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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UK-101 is a potent and selective immunoproteasome β1i (LMP2) inhibitor with an IC50 value of 104 nM, displays 144- and 10-fold selectivity over β1c (IC50=15 μM) and β5 subunit (IC50=1 μM), respectivey[1]. UK-101 induces cell apoptosis and can be used for the study of prostate cancer[2].

  • CAS Number: 1000313-40-5
  • MF: C25H48N2O5Si
  • MW: 484.74500
  • Catalog: Apoptosis
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Mutant IDH1-IN-1

Mutant IDH1-IN-1 is a mutant-selective IDH1 inhibitor with with IC50s of 4, 42, 80 and 143 nM against mutant IDH1 R132C/R132C, IDH1 R132H/R132H, IDH1 R132H/WT and wild type IDH1, respectively.

  • CAS Number: 1355326-21-4
  • MF: C30H31FN4O2
  • MW: 498.591
  • Catalog: Isocitrate Dehydrogenase (IDH)
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

UVI 3003

UVI 3003 is a highly selective antagonist of retinoid X receptor (RXR), and inhibits xenopus and human RXRα in Cos7 cells, with IC50s of 0.22 and 0.24 μM, respectively.

  • CAS Number: 847239-17-2
  • MF: C28H36O4
  • MW: 436.58300
  • Catalog: RAR/RXR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

D-3

D-3 is a selective PSC eliminating agent, inducing toxicity in cultured iPSCs and ESCs after 1 h of incubation, via an alkaline phosphatase-dependent mechanism.

  • CAS Number: 1967815-98-0
  • MF: C48H47N4O10P
  • MW: 870.88
  • Catalog: Phosphatase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

LMP7-IN-1

LMP7-IN-1, a Boronic acid derivative, is a potent and selective immunoproteasome subunit LMP7 (β5i) inhibitor with an IC50 of 1.83 nM (WO2021143923A1; compound 20)[1].

  • CAS Number: 2671040-07-4
  • MF: C20H23BN2O6S
  • MW: 430.28
  • Catalog: Proteasome
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

L 691816

L 691816 is a potent, selective and orally active inhibitors of 5-lipoxygenase. L 691816 can be used for the research of allergies and asthma[1].

  • CAS Number: 150461-07-7
  • MF: C36H35ClN6OS
  • MW: 635.22
  • Catalog: 5-Lipoxygenase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Aeruginosin 98-B

Aeruginosin 98-B is a protease inhibitor. Aeruginosin 98-B inhibits trypsin, plasmin and thrombin with IC50 values of 0.6, 7.0 and 10.0 μg/mL, respectively[1].

  • CAS Number: 167228-01-5
  • MF: C29H46N6O9S
  • MW: 654.77500
  • Catalog: Protease-Activated Receptor (PAR)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

PTP1B-IN-14

PTP1B-IN-14 is a selective PTP1B inhibitor (IC50 = 0.72 μM) targeting the allosteric site.

  • CAS Number: 724451-35-8
  • MF: C27H19N5O3S4
  • MW: 589.73
  • Catalog: Phosphatase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

SHP2 protein degrader-1

SHP2 protein degrader-1 is a potent allosteric inhibitor of SHP2. SHP2 protein degrader-1 induces SHP2 degradation and cell apoptosis. SHP2 protein degrader-1 has the potential for researching SHP2 related diseases[1].

  • CAS Number: 2624181-69-5
  • MF: C42H51Cl2N11O8
  • MW: 908.83
  • Catalog: Apoptosis
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

HSP90-IN-20

HSP90-IN-20 (compound 78p) is a potent HSP90 inhibitor with an IC50 of ≤10 μM. HSP90-IN-20 has the potential for cancers research[1].

  • CAS Number: 747414-31-9
  • MF: C26H32N4O4
  • MW: 464.56
  • Catalog: HSP
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Braylin

Braylin, a coumarin, is a potent phosphodiesterase-4 (PDE4) inhibitor and is involved in anti-inflammatory and immunomodulation, which may serve as a potential target for the study of immunoinflammatory diseases[1].

  • CAS Number: 6054-10-0
  • MF: C15H14O4
  • MW: 258.269
  • Catalog: Phosphodiesterase (PDE)
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 441.2±45.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 198.5±28.8 °C

Relacatib

Relacatib (SB-462795) is a novel, potent, and orally active inhibitor of human cathepsins K, L, and V with Ki values of 41 pM, 68 pM, and 53 pM, respectively. Relacatib inhibits endogenous cathepsin K in situ in human osteoclasts and human osteoclast-mediated bone resorption with IC50 values of 45 nM and 70 nM, respectively. Relacatib inhibits bone resorption in vitro in human tissue as well as in cynomolgus monkeys in vivo[1][2].

