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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CGP-53153

CGP-53153 is a steroidal inhibitor of 5 alpha reductase with IC50s of 36 and 262 nM in rat and human prostatic tissue, respectively.

  • CAS Number: 149281-19-6
  • MF: C23H33N3O2
  • MW: 383.52700
  • Catalog: 5 alpha Reductase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Elamipretide TFA

Elamipretide TFA (MTP-131 TFA; RX-31 TFA; SS-31 TFA) is a cardiolipin peroxidase inhibitor and mitochondria-targeting peptide[1].

  • CAS Number: 1606994-55-1
  • MF: C34H50F3N9O7
  • MW: 753.81
  • Catalog: Mitochondrial Metabolism
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

TVB-3664

TVB-3664 is an orally available, reversible, potent, selective and highly bioavailable fatty acid synthase (FASN) inhibitor, with IC50 values of 18 nM and 12 nM for human and mouse cell palmitate synthesis, respectively. TVB-3664 significantly reduces tubulin palmitoylation and mRNA expression[1][2].

  • CAS Number: 2097262-58-1
  • MF: C25H23F3N4O2
  • MW: 468.47
  • Catalog: Fatty Acid Synthase (FAS)
  • Density: 1.36±0.1 g/cm3(Predicted)
  • Boiling Point: 665.7±55.0 °C(Predicted)
  • Melting Point: N/A
  • Flash Point: N/A

(4,4-2H2)Hexadecanoic acid

Palmitic acid-d2-4 is the deuterium labeled Palmitic acid. Palmitic acid is a long-chain saturated fatty acid commonly found in both animals and plants. PA can induce the expression of glucose-regulated protein 78 (GRP78) and CCAAT/enhancer binding protein homologous protein (CHOP) in in mouse granulosa cells[1][2].

  • CAS Number: 30719-28-9
  • MF: C16H30D2O2
  • MW: 258.44
  • Catalog: HSP
  • Density: 0.9±0.1 g/cm3
  • Boiling Point: 340.6±5.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 154.1±12.5 °C

BC-11-38

BC11-38 is a potent, selective, and biologically active PDE11 inhibitor, with IC50s of 0.28 µM and >100 µM for PDE11 and PDE1-10, respectively. BC11-38 elevates cAMP levels, PKA-mediated ATF-1 phosphorylation, and cortisol production in H295R cells[1].

  • CAS Number: 686770-80-9
  • MF: C15H16N2OS2
  • MW: 304.43000
  • Catalog: Phosphodiesterase (PDE)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Simvastatin Hydroxy Acid Sodium Salt

Simvastatin sodium is a lactone prodrug, can be hydrolysed to active hydroxy-acid by non-specific carboxyesterases or non-enzymatic processes. Simvastatin sodium shows a inhibition of HMG-CoA reductase with a Ki value of 0.12 nM[1][2].

  • CAS Number: 101314-97-0
  • MF: C25H39NaO6
  • MW: 458.563
  • Catalog: HMG-CoA Reductase (HMGCR)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

PHD-1-IN-1

PHD-1-IN-1 is an orally active and potent HIF prolylhydroxylase domain-1 (PHD-1) inhibitor with an IC50 of 0.034 μM. PHD-1-IN-1 has a unique monodentate binding interaction with the active site Fe2+ ion and induces the formation of an “Arg367-out” pocket[1].

  • CAS Number: 2009343-14-8
  • MF: C13H8N4
  • MW: 220.23
  • Catalog: HIF/HIF Prolyl-Hydroxylase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Ac-Phe-Gly-pNA

Ac-Phe-Gly-pNA is the chymotrypsin specific substrate[1].

  • CAS Number: 34336-99-7
  • MF: C19H20N4O5
  • MW: 384.38600
  • Catalog: Ser/Thr Protease
  • Density: 1.326g/cm3
  • Boiling Point: 724.7ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 392.1ºC

Tabimorelin hemifumarate

Tabimorelin (NN703) hemifumarate is an orally active growth hormone (GH) secretagogue. Tabimorelin hemifumarate is also a potent inhibitor of CYP3A4 activity[1].

  • CAS Number: 242143-80-2
  • MF: C32H40N4O3.1/2C4H4O4
  • MW: 586.72
  • Catalog: Cytochrome P450
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

AC 55649

AC-55649 is a potent, highly isoform-selective agonist of human RARβ2 receptor, with a pEC50 of 6.9.

  • CAS Number: 59662-49-6
  • MF: C21H26O2
  • MW: 310.43000
  • Catalog: RAR/RXR
  • Density: 1.037g/cm3
  • Boiling Point: 462ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 216.9ºC

PT-2385

PT-2385 is a selective HIF-2α antagonist with a Ki of less than 50 nM.

