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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Rentiapril racemate

Rentiapril racemate is the racemate of Rentiapril. Rentiapril is an angiotensin converting enzyme (ACE) inhibitor.

  • CAS Number: 72679-47-1
  • MF: C13H15NO4S2
  • MW: 313.39300
  • Catalog: Angiotensin-converting Enzyme (ACE)
  • Density: 1.451g/cm3
  • Boiling Point: 553.7ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 288.7ºC

PDE5/HDAC-IN-1

PDE5/HDAC-IN-1 (Compound 26) is a potent phosphodiesterase 5 (PDE5) and HDAC inhibitor with IC50 values of 46.3 nM and 14.5 nM, respectively. PDE5/HDAC-IN-1 induces cell apoptosis and shows anticancer activities[1].

  • CAS Number: 2414921-48-3
  • MF: C27H29BrN4O4
  • MW: 553.45
  • Catalog: Apoptosis
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Adjudin

Adjudin is an extensively studied male contraceptive with a superior mitochondria-inhibitory effect. Adjudin is also a potent Cl- channel blocker.

  • CAS Number: 252025-52-8
  • MF: C15H12Cl2N4O
  • MW: 335.188
  • Catalog: Chloride Channel
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Lovastatin-d3 hydroxy acid sodium

Lovastatin-d3 hydroxy acid (Mevinolinic acid-d3) sodium is the deuterium labeled Lovastatin hydroxy acid sodium. Lovastatin hydroxy acid sodium (Mevinolinic acid sodium) is a highly potent inhibitor of HMG-CoA reductase with a Ki of 0.6 nM[1].

  • CAS Number: 1217528-38-5
  • MF: C24H35D3NaO6
  • MW: 447.56
  • Catalog: HMG-CoA Reductase (HMGCR)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

HNHA

HNHA is a potent histone deacetylase (HDAC) inhibitor. HNHA arrests the cell cycle at the G1/S phase via p21 induction. HNHA inhibits tumor growth and tumor neovascularization. HNHA may be a potent anti-cancer agent against breast cancer[1].

  • CAS Number: 926908-04-5
  • MF: C17H21NO2S
  • MW: 303.42
  • Catalog: HDAC
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Batimastat

Batimastat is a potent broad spectrum MMP inhibitor with IC50 of 3, 4, 4, 6, and 20 nM for MMP-1, MMP-2, MMP-9, MMP-7 and MMP-3, respectively.

  • CAS Number: 130370-60-4
  • MF: C23H31N3O4S2
  • MW: 477.640
  • Catalog: MMP
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: 236-238°
  • Flash Point: N/A

Polmacoxib

Polmacoxib (CG100649) is a first-in-class, orally active nonsteroidal anti-inflammatory drug (NSAID) which is a dual inhibitor of COX-2 (IC50 around 0.1 μg/ml) and carbonic anhydrase[1]. Polmacoxib inhibits colorectal adenoma and tumor growth in mouse models[2].

  • CAS Number: 301692-76-2
  • MF: C18H16FNO4S
  • MW: 361.38700
  • Catalog: COX
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

N-STEAROYL-D-SPHINGOMYELIN

N-Stearoylsphingomyelin (N-Stearoyl-D-sphingomyelin) is a sphingolipid, which can inhibit Phospholipase Cδ1 (PLCδ1)[1].

  • CAS Number: 58909-84-5
  • MF: C41H83N2O6P
  • MW: 731.08100
  • Catalog: Phospholipase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Nampt-IN-9

Nampt-IN-9 (Compound 8) is a potent NAMPT inhibitor with anticancer activities. Nampt-IN-9 can be used for pancreatic ductal adenocarcinoma research[1].

  • CAS Number: 2180973-35-5
  • MF: C26H33N3O4
  • MW: 451.56
  • Catalog: Nampt
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

PCSK9-IN-20

PCSK9-IN-20 (Compound 3i) is a PCSK9 inhibitor with an IC50 of 3.96 µM. PCSK9-IN-20 decreases PCSK9 and increases LDLR protein expression in vitro[1].

  • CAS Number: 2929219-77-0
  • MF: C27H32N6O5S2
  • MW: 584.71
  • Catalog: Ser/Thr Protease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Phenethyl ferulate

Phenethyl ferulate is a major constituent ofQianghuo, shows inhibitory activity against cyclooxygenase (COX) and 5-lipoxygenase (5-LOX) with IC50 values of 4.35 μM and 5.75 μM, respectively[1].

  • CAS Number: 71835-85-3
  • MF: C18H18O4
  • MW: 298.33
  • Catalog: COX
  • Density: 1.193g/cm3
  • Boiling Point: 474.7ºC at 760 mmHg
  • Melting Point: 81℃
  • Flash Point: 171.6ºC

TCS 401

TCS 401 is a selective inhibitor of protein tyrosine phosphatase 1B (PTP1B).

