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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HIF-1 inhibitor-4

HIF-1 inhibitor-4 is a HIF-1 inhibitor (IC50: 560 nM). HIF-1 inhibitor-4 reduces the HIF-1α protein level without affecting its mRNA level[1].

  • CAS Number: 333357-56-5
  • MF: C18H19IN2O2
  • MW: 422.26013
  • Catalog: HIF/HIF Prolyl-Hydroxylase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

MMP-2 Inhibitor II

MMP-2 Inhibitor II (compound 2) is a selective MMP-2 inhibitor. The Kinetic parameters for MMP inhibition are 2.4 μM (MMP-2), 45 μM (MMP-1), and 379 μM (MMP-7), respectively[1].

  • CAS Number: 869577-51-5
  • MF: C16H17NO6S2
  • MW: 383.439
  • Catalog: MMP
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 591.7±60.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 311.6±32.9 °C

NG-497

NG-497 is a selective human adipose triglyceride lipase (ATGL) inhibitor that targets the enzymatically active patatin-like domain of human ATGL. NG-497 has potential value for tumor research[1].

  • CAS Number: 2598242-66-9
  • MF: C18H21NO4
  • MW: 315.36
  • Catalog: ATGL
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

NSC232003

NSC232003 is a highly potent and cell-permeable UHRF1 inhibitor, which inhibits DNA methylation in vitro and disrupts DNMT1/UHRF1 interactions at a cellular level.

  • CAS Number: 1905453-18-0
  • MF: C6H7N3O3
  • MW: 169.14
  • Catalog: E1/E2/E3 Enzyme
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

BAY-1436032

BAY-1436032 is a novel pan-mutant isocitrate dehydrogenase 1 (IDH1) inhibitor.

  • CAS Number: 1803274-65-8
  • MF: C26H30F3N3O3
  • MW: 489.53
  • Catalog: Isocitrate Dehydrogenase (IDH)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

VTP-27999

VTP-27999 is an alkyl amine Renin inhibitor; VTP-27999 is useful for Hypertension and End-Organ Diseases.Ic50 value:Target: Renin

  • CAS Number: 942142-51-0
  • MF: C26H41ClN4O5
  • MW: 525.08100
  • Catalog: Renin
  • Density: 1.178g/cm3
  • Boiling Point: 703.1ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 379ºC

Proteasome β2c/i-IN-1

Proteasome β2c/i-IN-1 (compound 37) is a subunit-selective human proteasome β2c and β2i inhibitor[1].

  • CAS Number: 2322333-75-3
  • MF: C32H48N4O7
  • MW: 600.75
  • Catalog: Proteasome
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Ro 28-1675

Ro 28-1675 (Ro 0281675) is a potent allosteric GK activator with a SC1.5 value of 0.24± 0.0019 uM. IC50 value: 0.24± 0.0019 uM (SC1.5) [1]Target: Glucokinase activatorThe R stereoisomer Ro 28-1675 activated GK with a SC1.5 of 0.24 uM, while the S isomer did not activated GK up to 10 uM. Oral administration of Ro 28-1675 (50 mg/Kg) to male C57B1/6J mice caused a statistically significant reduction in fasting glucose levels and improvement in glucose tolerance relative to the vehicle treated animals [1]. Comparison of rat PK parameters indicated that Ro 28-1675 displayed lower clearance and higher oral bioavailability compared to 9a. Following a single oral dose, Ro 28-1675 reduced fasting and postprandial glucose levels following an OGTT, was well tolerated, and displayed no adverse effects related to drug administration other than hypoglycemia at the maximum dose (400 mg). [1]

  • CAS Number: 300353-13-3
  • MF: C18H22N2O3S2
  • MW: 378.50900
  • Catalog: Glucokinase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

ALDH1A3-IN-1

ALDH1A3-IN-1 (Compound 14) is a potent ALDH1A3 inhibitor, with an IC50 of 0.63 µM and a Ki of 0.46 µM. ALDH1A3-IN-1 can be studied in prostate cancer[1].

  • CAS Number: 1695970-90-1
  • MF: C13H18BrNO
  • MW: 284.19
  • Catalog: Aldehyde Dehydrogenase (ALDH)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

2,6-Dimethylquinoline

2,6-Dimethylquinoline, a nature constituent from the roots of Peucedantu praeruptorum, is a CYP1A2 inhibitor with an IC50 of 3.3 µM. 2,6-Dimethylquinoline also inhibits CYP2B6 activity with an IC50 of 480 µM[1][2][3].

  • CAS Number: 877-43-0
  • MF: C11H11N
  • MW: 157.212
  • Catalog: Cytochrome P450
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 266.5±0.0 °C at 760 mmHg
  • Melting Point: 57-59 °C(lit.)
  • Flash Point: 106.5±11.3 °C

7-CHLORO-2-(PYRIDIN-3-YL)-3,4-DIHYDRONAPHTHALEN-1(2H)-ONE

SU 10603 is a specific inhibitor of P45017α (P450c17; CYP17A1)[1].

