is a highly specific, selective and non-competitive protein tyrosine phosphatase-σ (PTPσ) inhibitor with an IC50 of 1.43 μM. DJ001 displays no inhibitory activity against other phosphatases, with only modest inhibitory activity against Protein Phosphatase 5. DJ001 promotes promote hematopoietic stem cell regeneration[1].

  • CAS Number: 2161305-12-8
  • MF: C15H12N2O3
  • MW: 268.27
  • Catalog: Phosphatase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Sitagliptin

Sitagliptin is a potent inhibitor of DPP4 with IC50 of 19 nM in Caco-2 cell extracts.

  • CAS Number: 486460-32-6
  • MF: C16H15F6N5O
  • MW: 407.314
  • 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

Dencichin

Dencichin is a non-protein amino acid originally extracted from Panax notoginseng, and can inhibit HIF-prolyl hydroxylase-2 (PHD-2) activity.

  • CAS Number: 5302-45-4
  • MF: C5H8N2O5
  • MW: 176.127
  • Catalog: HIF/HIF Prolyl-Hydroxylase
  • Density: 1.6±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Etesevimab

Etesevimab (JS016) is a recombinant neutralizing human IgG1 anti-SARS-CoV-2 monoclonal antibody[1].

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

Rosamultin

Rosamultin is a 19 α-hydroxyursane-type triterpenoid isolated from Potentilla anserina L. Rosamultin has inhibitory effects against HIV-1 protease[1]. Rosamultin has the potential for treating H2O2-induced oxidative stress injury through its antioxidant and antiapoptosis effects[2].

  • CAS Number: 88515-58-6
  • MF: C36H58O10
  • MW: 650.84000
  • Catalog: HIV Protease
  • Density: 1.31g/cm3
  • Boiling Point: 741.5ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 223.6ºC

Izilendustat

Izilendustat is a potent inhibitor of prolyl hydroxylase which can stabilize hypoxia inducible factor- 1 alpha (HIF- lα) and hypoxia inducible factor-2 (HIF-2). Izilendustat has the potential for researching diseases that relate to the body’s inmmune response like colitis and other inflammatory bowel diseases (extracted from patent WO2011057115A1 and WO2011057121A1)[1][1].

  • CAS Number: 1303512-02-8
  • MF: C22H28ClN3O4
  • MW: 433.93
  • Catalog: HIF/HIF Prolyl-Hydroxylase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

H-Pro-Thr-Glu-Phe-p-nitro-Phe-Arg-Leu-OH

H-Pro-Thr-Glu-Phe-p-nitro-Phe-Arg-Leu-OH is a water-soluble polypeptide that can serve as a substrate for cathepsin D, pepsin and pepsinogen. H-Pro-Thr-Glu-Phe-p-nitro-Phe-Arg-Leu-OH has potential applications in biochemical analysis[1][2].

  • CAS Number: 90331-82-1
  • MF: C44H63N11O13
  • MW: 954.04
  • Catalog: Cathepsin
  • Density: 1.45g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Flazin

Flazin is a non-enzymatic protein glycation inhibitor, also inhibits peroxynitrite (ONOO-), with an IC50 value of 85.31 μM for bovine serum albumin (BSA) glycation and an EC50 value of 71.99 μM for ONOO-. Flazin can be used for researching diabetes and neuronal disorders. Flazin also can used as a lipid droplet (LD) regulator against lipid disorders, and a xanthine oxidase (XOD) inhibitor[1][2][3].

  • CAS Number: 100041-05-2
  • MF: C17H12N2O4
  • MW: 308.28800
  • Catalog: NO Synthase
  • Density: 1.513g/cm3
  • Boiling Point: 657.1ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 351.2ºC

N-Benzyllinolenamide

N-​Benzyllinolenamide is a natural macamide isolated from Lepidium meyenii, acts as an inhibitor of fatty acid amide hydrolase (FAAH) with an IC50 of 41.8 μM[1].

  • CAS Number: 883715-18-2
  • MF: C25H37NO
  • MW: 367.56700
  • Catalog: FAAH
  • Density: 0.943±0.06 g/cm3 (20 ºC,760 mmHg), 计算值
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

HSP90-IN-13

HSP90-IN-13 (compound 5k) is a highly potent HSP90 pan inhibitor with an IC50 value of 25.07 nM. HSP90-IN-13 has multi-target activity against EGFR, VEGFR-2 and Topoisomerase-2. HSP90-IN-13 causes cell cycle arrest at G2/M phase and induces apoptosis of MCF-7 cells through mitochondrial-mediated pathway[1].

  • CAS Number: 2446055-29-2
  • MF: C26H21N5O3S
  • MW: 483.54
  • Catalog: Apoptosis
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

DHODH-IN-15

DHODH-IN-15 (Compound 7b) is a hydroxyfurazan analog of A771726. DHODH-IN-15 is a dihydroorotate dehydrogenase (DHODH) inhibitor with an IC50 of 11 μM for rat liver DHODH. DHODH-IN-15 can be used for rheumatoid arthritis[1].

  • CAS Number: 1364791-88-7
  • MF: C15H11N3O3
  • MW: 281.27
  • Catalog: DNA/RNA Synthesis
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Arimoclomol

Arimoclomol (BRX-220 free base) is a co-inducer of heat shock proteins (HSP).

  • CAS Number: 289893-25-0
  • MF: C14H20ClN3O3
  • MW: 314.78800
  • Catalog: HSP
  • Density: 1.32g/cm3
  • Boiling Point: 539.2ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 279.9ºC

2-Ketoglutaric acid-d4

2-Ketoglutaric acid-d4 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: 1381759-60-9
  • MF: C5H2D4O5
  • MW: 150.12
  • Catalog: Tyrosinase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

TAT-cyclo-CLLFVY TFA

TAT-cyclo-CLLFVY is a selective HIF-1 dimerization inhibitor. TAT-cyclo-CLLFVY blocks protein-protein interaction of recombinant HIF-1α, but not HIF-2α, with HIF-1β (IC50=1.3 μM). TAT-cyclo-CLLFVY inhibits hypoxia-induced HIF-1 activity, and decreases VEGF and CAIX expression in osteosarcoma and breast cancer cells in vitro. TAT-cyclo-CLLFVY also reduces tubularization of hypoxic HUVECs.

  • CAS Number: 1446322-66-2
  • MF: C116H176N32O33
  • MW: 2546.86
  • Catalog: HIF/HIF Prolyl-Hydroxylase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A