  • CAS Number: 362505-84-8
  • MF: C27H32N4O6S
  • MW: 540.63100
  • Catalog: Cathepsin
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

PTP Inhibitor IV

PTP Inhibitor IV is a protein tyrosine phosphatase (PTP) inhibitor that competitively inhibits DUSP14 phosphatase activity with an 50 of 5.21 μM[1]. PTP Inhibitor IV inhibits SHP-2, PTP1B, PTP-ε, PTP Meg-2, PTP-σ, PTP-β, and PTP-μ with 50s of 1.8 μM, 2.5 μM, 8.4 μM, 13 μM, 20 μM, 6.4 μM, and 6.7 μM, respectively[2].

  • CAS Number: 329317-98-8
  • MF: C26H26F6N2O4S2
  • MW: 608.616
  • Catalog: Phosphatase
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 578.0±60.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 303.4±32.9 °C

Lyciumin A

Lyciumin A, a cyclic octapeptide, exhibits inhibitory activity on proteases, renin and angiotensin-converting enzyme. Lyciumin A can be used for the research of hypertension[1][2].

  • CAS Number: 125708-06-7
  • MF: C42H51N9O12
  • MW: 873.90700
  • Catalog: Angiotensin-converting Enzyme (ACE)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

CMI-392

CMI-392 is a dual 5-lipoxygenese inhibitor and platelet-activating factor (PAF) receptor antagonist with IC50s of 100 and 10 nM, respectively.

  • CAS Number: 205654-37-1
  • MF: C31H37ClN2O8S
  • MW: 633.15
  • Catalog: 5-Lipoxygenase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

NCT-58

NCT-58 is a potent inhibitor of C-terminal HSP90. NCT-58 does not induce the heat shock response (HSR) due to its targeting of the C-terminal region and elicits anti-tumor activity via the simultaneous downregulation of HER family members as well as inhibition of Akt phosphorylation. NCT-58 kills Trastuzumab-resistant breast cancer stem-like cells. NCT-58 induces apoptosis in HER2-positive breast cancer cells[1].

  • CAS Number: 2411429-33-7
  • MF: C27H34N2O5
  • MW: 466.57
  • Catalog: Apoptosis
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

DD1

DD1, a proteasome inhibitor, targets Bax activation and P70S6K degradation during acute myeloid leukemia (AML) apoptosis. DD1 induces apoptosis in the caspase-dependent manner. DD1 induces mitochondrial membrane depolarization and Bad dephosphorylation[1].

  • CAS Number: 187585-11-1
  • MF: C16H14N2O3
  • MW: 282.29400
  • Catalog: Ribosomal S6 Kinase (RSK)
  • Density: 1.337g/cm3
  • Boiling Point: 479.2ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 233.6ºC

MAGLi 432

MAGLi 432 is a non-covalent, potent, highly selective, and reversible MAGL inhibitor. MAGLi 432 binds with high affinity to the MAGL active site, with IC50 values of 4.2 nM (human enzyme) and 3.1 nM (mouse enzyme). MAGLi 432 can be used in the research of chronic inflammation, blood–brain barrier dysfunction, neurological disorders such as multiple sclerosis, Alzheimer’s disease and Parkinson’s disease[1].

  • CAS Number: 2361575-20-2
  • MF: C22H24BrClN2O2
  • MW: 463.80
  • Catalog: MAGL
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Capzimin

Capzimin is a potent and moderately specific proteasome isopeptidase Rpn11 inhibitor.

  • CAS Number: 2084868-04-0
  • MF: C30H24N6O2S4
  • MW: 628.81
  • Catalog: Proteasome
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Acetyl tetrapeptide-5

Acetyl tetrapeptide-5 inhibits glycosylation and ACE-1 activity. Acetyl tetrapeptide-5 reduces edema and relieves vascular pressure by improving the vascular system and strengthening the skin under the eyes. Acetyl tetrapeptide-5 can be used in the research of Antioxidant, anti-aging skin care[1][2][3].

  • CAS Number: 820959-17-9
  • MF: C20H28N8O7
  • MW: 492.486
  • Catalog: Angiotensin-converting Enzyme (ACE)
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 1237.3±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 702.1±34.3 °C

ATX inhibitor 5

ATX inhibitor 5 is a potent and orally active autotaxin (ATX) inhibitor, with an IC50 of 15.3 nM. ATX inhibitor 5 has anti-hepatofibrosis effect, and reduces CCl4-induced hepatic fibrosis level prominently[1].