  • CAS Number: 786-97-0
  • MF: C15H12ClNO
  • MW: 257.71
  • Catalog: Cytochrome P450
  • Density: 1.275g/cm3
  • Boiling Point: 430.1ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 213.9ºC

WAY 170523

WAY-170523 is a potent and selective MMP-13 (matrix metalloproteinase-13) inhibitor, with an IC50 of 17 nM. WAY-170523 can directly attenuate ERK1/2 phosphorylation. WAY-170523 inhibits the invasion of PC-3 cells, can be used for prostate cancer research[1][2].

  • CAS Number: 307002-73-9
  • MF: C33H31N3O7S
  • MW: 613.68
  • Catalog: MMP
  • Density: 1.352g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

3-hydroxy-3-methylglutaric acid

Meglutol is an antilipemic agent which lowers cholesterol, triglycerides, serum beta-lipoproteins and phospholipids, and inhibits the activity of hydroxymethylglutarryl CoA reductases, which is the rate limiting enzyme in the biosynthesis of cholesterol.

  • CAS Number: 503-49-1
  • MF: C6H10O5
  • MW: 162.14100
  • Catalog: HMG-CoA Reductase (HMGCR)
  • Density: 1.417 g/cm3
  • Boiling Point: 120 °C / 13mmHg
  • Melting Point: 105-108 °C(lit.)
  • Flash Point: 182.2ºC

hCAIX-IN-5

hCAIX-IN-5 (compound 6b) is a potent and selective hCAIX inhibitor with KIs of >10000, >10000, 130.7, 829.1 nM for hCAI, hCAII, hCAIV, hCAIX, respectively[1].

  • CAS Number: 2451479-57-3
  • MF: C18H12FNO3
  • MW: 309.29
  • Catalog: Carbonic Anhydrase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

CCT 018159

CCT018159, a 3,4-diaryl pyrazoleresorcinol, is a ATP-competitive HSP90 ATPase activity inhibitor with IC50s of 3.2 and 6.6 µM for human Hsp90β and yeast Hsp90, respectively. CCT018159 caused cell cytostasis associated with a G1 arrest and induces apoptosis. CCT018159 inhibits key endothelial and tumor cell functions implicated in invasion and angiogenesis[1].

  • CAS Number: 171009-07-7
  • MF: C20H20N2O4
  • MW: 352.384
  • Catalog: Apoptosis
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 547.3±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 284.8±30.1 °C

Z-Leu-Leu-Tyr-α-keto aldehyde

Z-Leu-Leu-Tyr-COCHO is a potent chymotrypsin-like activity inhibitor with a Ki value of 3.0 nM[1].

  • CAS Number: 204649-66-1
  • MF: C30H39N3O7
  • MW: 553.65
  • Catalog: Proteasome
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 813.3±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 445.6±34.3 °C

ML228 analog

ML228 analog is an analog of ML228 (HY-12754). ML228 is a potent activator of HIF[1].

  • CAS Number: 1357026-36-8
  • MF: C25H25N5
  • MW: 395.50
  • Catalog: HIF/HIF Prolyl-Hydroxylase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

BAY-X 1005

Veliflapon (BAY X 1005; DG-031) is an orally active inhibitor of the synthesis of the leukotrienes B4 and C4[1]. Veliflapon is shown to be a selective inhibitor of the formation of 5-lipoxygenase-derived metabolites in vitro, without effects on other routes of arachidonic acid metabolism[2].

  • CAS Number: 128253-31-6
  • MF: C23H23NO3
  • MW: 361.43400
  • Catalog: Leukotriene Receptor
  • Density: 1.242g/cm3
  • Boiling Point: 555.4ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 289.7ºC

p5 Ligand for Dnak and DnaJ

p5 Ligand for Dnak and DnaJ is a nonapeptide, which corresponds to the main binding site for the 23-residue part of the presequence of mitochondrial aspartate aminotransferase. p5 Ligand for Dnak and DnaJ is a high-affinity ligand for DnaK and DnaJ[1].

  • CAS Number: 209518-24-1
  • MF: C44H81N15O11S
  • MW: 1028.27
  • Catalog: HSP
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

BMS-986339

BMS-986339 is an orally active, potent FXR agonist. BMS-986339 forms H-bond with His298 and ASN287 residues. BMS-986339 can be used in the research of primary biliary cirrhosis (PBC), primary sclerosing cholangitis (PSC), and nonalcoholic steatohepatitis (NASH), anti-fibrosis[1].