  • CAS Number: 243966-09-8
  • MF: C10H11ClN2O5S
  • MW: 306.723
  • Catalog: Phosphatase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

SA 57

SA57 is a potent, selective FAAH inhibitor with IC50s of 3.2 nM and 1.9 nM for mouse and human FAAH. SA57 also inhibits the 2-arachidonoylglycerol hydrolases MAGL (IC50s of 410 nM and 1.4 μM for mouse and human MAGL) and mouse α/β-hydrolase domain-containing protein 6 (mABHD6; IC50 of 850 nM), but not other brain serine hydrolases[1][2].

  • CAS Number: 1346169-63-8
  • MF: C17H23ClN2O3
  • MW: 338.829
  • Catalog: FAAH
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 512.1±30.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 263.5±24.6 °C

PD 113413

PD 113413 is formed by subsequent hydrolysis of the diketopiperazine quinapril analog. PD 113413 is a potent angiotensin-converting enzyme inhibitor. PD 113413 can be used for research of hypertension and congestive heart failure[1].

  • CAS Number: 103733-50-2
  • MF: C23H24N2O4
  • MW: 392.45
  • Catalog: Angiotensin-converting Enzyme (ACE)
  • Density: 1.33g/cm3
  • Boiling Point: 669.8ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 358.9ºC

Lodelaben

Lodelaben is a human neutrophil elastase inhibitor with an IC50 and Ki of 0.5 and 1.5 μM, respectively.

  • CAS Number: 111149-90-7
  • MF: C25H41ClO3
  • MW: 425.04400
  • Catalog: Elastase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Cornoside

Cornoside is a phenolic glycoside and has inhibitory effect on rat lens aldose reductase (AR) with an IC50 of 150 μM[1].

  • CAS Number: 40661-45-8
  • MF: C14H20O8
  • MW: 316.30400
  • Catalog: Aldose Reductase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Enazadrem

Enazadrem is a 5-lipoxygenase inhibitor with antiinflammatory activities.

  • CAS Number: 107361-33-1
  • MF: C18H25N3O
  • MW: 299.41100
  • Catalog: 5-Lipoxygenase
  • Density: 1.11g/cm3
  • Boiling Point: 492.3ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 251.5ºC

Ranirestat

Ranirestat (AS-3201) is an aldose reductase inhibitor being developed for the treatment of diabetic neuropathy.

  • CAS Number: 147254-64-6
  • MF: C17H11BrFN3O4
  • MW: 420.18900
  • Catalog: Aldose Reductase
  • Density: 1.83g/cm3
  • Boiling Point: 702.7ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 378.8ºC

Lisinopril

Lisinopril is angiotensin-converting enzyme inhibitor, used in treatment of hypertension, congestive heart failure, and heart attacks.Target: ACELisinopril is a potent, competitive inhibitor of angiotensin-converting enzyme (ACE), the enzyme responsible for the conversion of angiotensin I (ATI) to angiotensin II (ATII). ATII regulates blood pressure and is a key component of the renin-angiotensin-aldosterone system (RAAS). Lisinopril may be used to treat hypertension and symptomatic congestive heart failure, to improve survival in certain individuals following myocardial infarction, and to prevent progression of renal disease in hypertensive patients with diabetes mellitus and microalbuminuria or overt nephropathy [1, 2].

  • CAS Number: 76547-98-3
  • MF: C21H31N3O5
  • MW: 405.488
  • Catalog: Angiotensin-converting Enzyme (ACE)
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 666.4±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 356.9±31.5 °C

PA 452

PA452, retinoic X receptor (RXR) specific antagonist, inhibits the effect of Retinoic acid (RA) on Th1/Th2 development[1].

  • CAS Number: 457657-34-0
  • MF: C26H37N3O3
  • MW: 439.59
  • Catalog: RAR/RXR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Nutlin-3

(Rac)-Nutlin-3 (Rebemadlin), an active enantiomer of Nutlin-3, is a potent murine double minute (MDM2) inhibitor (IC50=90 nM). (Rac)-Nutlin-3 inhibits MDM2-p53 interactions and stabilizes the p53 protein, and induces cell autophagy and apoptosis. (Rac)-Nutlin-3 has the potential for the study of TP53 wild-type ovarian carcinomas[1][2].

  • CAS Number: 890090-75-2
  • MF: C30H30Cl2N4O4
  • MW: 581.49
  • Catalog: Apoptosis
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

JPM-OEt

JPM-OEt is a broad spectrum cysteine cathepsin inhibitor. JPM-OEt binds covalently in the active site, and irreversibly inhibits the cysteine cathepsin family. Antitumor activity[1][2].

