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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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
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Tipifarnib (S enantiomer)

Tipifarnib S enantiomer is the S-enantiomer of Tipifarnib. Tipifarnib is a potent and specific farnesyltransferase (FTase) inhibitor with IC50 of 0.6 nM. Tipifarnib S enantiomer is the less active isomer.

  • CAS Number: 192185-71-0
  • MF: C27H22Cl2N4O
  • MW: 489.39600
  • Catalog: Farnesyl Transferase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Indoximod

Indoximod (D-1MT, NLG8189) is an indoleamine 2,3-dioxygenase (IDO) pathway inhibitor with a Ki of 19 μM.

  • CAS Number: 110117-83-4
  • MF: C12H14N2O2
  • MW: 218.252
  • Catalog: Indoleamine 2,3-Dioxygenase (IDO)
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 429.3±35.0 °C at 760 mmHg
  • Melting Point: 242-245 ℃(lit.)
  • Flash Point: 213.4±25.9 °C

Caffeic acid

Caffeic acid is an inhibitor of both TRPV1 ion channel and 5-Lipoxygenase (5-LO).

  • CAS Number: 331-39-5
  • MF: C9H8O4
  • MW: 180.157
  • Catalog: TRP Channel
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 416.8±35.0 °C at 760 mmHg
  • Melting Point: 211-213 °C (dec.)(lit.)
  • Flash Point: 220.0±22.4 °C

Lp-PLA2-IN-5

Lp-PLA2-IN-5 is a potent inhibitor of lipoprotein-associated phospholipase A2 (Lp-PLA2). Lp-PLA2 previously known as platelet- activating factor acetylhydrolase (PAF-AH), is a phospholipase A2 enzyme involved in hydrolysis of lipoprotein lipids or phospholipids. Lp-PLA2-IN-5 has the potential for the research of diseases associated with the activity of Lp-PLA2, for example atherosclerosis, Alzheimer's disease (extracted from patent WO2021228159A1, compound 32)[1].

  • CAS Number: 2738877-85-3
  • MF: C23H18F5N3O4
  • MW: 495.40
  • Catalog: Phospholipase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Magnolol

Magnolol, a natural lignan isolated from the stem bark of Magnolia officinalis, is a dual agonist of both RXRα and PPARγ, with EC50 values of 10.4 µM and 17.7 µM, respectively.

  • CAS Number: 528-43-8
  • MF: C18H18O2
  • MW: 266.334
  • Catalog: Autophagy
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 401.0±40.0 °C at 760 mmHg
  • Melting Point: 99 - 101ºC
  • Flash Point: 184.5±21.9 °C

Tazarotene

Tazarotene is a selective retinoic acid receptor (RAR) agonist for the treatment of plaque psoriasis and acne vulgaris.

  • CAS Number: 118292-40-3
  • MF: C21H21NO2S
  • MW: 351.462
  • Catalog: RAR/RXR
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 499.8±45.0 °C at 760 mmHg
  • Melting Point: 97-98ºC
  • Flash Point: 256.1±28.7 °C

BOLD-100

BOLD-100 is a ruthenium-based anticancer agent. BOLD-100 also is an inhibitor of stress-induced GRP78 upregulation, disrupting endoplasmic reticulum (ER) homeostasis and inducing ER stress and unfolded protein response (UPR). BOLD-100 interferes with the complex interplay between ER-stress response, lysosome dynamics, and autophagy execution[1].

  • CAS Number: 783324-98-1
  • MF: C14H12Cl4N4Ru
  • MW: 479.15
  • Catalog: Autophagy
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Taxifolin

Taxifolin exhibits important anti-tyrosinase activity. Taxifolin exhibits significant inhibitory activity against collagenase with an IC50 value of 193.3 μM.

  • CAS Number: 480-18-2
  • MF: C15H12O7
  • MW: 304.252
  • Catalog: Autophagy
  • Density: 1.7±0.1 g/cm3
  • Boiling Point: 687.6±55.0 °C at 760 mmHg
  • Melting Point: 230-233°C (dec.)
  • Flash Point: 264.2±25.0 °C

Hirullin

Hirullin P18 is a potent thrombin inhibitor. Hirullin P18 has an anticoagulant effect[1].

  • CAS Number: 131147-81-4
  • MF: C68H96N14O29
  • MW: 1573.57
  • Catalog: Thrombin
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

SBFI-26

SBFI-26 is a selective and competitive inhibitor of fatty acid binding proteins FABP5 and FABP7, with Kis of 0.9 µM and 0.4 µM for FABP5 and FABP7, respectively. SBFI-26 produces anti-nociceptive and anti-inflammatory effects[1][2].

