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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SKF107457

SKF107457 is an HIV-1 protease inhibitor that can be used in AIDS research[1][2].

  • CAS Number: 126333-28-6
  • MF: C29H47N5O7
  • MW: 577.71300
  • Catalog: HIV Protease
  • Density: 1.154g/cm3
  • Boiling Point: 897.8ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 496.8ºC

MGAT2-IN-2

MGAT2-IN-2 is a potent and selective acyl CoA:monoacylglycerol acyltransferase 2 (MGAT2) inhibitor with an IC50 of 3.4 nM.

  • CAS Number: 1710630-11-7
  • MF: C26H21F5N4O4S
  • MW: 580.53
  • Catalog: Acyltransferase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Lovastatin hydroxy acid sodium

Lovastatin hydroxy acid sodium (Mevinolinic acid sodium) is a highly potent inhibitor of HMG-CoA reductase with a Ki of 0.6 nM[1].

  • CAS Number: 75225-50-2
  • MF: C24H37NaO6
  • MW: 444.537
  • Catalog: HMG-CoA Reductase (HMGCR)
  • Density: N/A
  • Boiling Point: 602.3ºC at 760 mmHg
  • Melting Point: 154-160ºC
  • Flash Point: 199.1ºC

KZR-504

KZR-504 is a highly selective and orally active inhibitor of immunoproteasome low molecular mass polypeptide 2 (LMP2), with IC50s of 51 nM, 4.274 μM for LMP2 and LMP7, respectively.

  • CAS Number: 1629052-78-3
  • MF: C21H23N3O6
  • MW: 413.42
  • Catalog: Proteasome
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Quercetin-3-gentiobioside

Quercetin 3-gentiobioside is isolated from A. iwayomogi, AR and AGE formation inhibitor, demonstrates biological activities against Aldose reductase (AR) and the formation of advanced glycation endproducts (AGEs)[1].

  • CAS Number: 7431-83-6
  • MF: C27H30O17
  • MW: 626.517
  • Catalog: Aldose Reductase
  • Density: 1.9±0.1 g/cm3
  • Boiling Point: 1033.2±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 340.6±27.8 °C

FM26

FM26 (compound 25) is a potent and allosteric retinoic acid receptor-related orphan receptor γt (RORγt) inverse agonists with an IC50 of 264 nM. FM26 has a distinct isoxazole chemotype and effectively reduces IL-17a mRNA production in EL4 cells[1].

  • CAS Number: 2407981-35-3
  • MF: C22H15ClF3N3O3
  • MW: 461.82
  • Catalog: ROR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Diaplasinin

Diaplasinin (PAI-749) is a plasminogen activator inhibitor-1 (PAI-1) inhibitor with IC50 of 295 nm. Antithrombotic efficacy[1].

  • CAS Number: 481631-45-2
  • MF: C32H31N5O
  • MW: 501.62100
  • Catalog: PAI-1
  • Density: 1.21g/cm3
  • Boiling Point: 759.2ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 413ºC

IMIRESTAT

Imirestat (AL 1576) is an aldose reductase inhibitor, used for the treatment of diabetes.

  • CAS Number: 89391-50-4
  • MF: C15H8F2N2O2
  • MW: 286.23300
  • Catalog: Aldose Reductase
  • Density: 1.58g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Dorzolamide-d5

Dorzolamide-d5 (L671152-d5) is the deuterium labeled Dorzolamide. Dorzolamide (L671152) is a potent carbonic anhydrase II inhibitor, with IC50 values of 0.18 nM and 600 nM for red blood cell CA-II and CA-I respectively. Dorzolamide possesses anti-tumor activity[1][2].

  • CAS Number: 1227097-70-2
  • MF: C10H11D5N2O4S3
  • MW: 329.47100
  • Catalog: Carbonic Anhydrase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

GSK3739936

GSK3739936 (BMS-986180) is a potent, allosteric HIV-1 integrase (ALLINI), shows excellent potency in vitro against majority of the 124/125 variants (EC50=1.7 nM).

  • CAS Number: 1803444-21-4
  • MF: C34H43FN2O4
  • MW: 562.726
  • Catalog: HIV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

NA-CBZ-ARG-ARG 4-METHOXY-B-NAPHTHYLAMIDE

Z-Arg-Arg-4MβNA triacetate is a cathepsin B-specific substrate and can produce fluorescent end product 4MβNA (λex = 355 nm, λem = 430 nm)[1][2].

  • CAS Number: 100900-19-4
  • MF: C33H45N9O7
  • MW: 679.76600
  • Catalog: Cathepsin
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

NNGH

NNGH is a stromelysin-1 (MMP-3) inhibitor. MMP-3 is both a direct transcriptional target and a necessary contributor of the Wnt/β-catenin signaling pathway. Matrix metalloproteinases (MMPs) play a well-defined role in later stages of tumor progression[1].

