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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Aclarubicin

Aclacinomycin A (Aclarubicin) is an orally active and potent anthracycline antitumor antibiotic. Aclacinomycin A is an inhibitor of topoisomerase I and II. Aclacinomycin A inhibits synthesis of nucleic acid, especially RNA. Aclacinomycin A might inhibit the 26S protease complex as well as the ubiquitin-ATP-dependent proteolysis[1][2][3].

  • CAS Number: 57576-44-0
  • MF: C42H53NO15
  • MW: 811.86800
  • Catalog: DNA/RNA Synthesis
  • Density: 1.42 g/cm3
  • Boiling Point: 897.7ºC at 760 mmHg
  • Melting Point: 151-153ºC
  • Flash Point: 496.7ºC

biochanin A

Biochanin A is a naturally occurring fatty acid amide hydrolase (FAAH) inhibitor, which inhibits FAAH with IC50s of 1.8, 1.4 and 2.4 μM for mouse, rat, and human FAAH, respectively.

  • CAS Number: 491-80-5
  • MF: C16H12O5
  • MW: 284.263
  • Catalog: FAAH
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 518.6±50.0 °C at 760 mmHg
  • Melting Point: 210-213 °C(lit.)
  • Flash Point: 198.3±23.6 °C

fenvalerate

Fenvalerate is a potent protein phosphatase 2B (calcineurin) inhibitor with an IC50 of 2-4 nM for PP2B-Aα. Fenvalerate is a pyrethroid ester insecticide and acaricide[1].

  • CAS Number: 51630-58-1
  • MF: C25H22ClNO3
  • MW: 419.900
  • Catalog: Bacterial
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 538.9±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 279.7±30.1 °C

β-Tocopherol

β-Tocopherol is an analogue of vitamin E, exhibits antioxidant properties. β-Tocopherol can inhibit tyrosinase activity and melanin synthesis. β-Tocopherol also can prevent the inhibition of cell growth and of PKC activity caused by d-alpha-tocopherol[1][2][3].

  • CAS Number: 16698-35-4
  • MF: C28H48O2
  • MW: 416.68000
  • Catalog: Tyrosinase
  • Density: 0.933g/cm3
  • Boiling Point: 516.267°C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 204.683°C

ML-030

ML-030 is a potent PDE4 inhibitor, with IC50 of 6.7 nM, 12.9 nM, 48.2 nM, 37.2 nM, 452 nM and 49.2 nM for PDE4A, PDE4A1, PDE4B1, PDE4B2, PDE4C1,and PDE4D2, respectively.

  • CAS Number: 1013750-77-0
  • MF: C20H20N4O4S
  • MW: 412.462
  • Catalog: Phosphodiesterase (PDE)
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 633.2±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 336.7±34.3 °C

(-)-Talarozole

(-)-Talarozole is a potent inhibitor of retinoic acid metabolism extracted from patent WO 1997049704 A1.

  • CAS Number: 201410-67-5
  • MF: C21H23N5S
  • MW: 377.51
  • Catalog: RAR/RXR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Chalepensin

Chalepensin, a furanocoumarin, is a competitive CYP2A6 inhibitor. Chalepensin also inhibits human CYP1A1, CYP1A2, CYP2A13, CYP2C9, CYP2D6, CYP2E1, and CYP3A4 to different extents[1].

  • CAS Number: 13164-03-9
  • MF: C16H14O3
  • MW: 254.28100
  • Catalog: Cytochrome P450
  • Density: 1.211g/cm3
  • Boiling Point: 390.5ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 190ºC

Homo Sildenafil-d5

Homo Sildenafil-d5 is the deuterium labeled Homo Sildenafil. Homo Sildenafil, an analog of Sildenafil, acts as a phosphodiesterase inhibitor[1][2].

  • CAS Number: 1216711-61-3
  • MF: C23H27D5N6O4S
  • MW: 493.63
  • Catalog: Phosphodiesterase (PDE)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

KAR-5585

Rodatristat ethyl (KAR5585) is an orally active tryptophan hydroxylase 1 (TPH1) inhibitor with nanomolar in vitro potency. Rodatristat ethyl reduces the level of 5-HT and significantly reduces pulmonary arterial hypertension (PAH)[1][2].

  • CAS Number: 1673571-51-1
  • MF: C29H31ClF3N5O3
  • MW: 590.04
  • Catalog: Tryptophan Hydroxylase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Stigmasterol glucoside

Stigmasterol glucoside is a sterol isolated from P. urinaria with high antioxidant and anti-inflammatory activities[1], act as an inhibitor of 5α-reductase with an IC50 of 27.2 µM[2].

  • CAS Number: 19716-26-8
  • MF: C35H58O6
  • MW: 574.831
  • Catalog: 5 alpha Reductase
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 673.6±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 361.2±31.5 °C

C12 NBD-SPHINGOMYELIN

C12 NBD sphingomyelin is an active derivative of sphingomyelin (HY-113498) that is tagged with fluorescent C12 nitrobenzoxadiazole (C12 NBD). C12 NBD sphingomyelin can be used as a sphingomyelinase substrate for studying the metabolism and transport of sphingomyelins (Ex=470 nm, Em=525 nm)[1].

