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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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
Neuronal Signaling >
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Caffeoyltryptophan

Caffeoyltryptophan is a competitive PTP1B inhibitor, with an IC50 of 16.99 μM. Caffeoyltryptophan can also inhibit α-glucosidase, linoleic acid peroxidation and haemolysis. Caffeoyltryptophan can be used for the research of type 2 diabetes[1].

  • CAS Number: 109163-69-1
  • MF: C20H18N2O5
  • MW: 366.367
  • Catalog: Phosphatase
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 771.3±60.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 420.3±32.9 °C

Topiroxostat-d4

Topiroxostat-d4 is deuterium labeled Topiroxostat. Topiroxostat (FYX-051) is a potent and orally active xanthine oxidoreductase (XOR) inhibitor with an IC50 value of 5.3 nM and a Ki value of 5.7 nM. Topiroxostat exhibits weak CYP3A4-inhibitory activity (18.6%). Topiroxostat has the potential for hyperuricemia treatment[1][2].

  • CAS Number: 2732868-49-2
  • MF: C13H4D4N6
  • MW: 252.27
  • Catalog: Cytochrome P450
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Bradykinin potentiator B

Bradykinin potentiator B (Bradykinin potentiating peptide B) is venom of Agkistrodon halys blomhoffi. Bradykinin potentiator B is a potent ACE inhibitor. Bradykinin potentiator inhibits the activity of bradykinin inhibitory peptidase[1].

  • CAS Number: 30892-86-5
  • MF: C56H91N15O13
  • MW: 1182.41000
  • Catalog: Angiotensin-converting Enzyme (ACE)
  • Density: 1.48g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Ritonavir-d6

Ritonavir-d6 (ABT 538-d6) is the deuterium labeled Ritonavir. Ritonavir (ABT 538) is an inhibitor of HIV protease used to treat HIV infection and AIDS. Ritonavir is also a SARS-CoV 3CLpro inhibitor with an IC50 of 1.61 μM[1][2].

  • CAS Number: 1217720-20-1
  • MF: C37H42D6N6O5S2
  • MW: 726.98
  • Catalog: HIV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

DL-AP3

DL-AP3 is a competitive mGluR1 and mGluR5 antagonist. DL-AP3 is also an inhibitor of phosphoserine phosphatase. DL-AP3 has neuroprotective effect[1][2][3].

  • CAS Number: 5652-28-8
  • MF: C3H8NO5P
  • MW: 169.073
  • Catalog: mGluR
  • Density: 1.8±0.1 g/cm3
  • Boiling Point: 481.6±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 245.1±31.5 °C

Nafamostat mesylate

Nafamostat mesylate, a synthetic serine protease inhibitor, is an anticoagulant.Target: Serine ProteaseTranilast (FUT-175) is an antiallergic drug for bronchial asthma. It has been used for the treatment of allergic disorders such as asthma, allergic rhinitis and atopic dermatitis. It has also been investigated for use as an antiproliferative drug on drug-eluting stents.A 20-40 mg/h dose of FUT-175 prolonged coagulation time sufficiently in the instrumental blood of the extracorporeal circuit but not in the systemic blood. Its anticoagulant activity decreased immediately after hemodialysis. Therefore, we could manage all patients without any bleeding trouble during hemodialysis with FUT-175 as an anticoagulant. Although there were side effects of FUT-175, such as nausea, vomiting, itching and eruption, they were not serious, and FUT-175 could be administered without interruption. FUT-175 seems to be useful as an anticoagulant during hemodialysis for patients susceptible to bleeding.

  • CAS Number: 82956-11-4
  • MF: C21H25N5O8S2
  • MW: 539.58
  • Catalog: Ser/Thr Protease
  • Density: N/A
  • Boiling Point: 637.2ºCat 760 mmHg
  • Melting Point: 259-261°C
  • Flash Point: 339.1ºC

HIV-1 integrase inhibitor 3

HIV-1 integrase inhibitor 3 is a HIV-1 integrase strand transfer (INST) inhibitor with an IC50 of 2.7 nM.

  • CAS Number: 1638504-56-9
  • MF: C21H22F2N4O4
  • MW: 432.42
  • Catalog: HIV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

ezatiostat

Ezatiostat is a glutathione analog inhibitor of glutathione S-transferase P1-1 (GSTP1-1).

  • CAS Number: 168682-53-9
  • MF: C27H35N3O6S
  • MW: 529.648
  • Catalog: Gutathione S-transferase
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 749.7±60.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 407.2±32.9 °C

Bexarotene

Bexarotene is a selective retinoid X receptors (RXR) agonist for the treatment of cutaneous T-cell lymphoma.

  • CAS Number: 153559-49-0
  • MF: C24H28O2
  • MW: 348.478
  • Catalog: Autophagy
  • Density: 1.0±0.1 g/cm3
  • Boiling Point: 489.7±44.0 °C at 760 mmHg
  • Melting Point: 230-231ºC
  • Flash Point: 229.5±23.1 °C

YM 976

YM976 is a phosphodiesterase 4 (PDE4) inhibitor with an IC50 of 2.2 nM. YM976 shows the dissociation of anti-inflammatory activities from emetic effects and inhibits the antigen-induced airway responses[1].