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

Tubulin polymerization-IN-25

Tubulin polymerization-IN-25 (compound 17f) is a dual inhibitor of tubulin polymerization and farnesyl transferase (FTase) with IC50s of 1.11 μM and 0.39 μM, respectively. Tubulin polymerization-IN-25 displays cytotoxicity and excellent antitumor activity [1].

  • CAS Number: 2490538-46-8
  • MF: C24H18N2O3S
  • MW: 414.48
  • Catalog: Microtubule/Tubulin
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Tyrosinase-IN-10

Tyrosinase-IN-10 (Compound 23) is a partially competitive tyrosinase inhibitor with an IC50 of 1.6 μM against tyrosinase activity from human melanoma cell lysates[1].

  • CAS Number: 2873418-48-3
  • MF: C16H12O4
  • MW: 268.26
  • Catalog: Tyrosinase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Geldanamycin

Geldanamycin is a Hsp90 inhibitor with antimicrobial activity against many Gram-positive and some Gram-negative bacteria.

  • CAS Number: 30562-34-6
  • MF: C29H40N2O9
  • MW: 560.636
  • Catalog: HSP
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 783.9±60.0 °C at 760 mmHg
  • Melting Point: 255 °C
  • Flash Point: 427.9±32.9 °C

Loureirin B

Loureirin B, a flavonoid extracted from Dracaena cochinchinensis, is an inhibitor of plasminogen activator inhibitor-1 (PAI-1), with an IC50 of 26.10 μM; Loureirin B also inhibits KATP, the phosphorylation of ERK and JNK, and has anti-diabetic activity.

  • CAS Number: 119425-90-0
  • MF: C18H20O5
  • MW: 316.348
  • Catalog: Potassium Channel
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 509.9±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 184.0±23.6 °C

AM580

AM580 is a selective RARα agonist with IC50 and EC50 of 8 nM and 0.36 nM, respectively.

  • CAS Number: 102121-60-8
  • MF: C22H25NO3
  • MW: 351.439
  • Catalog: Autophagy
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 461.0±45.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 232.6±28.7 °C

Gnetol

Gnetol is a phenolic compound isolated from the root of Gnetum ula Brongn. Gnetol potently inhibits COX-1 (IC50 of 0.78 μM) and HDAC. Gnetol is a potent tyrosinase inhibitor with an IC50 of 4.5 μM for murine tyrosinase and suppresses melanin biosynthesis. Gnetol has antioxidant, antiproliferative, anticancer and hepatoprotective activity. Gnetol also possesses concentration-dependent α-Amylase, α-glucosidase, and adipogenesis activities[1][2][3].

  • CAS Number: 86361-55-9
  • MF: C14H12O4
  • MW: 244.243
  • Catalog: HDAC
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 540.8±30.0 °C at 760 mmHg
  • Melting Point: 87 - 90ºC
  • Flash Point: 269.7±19.2 °C

1-Aminobenzotriazole

1-Aminobenzotriazole is a nonspecific and irreversible inhibitor of cytochrome P450 (P450).

  • CAS Number: 1614-12-6
  • MF: C6H6N4
  • MW: 134.139
  • Catalog: Cytochrome P450
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 319.3±25.0 °C at 760 mmHg
  • Melting Point: 81-84 °C(lit.)
  • Flash Point: 146.9±23.2 °C

2',5,6',7-Tetrahydroxyflavone

5,7,2',6'-Tetrahydroxyflavone is a natural flavonoid that inhibits hepatic testosterone 6β-hydroxylation (CYP3A4) activity with an IC50 of 7.8 μM[1].

  • CAS Number: 82475-00-1
  • MF: C15H10O6
  • MW: 286.23600
  • Catalog: Cytochrome P450
  • Density: 1.654g/cm3
  • Boiling Point: 589ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 228.9ºC

Carpro-AM1

Carpro-AM1 is a dual-acting FAAH/substrate-selective COX inhibitor with an IC50 value of 94 nM for FAAH[1].

  • CAS Number: 2499489-76-6
  • MF: C21H18ClN3O
  • MW: 363.84
  • Catalog: COX
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

DASA-58

DASA-58 is a potent activator of pyruvate kinase M2 (PKM2) with an AC90 of 680 nM, and an AC50 of 38 nM.