  • CAS Number: 254117-01-6
  • MF: C41H73N6O9P
  • MW: 825.027
  • Catalog: Phospholipase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Tectol

Tectol, isolated from Lippia sidoides, exhibits significant activity against human leukemia cell lines HL60 and CEM[1]. Tectol is a farnesyltransferase (FTase) inhibitor with IC50s of 2.09 and 1.73 μM for human and T. brucei FTase. Tectol inhibits drug-resistant strain of P. falciparum (FcB1) with an IC50 of 3.44 μM[1][2].

  • CAS Number: 24449-39-6
  • MF: C30H26O4
  • MW: 450.52500
  • Catalog: Farnesyl Transferase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

chymostatin

Chymostatin is a potent cathepsin G inhibitor. Chymostatin inhibits fungal growth when combined with other pepsin inhibitors. Chymostatin can be used for acute lung injury and pancreatitis research[1].

  • CAS Number: 9076-44-2
  • MF: C31H41N7O6
  • MW: 607.701
  • Catalog: Cathepsin
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: 276-278℃
  • Flash Point: N/A

DHODH-IN-9

DHODH-IN-9 (Compound 10k) is an azine-bearing analogue and is a human dihydroorotate dehydrogenase inhibitor. DHODH-IN-9 has antiviral effect with a pMIC50 of 7.4[1].

  • CAS Number: 1644156-41-1
  • MF: C21H23FN4O
  • MW: 366.43
  • Catalog: Influenza Virus
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

licopyranocoumarin

Licopyranocoumarin is an isoflavonoid that shows CYP3A4 inhibitory activity with an IC50 of 32 μM. Licopyranocoumarin has potent neuroprotective activities[1].

  • CAS Number: 117038-80-9
  • MF: C21H20O7
  • MW: 384.37900
  • Catalog: Cytochrome P450
  • Density: 1.397g/cm3
  • Boiling Point: 675.3ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 242.9ºC

Dabigatran (ethyl ester)

ethyl ester of Dabigatran, which is an emerging oral anticoagulant which is a direct inhibitor of thrombin activity. IC50 value:Target: thrombinDabigatran provides a stable anticoagulation effect without any need to perform periodical laboratory controls. Of note, there is a growing amount of clinical evidence which shows its safety and efficacy. For these reasons, Dabigatran may suppose a revolution in oral anticoagulation. Dabigatran etexilate was rapidly converted to Dabigatran, with peak plasma dabigatran concentrations being attained after approximately 1.5 h; the bioavailability of Dabigatran after p.o. administration of Dabigatran etexilate was 7.2%.

  • CAS Number: 429658-95-7
  • MF: C27H29N7O3
  • MW: 499.564
  • Catalog: Thrombin
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 759.5±70.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 413.1±35.7 °C

CAY10581

CAY10581, a pyranonaphthoquinone derivative, is a highly specific and reversible uncompetitive IDO Inhibitor with an IC50 of 55 nM[1][2].

  • CAS Number: 1018340-07-2
  • MF: C22H21NO4
  • MW: 363.406
  • Catalog: Indoleamine 2,3-Dioxygenase (IDO)
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 548.8±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 285.7±30.1 °C

Indirubin-3'-monoxime

Indirubin-3'-monoxime is a potent GSK-3β inhibitor, and weakly inhibits 5-Lipoxygenase, with IC50s of 22 nM and 7.8-10 µM, respectively; Indirubin-3'-monoxime also shows inhibitory activities against CDK5/p25 and CDK1/cyclin B, with IC50s of 100 and 180 nM.

  • CAS Number: 160807-49-8
  • MF: C16H11N3O2
  • MW: 277.277
  • Catalog: 5-Lipoxygenase
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 532.2±50.0 °C at 760 mmHg
  • Melting Point: 241 °C
  • Flash Point: 275.7±30.1 °C

Manumycin A

Manumycin A is an antibiotic. Manumycin A acts as a selective, competitive inhibitor of protein farnesyltransferase (FTase) with respect to farnesylpyrophosphate (Ki =1.2 μM), and as a noncompetitive inhibitor with respect to the Ras protein. Manumycin A induces apoptosis and exerts antitumor activity[1] [2][3].

  • CAS Number: 52665-74-4
  • MF: C31H38N2O7
  • MW: 550.643
  • Catalog: Apoptosis
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 863.6±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 476.1±34.3 °C

3-O-Acetyl-11-hydroxy-beta-boswellic acid

3-O-Acetyl-11-hydroxy-beta-boswellic acid is a potent 5-lipoxygenase (5-LO) inhibitor[1].