  • CAS Number: 191219-80-4
  • MF: C17H16ClN3O
  • MW: 313.78100
  • Catalog: Phosphodiesterase (PDE)
  • Density: 1.27g/cm3
  • Boiling Point: 485.4ºC at 760mmHg
  • Melting Point: 132.7-134.0ºC(lit.)
  • Flash Point: 247.4ºC

DPP-IV-IN-1

DPP-IV-IN-1 is a potent inhibitor of dipeptidyl peptidase IV (DPP-IV), a highly specific serine protease, with an IC50 of 4.6 nM.

  • CAS Number: 625110-37-4
  • MF: C11H18FN3O2
  • MW: 243.27800
  • Catalog: Ser/Thr Protease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

SREBP/SCAP-IN-1

SREBP/SCAP-IN-1(compound 10b) is a selectiveSREBP/SCAPinhibitor[1].

  • CAS Number: 2763493-89-4
  • MF: C28H40F2N4O
  • MW: 486.64
  • Catalog: Fatty Acid Synthase (FAS)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

N-Desmethyl Sildenafil

N-Desmethyl Sildenafil (Desmethylsildenafil) is a major metabolite of Sildenafil. Sildenafil is a potent phosphodiesterase type 5 (PDE5) inhibitor[1][2].

  • CAS Number: 139755-82-1
  • MF: C21H28N6O4S
  • MW: 460.55
  • Catalog: Phosphodiesterase (PDE)
  • Density: 1.44g/cm3
  • Boiling Point: 685.7ºC at 760 mmHg
  • Melting Point: 158-160ºC
  • Flash Point: 368.5ºC

2-(2-Propyn-1-yl)octanoic acid

2-Hexyl-4-pentynoic acid ((±)-2-Hexyl-4-pentynoic acid), valproic acid (VPA) derivative, exhibits potential roles of HDAC inhibition (IC50=13 µM) and HSP70 induction. Potent neuroprotective effects. 2-Hexyl-4-pentynoic acid causes histone hyperacetylation and protect against glutamate-induced excitotoxicity in cultured neurons[1].

  • CAS Number: 96017-59-3
  • MF: C11H18O2
  • MW: 182.259
  • Catalog: HDAC
  • Density: 1.0±0.1 g/cm3
  • Boiling Point: 287.1±23.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 138.7±17.3 °C

A-58365B

A-58365B is an Angiotensin-converting Enzyme (ACE) inhibitor. A-58365B has antihypertensive effects[1].

  • CAS Number: 87896-53-5
  • MF: C13H15NO6
  • MW: 281.26100
  • Catalog: Angiotensin-converting Enzyme (ACE)
  • Density: 1.54g/cm3
  • Boiling Point: 608.3ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 321.7ºC

[Tyr6]-Angiotensin II

[Tyr6]-Angiotensin II is a peptide fragment , and can bind to the angiotensin converting enzyme 2 [1].

  • CAS Number: 52634-95-4
  • MF: C53H73N11O13
  • MW: 1072.21
  • Catalog: Angiotensin-converting Enzyme (ACE)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

NR1H4 activator 1

NR1H4 activator 1 is a potent and selective Famesoid X Receptor (FXR) agonist, extracted from patent WO2018152171A1, example 4. NR1H4 activator 1 shows strong FXR agonistic potency with a EC50 value of 1 nM in a Human FXR (NR1H4) Assay. NR1H4 activator 1 has the potential for treatment of gastrointestinal disease[1].

  • CAS Number: 2242855-68-9
  • MF: C34H53NO7S
  • MW: 619.85
  • Catalog: FXR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Hippuryl-His-Leu-OH

Hippuryl-His-Leu-OH is a substrate for detecting the activity of angiotensin I converting enzyme. The His-Leu released by Hippuryl-His-Leu-OH can react with o-phtbaldialdehyde or Fluorescamine (HY-D0715) for fluorescence detection[1][2][3].

  • CAS Number: 31373-65-6
  • MF: C21H27N5O5
  • MW: 429.47000
  • Catalog: Angiotensin-converting Enzyme (ACE)
  • Density: 1.283 g/cm3
  • Boiling Point: 912.4ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 505.6ºC

CRA-2059

CRA-2059 is a highly specific and selective tryptase inhibitor, with a Ki of 620 pM for recombinant human tryptase-β (rHTβ)[1][2].

  • CAS Number: 256649-36-2
  • MF: C34H46N12O8
  • MW: 750.80
  • Catalog: Ser/Thr Protease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Ginkgolic acid C15:1

Ginkgolic Acid is a natural compound with suspected cytotoxic, allergenic, mutagenic and carcinogenic properties, and it can inhibit protein SUMOylation both in vitro and in vivo without affecting in vivo ubiquitination.