  • CAS Number: 1672665-49-4
  • MF: C17H12F3NO4S
  • MW: 383.342
  • Catalog: HIF/HIF Prolyl-Hydroxylase
  • Density: 1.6±0.1 g/cm3
  • Boiling Point: 524.7±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 271.1±30.1 °C

SPC4061

SPC4061 an antisense nucleotide, is a potent PCSK9 inhibitor. SPC4061 targets the lock-in nucleic acid (LNA) of PCSK9 for the study of hypercholesterolemia and related diseases[1][2].

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

NIC-0102

NIC-0102 is an orally active proteasome inhibitor (pIC50=7.55) that specifically inhibits NLRP3 inflammatory vesicle activation. NIC-0102 shows potent anti-inflammatory effects in a model of dextran sulfate sodium (DSS)-induced ulcerative colitis. NIC-0102 also inhibits production of pro-IL-1β[1].

  • CAS Number: 2806031-94-5
  • MF: C21H25BF2N2O4
  • MW: 418.24
  • Catalog: NOD-like Receptor (NLR)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Enpp-1-IN-6

Enpp-1-IN-6 is a potent inhibitor of ectonucleotide pyrophosphatase-phosphodiesterase 1 (enpp-1). The ENPP 1 has broad specificity and can cleave a variety of substrates, including phosphodiester bonds of nucleotides and nucleotide sugars and pyrophosphate bonds nucleotides and nucleotide sugars. Enpp-1-IN-6 has the potential for the research of cancer and infectious diseases (extracted from patent WO2021203772A1, compound 51)[1].

  • CAS Number: 2718971-29-8
  • MF: C22H28N4O5S
  • MW: 460.55
  • Catalog: Phosphodiesterase (PDE)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Fasnall

Fasnall is a selective fatty acid synthase (FASN) inhibitor with an IC50 of 3.71 μM. Fasnall induces apoptosis in HER2+ breast cancer cell lines. Fasnall shows potent anti-tumor activities[1].

  • CAS Number: 929978-58-5
  • MF: C19H22N4S
  • MW: 338.47
  • Catalog: Apoptosis
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

JZP 361

JZP-361 is a potent and reversible inhibitor of human recombinant MAGL (hMAGL, IC50=46 nM), and has almost 150-fold higher selectivity over human recombinant fatty acid amide hydrolase (hFAAH, IC50=7.24 μM) and 35-fold higher selectivity over human α/β-hydrolase-6 (hABHD6, IC50=1.79 μM). JZP-361 represents a dual-acting pharmacological tool possessing both MAGL inhibitory and antihistaminergic activities[1].

  • CAS Number: 1680193-80-9
  • MF: C22H20ClN5O
  • MW: 405.880
  • Catalog: Histamine Receptor
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 611.7±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 323.8±34.3 °C

H-Val-Pro-Leu-Ser-Leu-Tyr-Ser-Gly-OH trifluoroacetate salt

VPLSLYSG is an octapeptide that can be degraded by matrix metalloproteinase-9 (MMP-9), MMP-1 and MMP-2. VPLSLYSG has potential applications in MMP substrates[1][2][3].

  • CAS Number: 425632-67-3
  • MF: C39H62N8O12
  • MW: 834.96
  • Catalog: MMP
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

CAY10462

CAY 10434 dihydrochloride is a potent CYP4A hydroxylase inhibitor. CAY 10434 dihydrochloride improves contractile response to angiotensin II with the maximal contractile response (Emax) 6764 mg[1].

  • CAS Number: 502656-68-0
  • MF: C17H27Cl2N3O
  • MW: 360.322
  • Catalog: Cytochrome P450
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

TPI-1

TPI-1 is a SHP-1 inhibitor; inhibits recombinant SHP-1 with an IC50 of 40 nM.

  • CAS Number: 79756-69-7
  • MF: C12H6Cl2O2
  • MW: 253.08100
  • Catalog: Phosphatase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

PDZ1i

PDZ1i (113B7) is a specific inhibitor of MDA-9/Syntenin activity that inhibits MDA-9/Syntenin binding to EGFRvIII; selectively binds with micromolar affinity to the PDZ1 domain of MDA-9/Syntenin, with no affinity for PDZ2 domain of MDA-9/Syntenin; reduces invasion gains in GBM cells following radiation, inhibits crucial GBM signaling involving FAK and mutant EGFR, EGFRvIII, and abrogated gains in secreted proteases, MMP-2 and MMP-9, following radiation; results in smaller, less invasive tumors and enhanced survival in an in vivo glioma model.

  • CAS Number: 2083618-79-3
  • MF: C28H26N8O
  • MW: 538.568
  • Catalog: EGFR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Temocapril (hydrochloride)

Temocapril Hydrochloride is a long-acting angiotensin-converting enzyme (ACE) inhibitor, used for the treatment of hypertension. Target: ACETemocapril hydrochloride is a novel prodrug-type angiotensin-I converting enzyme (ACE) inhibitor, lowering of the dose of temocapril might be recommended only in patients with severe renal insufficiency [1]. Temocapril is regarded as an ACE inhibitor the disposition and efficacy of which are little affected in patients with impaired liver function [2].