  • CAS Number: 2477873-64-4
  • MF: C35H41F4N3O4
  • MW: 643.71
  • Catalog: Cytochrome P450
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

LYP-IN-1

LYP-IN-1 is a potent, selective and specific LYP inhibitor with a Ki and an IC50 of 110 nM and 0.259 μM, respectively. LYP-IN-1 also has selectivity for a large panel of PTPs, such as SHP1 (IC50=5 μM) and SHP2 (IC50=2.5 μM). LYP-IN-1 exhibits highly efficacious cellular activity in T- and mast cells. LYP-IN-1 can be used for the study of autoimmune disorders[1].

  • CAS Number: 1404436-51-6
  • MF: C28H20ClNO6
  • MW: 501.91
  • Catalog: Phosphatase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Edoxaban-d6

Edoxaban-d6 is deuterium labeled Edoxaban. Edoxaban (DU-176) is a selective, potent and orally active factor Xa (FXa) inhibitor with Kis of 0.561 nM and 2.98 nM for free FXa and prothrombinase, respectively. Edoxaban is an anticoagulant agent and can be used for stroke prevention. Edoxaban is a also weak inhibitor of thrombin and factor IXaβ (FIXa), with Kis of 6.00 μM and 41.7 μM, respectively, exhibits >10 000-fold selectivity for FXa. Edoxaban has antithrombotic properties and has potential for thromboembolic diseases treatment[1][2][3].

  • CAS Number: 1304701-57-2
  • MF: C24H24D6ClN7O4S
  • MW: 554.09
  • Catalog: Factor Xa
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Xanthine oxidoreductase-IN-5

Xanthine oxidoreductase-IN-5 is an orally active xanthine oxidoreductase (XOR) inhibitor, with an IC50 of 55 nM. Xanthine oxidoreductase-IN-5 can be used for the research of acute hyperuricemia[1].

  • CAS Number: 1026652-90-3
  • MF: C17H17N5O2
  • MW: 323.35
  • Catalog: Xanthine Oxidase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

4-Phenyl-1H-1,2,3-triazole

4-Phenyl-1H-1,2,3-triazole is an IDO1 inhibitor (IC50: 60 渭M). 4-Phenyl-1H-1,2,3-triazole can be used for cancer research[1].

  • CAS Number: 1680-44-0
  • MF: C8H7N3
  • MW: 145.16
  • Catalog: Indoleamine 2,3-Dioxygenase (IDO)
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 346.0±11.0 °C at 760 mmHg
  • Melting Point: 143-14℃
  • Flash Point: 169.4±12.2 °C

Naphthol AS-BR

Naphthol AS-BR is a substrate for the histochemical demonstration of acid and alkaline phosphatase[1].

  • CAS Number: 91-92-9
  • MF: C36H28N2O6
  • MW: 584.61700
  • Catalog: Phosphatase
  • Density: 1.373g/cm3
  • Boiling Point: 701.2ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 377.9ºC

Dazcapistat

Dazcapistat is a potent calpain inhibitor, with IC50s of <3 μM for calpain 1, calpain 2 and calpain 9, respectively (patent WO2018064119A1, compound 405)[1].

  • CAS Number: 2221010-42-8
  • MF: C21H18FN3O4
  • MW: 395.38
  • Catalog: Proteasome
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Isovaleryl-L-carnitine (chloride)

Isovalerylcarnitine chloride, a product of the catabolism of L-leucine, is a potent activator of the Ca2+-dependent proteinase (calpain) of human neutrophils[1].

  • CAS Number: 139144-12-0
  • MF: C12H24ClNO4
  • MW: 281.77600
  • Catalog: Proteasome
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Handle region peptide, rat

Handle region peptide, rat is a prorenin receptor antagonist, suppresses the progression of diabetic nephropathy and has anti-inflammatory in the eye.

  • CAS Number: 749227-53-0
  • MF: C54H101N15O12S
  • MW: 1184.54
  • Catalog: Peptides
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

BI99179

BI-99179 is a potent and selective inhibitor of type I fatty acid synthase (FAS) with IC50 of 79 nM; demonstrates potent cellular activity (inhibition of 14C-acetate incorporation) with IC50 of 0.6 uM in the mouse N-42 cellular assays, shows no significant LDH release in the cytotoxicity assay at >30 uM; BI-99179 is a tool compound suitable for the in vivo validation of FAS as a therapeutic target.

  • CAS Number: 1291779-76-4
  • MF: C23H25N3O3
  • MW: 391.463
  • Catalog: Fatty Acid Synthase (FAS)
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 603.1±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 318.5±31.5 °C

Orismilast

Orismilast (LEO-32731) is a PDE4 inhibitor used for the research of inflammatory diseases[1].

  • CAS Number: 1353546-86-7
  • MF: C19H15Cl2F2NO7S
  • MW: 510.29
  • Catalog: Phosphodiesterase (PDE)
  • Density: 1.7±0.1 g/cm3
  • Boiling Point: 788.8±60.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 430.9±32.9 °C