  • CAS Number: 22910-60-7
  • MF: C22H34O3
  • MW: 346.504
  • Catalog: E1/E2/E3 Enzyme
  • Density: 1.0±0.1 g/cm3
  • Boiling Point: 492.1±40.0 °C at 760 mmHg
  • Melting Point: 136-137ºC
  • Flash Point: 265.5±23.8 °C

4,5-Dimethoxycanthin-6-one

4,5-Dimethoxycanthin-6-one is a potent and uncompetitive inhibitor of CYP1A2-mediated phenacetin O-deethylation with an IC50 value of 1.7μM and a Ki value of 2.6 μM. 4,5-Dimethoxycanthin-6-one, as an alkaloid, is isolated from the wood of Picrasma quassioides BENNET (Simaroubaceae)[1][2].

  • CAS Number: 18110-87-7
  • MF: C16H12N2O3
  • MW: 280.278
  • Catalog: Cytochrome P450
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 455.1±45.0 °C at 760 mmHg
  • Melting Point: 145-146 °C
  • Flash Point: 229.0±28.7 °C

FASN-IN-5

FASN-IN-5 (example 11), a FASN inhibitor, can be used for the research of TH17- or CSF1 -mediated disease or disorder such as cancer, immunological disorders, and obesity[1].

  • CAS Number: 1309805-49-9
  • MF: C29H26N4O2
  • MW: 462.54
  • Catalog: Fatty Acid Synthase (FAS)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Apixaban-13C,d3

Apixaban 13CD3 (BMS-562247-01 13CD3) is a deuterium labeled Apixaban. Apixaban is a highly selective, reversible inhibitor of Factor Xa with Ki of 0.08 nM and 0.17 nM in human and rabbit, respectively[1].

  • CAS Number: 1261393-15-0
  • MF: C2413CH22D3N5O4
  • MW: 463.508
  • Catalog: Factor Xa
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

rac-Sitagliptin-d4 hydrochloride

(Rac)-Sitagliptin-d4((Rac)-MK-0431-d4) hydrochloride is a labelled racemic Sitagliptin. Sitagliptin (MK-0431) hydrochloride is a potent inhibitor of DPP4 with an IC50 of 19 nM in Caco-2 cell extracts[1].

  • CAS Number: 1620233-77-3
  • MF: C16H12D4ClF6N5O
  • MW: 411.34
  • Catalog: Autophagy
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

MMP2-IN-1

MMP2-IN-1 is a moderate potenet MMP2 inhibitor with IC50 of 6.8 µM. MMP2-IN-1 exhibits remarkable antiproliferative activity in certain cancer cells by arresting the cell cycle and inducing apoptosis[1].

  • CAS Number: 2764598-01-6
  • MF: C15H13NO5S
  • MW: 319.33
  • Catalog: Apoptosis
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

EN40

ALDH3A1 inhibitor EN40 is a potent and selective, covalent, in vivo-active inhibitor of ALDH3A1 with IC50 of 2 uM, demonstrates no activity against ALDH1A3 and ALDH6A1 at 30 uM; also does not show any observable competition against lysine-reactive probe labeling of A549 proteomes; specifically inhibits the lung cancer cell lines expressing ALDH3A1, but not in the cell lines that do not express ALDH3A1, inhibits ALDH3A1 activity and impairs lung cancer pathogenicity in vivo.

  • CAS Number: 2094547-67-6
  • MF: C13H15NO2
  • MW: 217.268
  • Catalog: Aldehyde Dehydrogenase (ALDH)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

H-Glu(Tyr-OH)-OH

γ-Glu-Tyr, a competitive inhibitor of dipeptidyl peptidase-IV (DPP-IV) (IC50=6.77 mM), is a potentially functional component of the type 2 diabetes diet[1].

  • CAS Number: 7432-23-7
  • MF: C14H18N2O6
  • MW: 310.30
  • Catalog: Dipeptidyl Peptidase
  • Density: 1.414g/cm3
  • Boiling Point: 690.4ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 371.3ºC

Ac-Pro-Leu-Gly-[(S)-2-mercapto-4-methyl-pentanoyl]-Leu-Gly-OEt

Ac-Pro-Leu-Gly-[(S)-2-mercapto-4-methyl-pentanoyl]-Leu-Gly-OEt is a MMP12 substrate, and can be used to detect MMP12 enzyme activity[1].

  • CAS Number: 98992-65-5
  • MF: C31H53N5O8S
  • MW: 655.846
  • Catalog: MMP
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 893.7±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 494.3±34.3 °C

Cbl-b-IN-3

Cbl-b-IN-3 (Compound 23) is a casitas B-lineage lymphoma proto-oncogene-b (Cbl-b) inhibitor with an IC50 of < 1 nM. Cbl-b is an E3 ubiquitin ligase that negatively regulates T-cell activation[1].

  • CAS Number: 2573775-59-2
  • MF: C30H34F3N5O
  • MW: 537.62
  • Catalog: E1/E2/E3 Enzyme
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Ganoderic acid GS-1

Ganoderic acid GS-1, a highly oxygenated lanostane-type triterpenoid, has anti-HIV-1 protease activities with an IC50 of 58 μM[1].

  • CAS Number: 1206781-64-7
  • MF: C30H42O6
  • MW: 498.7
  • Catalog: HIV Protease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A