  • CAS Number: 161314-17-6
  • MF: C13H20N2O5S
  • MW: 316.373
  • Catalog: MMP
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Cilomilast

Cilomilast(SB 207499; Ariflo) is a potent PDE4 inhibitor with IC50 of about 110 nM, has anti-inflammatory activity and low central nervous system activity.IC50 value: 110 nMTarget: PDE 4Cilomilast (SB-207499) inhibits HPDE4 and LPDE4 catalytic activity with equal potency (Ki ≈100 nM). SB-207499 and rolipram are equipotent against LPDE4, but Cilomilast (Ariflo, SB-207499) is 100-fold less potent against HPDE4. This profile suggests that Cilomilast (Ariflo, SB-207499) retain the anti-inflammatory activity of rolipram yet have a decreased tendency to produce side effects.

  • CAS Number: 153259-65-5
  • MF: C20H25NO4
  • MW: 343.417
  • Catalog: Phosphodiesterase (PDE)
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 549.1±50.0 °C at 760 mmHg
  • Melting Point: 157ºC
  • Flash Point: 285.9±30.1 °C

Mephenytoin

Mephenytoin, an anticonvulsant, is the CYP2C19 and CYP2B6 substrate[1].

  • CAS Number: 50-12-4
  • MF: C12H14N2O2
  • MW: 218.25200
  • Catalog: Cytochrome P450
  • Density: 1.154g/cm3
  • Boiling Point: N/A
  • Melting Point: 135-138ºC
  • Flash Point: N/A

Phosphatase-IN-1

Phosphatase-IN-1 (compound II-8), a propranolol (HY-B0573B) derivative, is a phosphatidate phosphatase (Pah) inhibitor. Phosphatase-IN-1 can binds to MoPah1, with an affinity constant of 19.8 μM. Phosphatase-IN-1 inhibits growth of plant pathogens and shows anti-fungal ability. Phosphatase-IN-1 is not toxic to rice seedlings and wheat heads[1].

  • CAS Number: 2889356-55-0
  • MF: C16H16Cl2FNO2
  • MW: 344.21
  • Catalog: Fungal
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Olivetol

Olivetol is a naturally phenol found in lichens and produced by certain insects, acting as a competitive inhibitor of the cannabinoid receptors CB1 and CB2[3]. Olivetol also inhibits CYP2C19 and CYP2D6 activity, with IC50s of 15.3 μM, 7.21 μM and Kis of 2.71 μM, 2.87 μM, respectively[1][2].

  • CAS Number: 500-66-3
  • MF: C11H16O2
  • MW: 180.243
  • Catalog: Cannabinoid Receptor
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 313.3±12.0 °C at 760 mmHg
  • Melting Point: 46-48ºC
  • Flash Point: 148.8±14.2 °C

TOFA

TOFA (RMI14514;MDL14514) is an allosteric inhibitor of acetyl-CoA carboxylase-α (ACCA ).

  • CAS Number: 54857-86-2
  • MF: C19H32O4
  • MW: 324.455
  • Catalog: Acetyl-CoA Carboxylase
  • Density: 1.0±0.1 g/cm3
  • Boiling Point: 441.7±25.0 °C at 760 mmHg
  • Melting Point: 112-115ºC
  • Flash Point: 220.9±23.2 °C

Daprodustat

Daprodustat (GSK1278863) is an orally active hypoxia-inducible factor prolyl hydroxylase inhibitor being developed for the treatment of anemia associated with chronic kidney disease.

  • CAS Number: 960539-70-2
  • MF: C19H27N3O6
  • MW: 393.434
  • Catalog: HIF/HIF Prolyl-Hydroxylase
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Cabotegravir Sodium

Cabotegravir sodium is a highly potent HIV integrase inhibitor with an IC50 value of 2.5 nM for HIVADA. Cabotegravir sodium is primarily metabolized by uridine diphosphate glucuronosyltransferase (UGT) 1A1, with low potential to interact with other antiretroviral drugs (ARVs)[1].

  • CAS Number: 1051375-13-3
  • MF: C19H16F2N3NaO5
  • MW: 427.334
  • Catalog: HIV Integrase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

IDO1-IN-11

IDO1-IN-11 is an IDO1 inhibitor with an IC50 value of 0.6 nM.

  • CAS Number: 2306411-34-5
  • MF: C22H17ClFN3O3
  • MW: 425.84
  • Catalog: Indoleamine 2,3-Dioxygenase (IDO)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

5-R-Rivaroxaban

5-R-Rivaroxaban is (R)-enantiomer of Rivaroxaban. Rivaroxaban (BAY 59-7939) is a highly potent and selective, direct Factor Xa (FXa) inhibitor, achieving a strong gain in anti-FXa potency (IC50 0.7 nM; Ki 0.4 nM).