  • CAS Number: 1203494-49-8
  • MF: C19H23N3O6S2
  • MW: 453.532
  • Catalog: Pyruvate Kinase
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 681.5±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 366.0±34.3 °C

Imeglimin

Imeglimin is the first antidiabetic compound that induces an increase in mitochondrial phospholipid composition, contributing to improvements in hepatic mitochondrial function.

  • CAS Number: 775351-65-0
  • MF: C6H13N5
  • MW: 155.20100
  • Catalog: Mitochondrial Metabolism
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Cilofexor

Cilofexor is a farnesoid X receptor (FXR) agonist.

  • CAS Number: 1418274-28-8
  • MF: C28H22Cl3N3O5
  • MW: 586.850
  • Catalog: FXR
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 855.5±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 471.2±34.3 °C

Gentiopicroside

Gentiopicroside, a naturally occurring iridoid glycoside, inhibits P450 activity, with an IC50 and a Ki of 61 µM and 22.8 µM for CYP2A6; Gentiopicroside has antianti-inflammatoryand antioxidative effects.

  • CAS Number: 20831-76-9
  • MF: C16H20O9
  • MW: 356.325
  • Catalog: Cytochrome P450
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 667.8±55.0 °C at 760 mmHg
  • Melting Point: 191°C
  • Flash Point: 247.1±25.0 °C

PD 134922

PD 134922 is a potent renin and HIV-1 protease inhibitor with an IC50 of 15 nM against HIV-1 protease[1].

  • CAS Number: 150351-30-7
  • MF: C37H61N5O7S
  • MW: 719.97500
  • Catalog: HIV Protease
  • Density: 1.19g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Tauro-α-muricholic acid sodium

Tauro-α-muricholic acid (T-α-MCA) sodium is a FXR (Farnesoid X receptor) antagonist (IC50=28μM). Tauro-α-muricholic acid sodium is also a endogenous metabolite that can be found in cecal[1][2].

  • CAS Number: 2260905-08-4
  • MF: C26H44NNaO7S
  • MW: 537.68
  • Catalog: FXR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Vicenin -1

Vicenin 1 is a C-glycosylflavone isolated from the aerial parts of Desmodium styracifolium, has an inhibitory effect on angiotensin-converting enzyme (ACE)(IC50=52.50 μM)[1].

  • CAS Number: 35927-38-9
  • MF: C26H28O14
  • MW: 564.49200
  • Catalog: Angiotensin-converting Enzyme (ACE)
  • Density: 1.766±0.06 g/cm3
  • Boiling Point: N/A
  • Melting Point: 230 ºC (decomp)
  • Flash Point: N/A

Sodium chenodeoxycholate

Chenodeoxycholic acid sodium is a hydrophobic primary bile acid that activates nuclear receptors (FXR) involved in cholesterol metabolism.

  • CAS Number: 2646-38-0
  • MF: C24H39NaO4
  • MW: 414.55
  • Catalog: Autophagy
  • Density: N/A
  • Boiling Point: 547.1ºC at 760mmHg
  • Melting Point: 298 °C(dec.)
  • Flash Point: 298.8ºC

Amsilarotene

Amsilarotene (TAC-101; Am 555S), an orally active synthetic retinoid, has selective affinity for retinoic acid receptor α (RAR-α) binding with Ki of 2.4, 400 nM for RAR-α and RAR-β. Amsilarotene induces the apoptotic of human gastric cancer, hepatocellular carcinoma and ovarian carcinoma cells. Amsilarotene can be used for the research of cancer[1][2][3].

  • CAS Number: 125973-56-0
  • MF: C20H27NO3Si2
  • MW: 385.604
  • Catalog: Apoptosis
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 403.3±45.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 197.7±28.7 °C

Ebronucimab

Ebronucimab (AK102) is an IgG1-λ2 antibody targeting PCSK9 and is primarily expressed by CHO DG44 (Chinese Hamster Ovary) cells[1].

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

Tipifarnib (R115777)

Tipifarnib is a potent and specific farnesyltransferase (FTase) inhibitor with IC50 of 0.6 nM, and the anti-proliferative effects are most prominent in H-ras or N-ras mutant cells.

  • CAS Number: 192185-72-1
  • MF: C27H22Cl2N4O
  • MW: 489.396
  • Catalog: Farnesyl Transferase
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 681.7±55.0 °C at 760 mmHg
  • Melting Point: 211-213ºC (dec.)
  • Flash Point: 366.1±31.5 °C