  • CAS Number: 146019-25-2
  • MF: C32H50O5
  • MW: 514.746
  • Catalog: 5-Lipoxygenase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: 160-162 °C
  • Flash Point: N/A

Broussochalcone A

Broussochalcone A is an antioxidant and an inhibitor of Xanthine Oxidase (IC50=2.21 μM), with free radical scavenging activity. Broussochalcone A inhibits iron-induced lipid peroxidation and nitric oxide synthesis in lipopolysaccharide (LPS) -activated macrophages. Broussochalcone A also induces Apoptosis of human renal carcinoma cells by increasing ROS levels and activating FOXO3 signaling pathways[1][2].

  • CAS Number: 99217-68-2
  • MF: C20H20O5
  • MW: 340.37000
  • Catalog: Apoptosis
  • Density: 1.312g/cm3
  • Boiling Point: 595ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 327.7ºC

CORT 118335

CORT 118335 (Miricorilant, C118335) is a novel potent, selective, non-steroidal glucocorticoid receptor (GR) antagonist with Ki of 8 nM, shows modest affinity for MR.

  • CAS Number: 1400902-13-7
  • MF: C24H23F3N2O2
  • MW: 428.447
  • Catalog: Glucocorticoid Receptor
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

BAPTA tetrasodium

BAPTA tetrasodium is a selective chelator for calcium. BAPTA tetrasodium, as calcium indicator, has high selectivity against magnesium and calcium. BAPTA tetrasodium is widely used as an intracellular buffer for investigating the effects of Ca2+ release from intracellular stores or influx via Ca2+-permeable channels in the plasma membrane. BAPTA tetrasodium can also inhibit phospholipase C activity independently of their role as Ca2+ chelators[1][2][3].

  • CAS Number: 126824-24-6
  • MF: C22H20N2Na4O10
  • MW: 564.361
  • Catalog: Phospholipase
  • Density: N/A
  • Boiling Point: 766.6ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 417.4ºC

Papain

Papain is a cysteine protease of the peptidase C1 family, which is used in food, pharmaceutical, textile, and cosmetic industries.

  • CAS Number: 9001-73-4
  • MF: C19H29N7O6
  • MW: 451.477
  • Catalog: Cathepsin
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: 29 °C

TD-106

TD-106 is a cereblon (CRBN) modulator, which can be used for targeted protein degradation. BRD4 PROTACs with TD-106 induce BRD4 degradation[1].

  • CAS Number: 2250288-69-6
  • MF: C12H11N5O3
  • MW: 273.25
  • Catalog: E1/E2/E3 Enzyme
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Malonganenone A

Malonganenone A is a selective plasmodial Hsp70s modulator. It also has antimalarial activity.

  • CAS Number: 882403-69-2
  • MF: C26H38N4O2
  • MW: 438.61
  • Catalog: HSP
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

CB2R/FAAH modulator-2

CB2R/FAAH modulator-2 (compound 26) is a dual targeting modulator that acts as a CB2R agonist and FAAH inhibitor. The Ki values for CB2R/FAAH modulator-2 are 10.8 and 152.9 nM for CB2R and CB1R, respectively, and the IC50 value for FAAH is 6.2 μM. CB2R/FAAH modulator-2 can be used in studies related to cancer, deleterious inflammatory cascades occurring in neurodegenerative diseases, and COVID-19 infection[1].

  • CAS Number: 2876918-68-0
  • MF: C24H33NO2
  • MW: 367.52
  • Catalog: Cannabinoid Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Prunin

Prunin is a potent inhibitor of human enterovirus A71 (HEVA71). Prunin shows strong inhibitory activity against protein tyrosine phosphatase 1B (PTP1B), with an IC50 of 5.5 µM[1][2].

  • CAS Number: 529-55-5
  • MF: C21H22O10
  • MW: 434.393
  • Catalog: Phosphatase
  • Density: 1.6±0.1 g/cm3
  • Boiling Point: 802.4±65.0 °C at 760 mmHg
  • Melting Point: 222-224ºC
  • Flash Point: 284.6±27.8 °C

TM6089

TM6089 is a unique Prolyl Hydroxylase (PHD) inhibitor which stimulates HIF activity without iron chelation and induces angiogenesis and exerts organ protection against ischemia. Local administration of TM6089 enhances angiogenesis, and oral administration stimulates HIF activity in transgenic rats expressing a hypoxia-responsive reporter vector[1].

  • CAS Number: 863421-32-3
  • MF: C13H14N4O3S
  • MW: 306.34
  • Catalog: HIF/HIF Prolyl-Hydroxylase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

SI-113

SI-113(SI113;SI 113) is a potent, specific inhibitor of the SGK1 kinase activity, induces autophagy, apoptosis and ER stress in cancer cells; blocks insulin-dependent phosphorylation of the Sgk1 substrate Mdm2, and induces necrosis and apoptosis in RKO cells; potentiates the effects of paclitaxel on cell viability; active in vivo.

  • CAS Number: 1392816-46-4
  • MF: C23H24N6O
  • MW: 400.486
  • Catalog: SGK
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A