  • CAS Number: 110221-44-8
  • MF: C23H29ClN2O5S2
  • MW: 513.07
  • Catalog: Angiotensin-converting Enzyme (ACE)
  • Density: N/A
  • Boiling Point: 717.4ºC at 760 mmHg
  • Melting Point: 196-200ºC (dec)
  • Flash Point: 387.7ºC

Mca-Arg-Pro-Lys-Pro-Val-Glu-Nva-Trp-Arg-Lys(Dnp)-NH2 trifluoroacetate salt

NFF-3, the peptide, is a selective MMP substrate. NFF-3 selectively binds to MMP-3 and MMP-10 to be hydrolyzed. NFF-3 is also cleaved by trypsin, hepatocyte growth factor activator, and factor Xa. Label NFF-3 with a CyDye pair, Cy3/Cy5Q, can produce fluorescence in cell assays to detect cell activity[1].

  • CAS Number: 158584-09-9
  • MF: C78H110N22O20
  • MW: 1675.84
  • Catalog: MMP
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Sophoflavescenol

Sophoflavescenol is a prenylated flavonol, which shows great inhibitory activity with IC50 of 0.013 μM against Phosphodiesterase 5 (PDE5), and also inhibits RLAR, HRAR, AGE, BACE1, AChE and BChE with IC50s of 0.30 µM, 0.17 µM, 17.89 µg/mL, 10.98 µM, 8.37 µM and 8.21 µM, respectively.

  • CAS Number: 216450-65-6
  • MF: C21H20O6
  • MW: 368.380
  • Catalog: Phosphodiesterase (PDE)
  • Density: 1.359±0.06 g/cm3
  • Boiling Point: 631.8±55.0 °C at 760 mmHg
  • Melting Point: 273-275 ºC
  • Flash Point: 226.2±25.0 °C

RPR107393 free base

RPR107393 free base is a selective squalene synthase inhibitor, which inhibits rat liver microsomal squalene synthase with an IC50 of 0.8±0.2 nM.

  • CAS Number: 197576-78-6
  • MF: C22H22N2O
  • MW: 330.42
  • Catalog: Farnesyl Transferase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Displurigen

Displurigen (NSC375009) disrupts human embryonic stem cell pluripotency by targeting HSPA8. Displurigen inhibits ATPase activity of HSP70 (IC50 = 225 μM)[1].

  • CAS Number: 96156-26-2
  • MF: C15H10O4S
  • MW: 286.30300
  • Catalog: HSP
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Spiro[8H-naphth[2',1':4,5]indeno[2,1-b]furan-8,2'-[2H]pyran] alpha-D-glucopyranoside deriv.

Polyphyllin C (compound 2) is a spirostanol saponin. Polyphyllin C exhibits mild (IC50=36.87 µM) activities against the tyrosinase and moderate (IC50=1.59 µg/mL) antileishmanial activities[1][2].

  • CAS Number: 76296-71-4
  • MF: C39H62O12
  • MW: 722.902
  • Catalog: Tyrosinase
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 849.1±65.0 °C at 760 mmHg
  • Melting Point: 189-192 °C
  • Flash Point: 467.3±34.3 °C

Asperphenamate

Asperphenamate, a fungal metabolite of Aspergillus flatiipes with anti-cancer effect, exhibits IC50 values of 92.3 μM, 96.5 μM and 97.9 μM in T47D, MDA-MB-231 and HL-60 cells, respectively[1][2].

  • CAS Number: 63631-36-7
  • MF: C32H30N2O4
  • MW: 506.59200
  • Catalog: Autophagy
  • Density: 1.198g/cm3
  • Boiling Point: 774.3ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 422.1ºC

A939572

A939572 is a potent, and orally bioavailable SCD1 inhibitor with IC50 values of <4 nM and 37 nM for mSCD1 and hSCD1, respectively.

  • CAS Number: 1032229-33-6
  • MF: C20H22ClN3O3
  • MW: 387.86000
  • Catalog: Stearoyl-CoA Desaturase (SCD)
  • Density: 1.302 g/cm3
  • Boiling Point: 633.5ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 336.9ºC

PX-478 2HCl

PX-478 is an antitumor inhibitor of hypoxia-inducible factor-1α (HIF-1α).

  • CAS Number: 685898-44-6
  • MF: C13H20Cl4N2O3
  • MW: 394.121
  • Catalog: Autophagy
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Chlorzoxazone-13C

Chlorzoxazone-13C is the 13C labeled Chlorzoxazone[1]. Chlorzoxazone is a centrally acting muscle relaxant used to treat muscle spasm and the resulting pain or discomfort[2].

  • CAS Number: 616865-28-2
  • MF: C613CH4ClNO2
  • MW: 170.56
  • Catalog: Cytochrome P450
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A