  • CAS Number: 2402772-45-4
  • MF: C22H18ClF3N6O
  • MW: 474.87
  • Catalog: Phosphodiesterase (PDE)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

SMAP-2

SMAP-2 (DT-1154) is an orally bioavailable phosphatase 2A (PP2A) activator which binds to the PP2A Aα scaffold subunit to drive conformational changes in PP2A. SMAP-2 (DT-1154) inhibits the growth of KRAS-mutant lung cancers [1].

  • CAS Number: 1809068-70-9
  • MF: C27H27F3N2O4S
  • MW: 532.57
  • Catalog: Phosphatase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

GW4064

GW 4064 is a potent FXR agonist with EC50 of 65 nM.

  • CAS Number: 278779-30-9
  • MF: C28H22Cl3NO4
  • MW: 542.838
  • Catalog: FXR
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 702.1±60.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 378.4±32.9 °C

PC945

PC945 is a novel broad spectrum antifungal agent that potently inhibits Aspergillus fumigatus sterol 14α-demethylase (CYP51A and CYP51B) with IC50 of 0.23 and 0.22 uM, respectively; shows MIC values 0.032 to >8 ug/ml against 96 clinically isolated A. fumigatus strains, demonstrates activity against itraconazole-susceptible and -resistant A. fumigatus growth with IC50 of 0.0012 to 0.034 ug/ml; PC945 is a broad spectrum of pathogenic fungi with MIC 0.0078 to 2 ug/ml, and exhibits activity in vivo. Fungal Infection Phase 1 Clinical

  • CAS Number: 1931946-73-4
  • MF: C38H37F3N6O3
  • MW: 682.748
  • Catalog: Fungal
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

CAY10502

CAY10502 is a potent, calcium-dependent cytosolic phospholipase A2 α (cPLA2α) inhibitor with an IC50 of 4.3 nM for isolated enzyme. CAY10502 can be used in the research of retinopathy and inflammatory diseases[1][2][3].

  • CAS Number: 888320-29-4
  • MF: C30H37NO7
  • MW: 523.617
  • Catalog: Phospholipase
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 693.6±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 373.3±31.5 °C

XY 018

XY018 is a potent ROR-γ-selective antagonist. XY018 inhibits ROR-γ constitutive activity in 293T cells with high potency (EC50, 190 nM). XY018 binds to the ROR-γ hydrophobic ligand binding domain (LBD)[1].

  • CAS Number: 1873358-87-2
  • MF: C23H15F7N2O4
  • MW: 516.37
  • Catalog: ROR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Gemfibrozil 1-O-β-glucuronide

Gemfibrozil 1-O-β-Glucuronide, a metabolite of Gemfibrozil (CI-719; HY-B0258), is a potent and competitive P450 (CYP) isoform CYP2C8 inhibitor with an IC50 of 4.07 μM[1][2].

  • CAS Number: 91683-38-4
  • MF: C21H30O9
  • MW: 426.45800
  • Catalog: PPAR
  • Density: 1.32g/cm3
  • Boiling Point: 611.2ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 208.4ºC

DY268

DY268 is a farnesoid X receptor (FXR) antagonist (IC50=7.5 nM in a time-resolved FRET assay). It inhibits FXR transactivation in a cell-based assay with an IC50 value of 468 nM[1].

  • CAS Number: 1609564-75-1
  • MF: C30H32N4O5S
  • MW: 560.664
  • Catalog: FXR
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

AN3199

AN3199 is a PDE4 inhibitor with IC50 of 94.5 nM.IC50 value: 94.5 nM [1]Target: PDE4The detailed information please refer to Compound 11 in the reference.

  • CAS Number: 1187187-10-5
  • MF: C17H18BNO5
  • MW: 327.139
  • Catalog: Phosphodiesterase (PDE)
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 468.7±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 237.3±31.5 °C

Inz-1

Inz-1 is a potent and selective mitochondrial cytochrome bc1 inhibitor for yeast (IC50=8.092 μM) over humans (IC50=45.320 μM). Inz-1 reverses Fluconazole (HY-B0101) or other triazole antifungals’ resistance in the pathogenic fungus Candida albicans[1].

  • CAS Number: 897776-15-7
  • MF: C16H14N2O2
  • MW: 266.29
  • Catalog: Fungal
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A