  • CAS Number: 865479-71-6
  • MF: C19H18ClN3O5S
  • MW: 435.881
  • Catalog: Factor Xa
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 732.6±60.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 396.9±32.9 °C

Urokinase

Urokinase peptidolytic (Urokinase-type plasminogen activator) is a serine protease, an inactive form (zymogen) of the serine protease plasminogen. Activation of plasmin triggers a proteolytic cascade reaction, which in turn participates in thrombolysis or extracellular matrix degradation, implicated in vascular disease and cancer-related research[1].

  • CAS Number: 9039-53-6
  • MF: C21H25BrN2O3
  • MW:
  • Catalog: Ser/Thr Protease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

IDO1/TDO-IN-4

IDO1/TDO-IN-4 is a potent IDO1/TDO dual inhibitor, with IC50 values of 3.53 μM (IDO1) and 1.15 μM (TDO). IDO1/TDO-IN-4 forms hydrogen bond with IDO1, and π−π stacking interaction with TDO. IDO1/TDO-IN-4 can be used in the research of depression, and depression-induced infectious, metabolic, and autoimmune disorders[1].

  • CAS Number: 461424-21-5
  • MF: C14H10N4
  • MW: 234.26
  • Catalog: Indoleamine 2,3-Dioxygenase (IDO)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

BAY 678

BAY-678 is an orally bioavailable, highly potent, selective and cell-permeable inhibitor of human neutrophil elastase (HNE), with an IC50 of 20 nM. BAY-678 is also nominated as a chemical probe to the public via the Structural Genomics Consortium (SGC).

  • CAS Number: 675103-36-3
  • MF: C20H15F3N4O2
  • MW: 400.35
  • Catalog: Elastase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

1,1,1,2,2-Pentafluoro-7-phenyl-3-heptanone

FKGK11 is a potent and selective inhibitor of GVIA iPLA2 (Group VIA calcium-independent phospholipase A2). FKGK11 can be used for the research of ovarian cancer and neurological disorders such as peripheral nerve injury and multiple sclerosis[1][2].

  • CAS Number: 1071000-98-0
  • MF: C13H13F5O
  • MW: 280.234
  • Catalog: Phospholipase
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 288.9±40.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 110.7±21.5 °C

VP3.15

VP3.15 is a potent, orally bioavailable and CNS-penetrant dual phosphodiesterase (PDE)7- glycogen synthase kinase (GSK)3 inhibitor, with IC50s of 1.59 μM and 0.88 μM for PDE7 and GSK-3, respectively. VP3.15 has neuroprotective and neuroreparative activities, thus as potential combined anti-inflammatory and pro-remyelinating therapies for multiple sclerosis (MS)[1].

  • CAS Number: 1281681-54-6
  • MF: C20H22N4OS
  • MW: 366.48
  • Catalog: Phosphodiesterase (PDE)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Vaniprevir

Vaniprevir (MK-7009) is a non-covalent competitive inhibitor of the hepatitis C virus (HCV) NS3/4A protease.IC50 Value: Target: HCV NS3/4A Protease; HCVvaniprevir (MK-7009) is a macrocyclic hepatitis C virus NS3/4a protease inhibitor, is active against both the genotype 1 and genotype 2 NS3/4a protease enzymes. vaniprevir (MK-7009) has good plasma exposure and excellent liver exposure in multiple species.

  • CAS Number: 923590-37-8
  • MF: C38H55N5O9S
  • MW: 757.93600
  • Catalog: HCV
  • Density: 1.33g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Teslexivir hydrochloride

Teslexivir (BTA074) hydrochloride is a potent antiviral agent. Teslexivir hydrochloride is a potent and selective inhibitor of the interaction between two essential viral proteins, E1 and E2, an association that is a necessary step in the DNA replication and thus viral production for Human Papilloma Virus (HPV) 6 and 11. Teslexivir hydrochloride can be used for condyloma research[1].

  • CAS Number: 1075281-70-7
  • MF: C35H37BrClN3O4
  • MW: 679.04
  • Catalog: E1/E2/E3 Enzyme
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Linagliptin

Linagliptin is a highly potent, selective DPP-4 inhibitor with IC50 of 1 nM.

  • CAS Number: 668270-12-0
  • MF: C25H28N8O2
  • MW: 472.542
  • Catalog: Dipeptidyl Peptidase
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 661.2±65.0 °C at 760 mmHg
  • Melting Point: 202ºC
  • Flash Point: 353.7±34.3 °C

FCE 28654

FCE 28654 is a water soluble inhibitor of acylCoA: cholesterol acyltransferase (ACAT), weakly inhibiting ACAT in microsomes from rabbit aorta and intestine, and monkey liver, with IC50s of 2.55, 1.08 and 5.69 μM, respcetively.

  • CAS Number: 169474-77-5
  • MF: C25H35N2O7P
  • MW: 506.53
  • Catalog: Acyltransferase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A