  • CAS Number: 262381-84-0
  • MF: C20H28N2O6
  • MW: 392.44600
  • Catalog: Cathepsin
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Elastatinal

Elastatinal is a potent and competitive inhibitor of elastase, with a Ki of 0.21 μM. Elastatinal more potently inhibits pancreatic elastase versus leucocyte elastase. Elastatinal shows no activity on human leucocyte chymotrypsin-like protease[1][2][3][4].

  • CAS Number: 51798-45-9
  • MF: C21H36N8O7
  • MW: 512.56
  • Catalog: Elastase
  • Density: 1.44 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Hu7691 free base

Hu7691 free base is an orally active, selective Akt inhibitor with IC50s of 4.0 nM, 97.5 nM, 28 nM for Akt1, Akt2 and Akt3, respectively. Hu7691 free base inhibits tumor growth and enables decrease of cutaneous toxicity in mice[1].

  • CAS Number: 2241232-43-7
  • MF: C22H21F3N4O
  • MW: 414.42
  • Catalog: ROCK
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Gomisin A

Schisandrol B is one of its major active constituents of traditional hepato-protective Chinese medicine, Schisandra sphenanthera.IC50 value:Target:in vitro: SolB pretreatment significantly attenuated the increases in alanine aminotransferase and aspartate aminotransferase activity, and prevented elevated hepatic malondialdehyde formation and the depletion of mitochondrial glutathione (GSH) in a dose-dependent manner. SolB also dramatically altered APAP metabolic activation by inhibiting the activities of CYP2E1 and CYP3A11, which was evidenced by significant inhibition of the formation of the oxidized APAP metabolite NAPQI-GSH [1]. SolB abrogated APAP-induced activation of p53 and p21, and increased expression of liver regeneration and antiapoptotic-related proteins such as cyclin D1 (CCND1), PCNA, and BCL-2.

  • CAS Number: 58546-54-6
  • MF: C23H28O7
  • MW: 416.464
  • Catalog: Autophagy
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 579.7±50.0 °C at 760 mmHg
  • Melting Point: 88.5°C
  • Flash Point: 304.4±30.1 °C

Gemigliptin tartrate

Gemigliptin tartrate (LC15-0444 tartrate) is a highly selective, reversible and competitive dipeptidyl peptidase-4 (DPP-4) inhibitor, with an IC50 of 10.3 nM for human recombinant DPP-4. Gemigliptin tartrate exhibits potent anti-glycation properties. Gemigliptin tartrate can be used for the research of advanced glycation end products (AGE)-related diabetic complications[1][2].

  • CAS Number: 1374639-74-3
  • MF: C22H25F8N5O8
  • MW: 639.45
  • Catalog: Dipeptidyl Peptidase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Conglobatin

Conglobatin (FW-04-806), a macrolide dilactone, is isolated from the culture of Streptomyces conglobatus. Conglobatin is an orally active Hsp90 inhibitor. Conglobatin can bind to the N-terminal domain of Hsp90 and disrupt Hsp90-Cdc37 complex formation. Conglobatin induces apoptosis in human breast cancer cells and esophageal squamous cell carcinoma cells, and exhibits antitumor activity in vivo[1][2][3].

  • CAS Number: 72263-05-9
  • MF: C28H38N2O6
  • MW: 498.61100
  • Catalog: Apoptosis
  • Density: 1.06 g/cm3
  • Boiling Point: 673.4ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 361.1ºC

DHODH-IN-12

DHODH-IN-12 (Compound 12b) is a Leflunomide derivative and a weak dihydroorotate dehydrogenase (DHODH) inhibitor with a pKa of 5.07[1].

  • CAS Number: 1263303-93-0
  • MF: C10H9N3O2
  • MW: 203.20
  • Catalog: DNA/RNA Synthesis
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

H-Gly-Gly-Tyr-Arg-OH

Papain inhibitor (Glycylglycyl-L-tyrosyl-L-arginine) acts as an effective competitive inhibitor to papain, with a Ki of 9 μM at pH 6.2[1].

  • CAS Number: 70195-20-9
  • MF: C19H29N7O6
  • MW: 451.48
  • Catalog: Cathepsin
  • Density: 1.49g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Methyl 2,4-dihydroxy-6-methylbenzoate

Methyl orsellinate is a phytotoxic compound with antifungal activities. Methyl orsellinate is a 5-lipoxygenase inhibitor with an IC50 value of 59.6 μM. Methyl orsellinate can be used for fungal infection research[1][2].

  • CAS Number: 3187-58-4
  • MF: C9H10O4
  • MW: 182.173
  • Catalog: Fungal
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 339.1±22.0 °C at 760 mmHg
  • Melting Point: 141-142℃
  • Flash Point: 138.1±15.8 °C