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.


Anti-infection >
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Apoptosis >
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Metabolic Enzyme/Protease >
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
Neuronal Signaling >
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NF-κB >
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Protein Tyrosine Kinase/RTK >
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m-3M3FBS

m-3M3FBS is a potent phospholipase C (PLC) activator. m-3M3FBS stimulates superoxide generation in human neutrophils, upregulates intracellular calcium concentration, and stimulates inositol phosphate generation in various cell lines. m-3M3FBS induces monocytic leukemia cell apoptosis[1][2][3].

  • CAS Number: 200933-14-8
  • MF: C16H16F3NO2S
  • MW: 343.36400
  • Catalog: Apoptosis
  • Density: 1.316g/cm3
  • Boiling Point: 420ºC at 760mmHg
  • Melting Point: 114-114.8ºC(lit.)
  • Flash Point: 207.8ºC

20(R)-Ginsenoside Rh2

20(R)-Ginsenoside Rh2, a matrix metalloproteinase (MMP) inhibitor, acts as a cell antiproliferator. It has anticancer effects via blocking cell proliferation and causing G1 phase arrest. 20(R)-Ginsenoside Rh2 induces apoptosis, and has anti-inflammatory and antioxidative activity[1][2][3].

  • CAS Number: 112246-15-8
  • MF: C36H62O8
  • MW: 622.873
  • Catalog: Apoptosis
  • Density: 1.19
  • Boiling Point: 726.4±60.0 °C at 760 mmHg
  • Melting Point: 225 °C
  • Flash Point: 393.1±32.9 °C

RXP470.1

RXP470.1 (RXP-470) is a potent, selective MMP-12 inhibitor with a Ki of 0.2 nM against human MMP-12. RXP470.1 is 2 to 4 orders of magnitude less potent against other MMPs. RXP470.1 significantly reduces atherosclerotic plaque cross-sectional area in mouse. RXP470.1 results in less complex plaques with increased smooth muscle cell:macrophage ratio, less macrophage apoptosis, increased cap thickness, smaller necrotic cores, and decreased incidence of calcification[1].

  • CAS Number: 891198-31-5
  • MF: C35H35BrClN4O10P
  • MW: 818.00
  • Catalog: MMP
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Fluindione

Fluindione is a inhibitor of 5-lipoxygenase with the IC50 of 15 μM. Fluindione has antiinflammatory activity[1].

  • CAS Number: 957-56-2
  • MF: C15H9FO2
  • MW: 240.23
  • Catalog: 5-Lipoxygenase
  • Density: 1.335g/cm3
  • Boiling Point: 406.3ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 154.5ºC

Benzthiazide

Benzthiazide is a long-acting diuretic[1] and a hypertension agent. Benzthiazide is an inhibitor of carbonic anhydrase 9 (CA9), with Kis of 8.0, 8.8 and 10 nM for CA9, CA2 and CA1, respectively. Benzthiazide also suppresses proliferation of cancer cells[2].

  • CAS Number: 91-33-8
  • MF: C15H14ClN3O4S3
  • MW: 431.93700
  • Catalog: Carbonic Anhydrase
  • Density: 1.4176 (rough estimate)
  • Boiling Point: 680.6 °C at 760 mmHg
  • Melting Point: 231-232° (U.S. patent); mp 238-239° (P'an)
  • Flash Point: 365.4 °C

Phospholipase D

Phospholipase D (PLD) is an enzyme of the phospholipase superfamily, which widely exists in bacteria, yeast, plants, animals and viruses, and is often used in biochemical research. Phospholipase D can catalyze the hydrolysis of phosphodiester bonds in glycerophospholipids to produce phosphatidic acid and soluble choline. Phospholipase D is involved in a variety of disease-related processes, including diabetes, atherogenesis, obesity, tumorigenesis, immune response, and neuroendocrine function[1].

  • CAS Number: 9001-87-0
  • MF: C9H14N4O3
  • MW: 226.232
  • Catalog: Phospholipase
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 656.2±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 350.7±31.5 °C

PHD2-IN-1

PHD2-IN-1 is a potent and orally active inhibitor of HIF prolyl hydroxylase 2 (PHD2) with an IC50 of 22.53 nM. PHD2-IN-1 can be used for anemia research[1].

  • CAS Number: 2768219-28-7
  • MF: C21H23ClN4O5
  • MW: 446.88
  • Catalog: HIF/HIF Prolyl-Hydroxylase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

A-69412

A-69412 is a reversible, specific inhibitor of the hydrophilic 5-lipoxygenase (5-LO).

  • CAS Number: 123606-23-5
  • MF: C7H10N2O3
  • MW: 170.16600
  • Catalog: 5-Lipoxygenase
  • Density: 1.33g/cm3
  • Boiling Point: 325.2ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 150.5ºC

FTI 276 TFA

FTI-276 is a protein farnesyl transferase (PFT) inhibitor with IC50s of 0.9 nM and 0.5 nM for Plasmodium falciparum and human, respectively[1].

  • CAS Number: 1217471-51-6
  • MF: C23H28F3N3O5S2
  • MW: 547.61
  • Catalog: Farnesyl Transferase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

SEP-0372814

PDE10-IN-2 is a PDE10 inhibitor with an IC50≦0.01 μM[1].

  • CAS Number: 1516895-53-6
  • MF: C21H19N7
  • MW: 369.42246
  • Catalog: Phosphodiesterase (PDE)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Epoxomicin

Epoxomicin is a cell-permeable and irreversible proteasome inhibitor, primarily the chymotrypsin-like activity.

  • CAS Number: 134381-21-8
  • MF: C28H50N4O7
  • MW: 554.719
  • Catalog: Proteasome
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 795.7±60.0 °C at 760 mmHg
  • Melting Point: 107-109ºC
  • Flash Point: 435.0±32.9 °C

Fenclonine

4-Chloro-L-phenylalanine (L-PCPA) is a 5-HT biosynthesis inhibitor. 4-Chloro-L-phenylalanine is also a nonspecific antagonist of both isoforms of tryptophan hydroxylase (TPH1 and TPH2)[1].

  • CAS Number: 14173-39-8
  • MF: C9H10ClNO2
  • MW: 199.634
  • Catalog: 5-HT Receptor
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 339.5±32.0 °C at 760 mmHg
  • Melting Point: 235-238ºC
  • Flash Point: 159.1±25.1 °C

PF 04991532

PF-04991532 is a potent, hepatoselective glucokinase activator with EC50s of 80 and 100 nM in human and rat, respectively.

  • CAS Number: 1215197-37-7
  • MF: C18H19F3N4O3
  • MW: 396.364
  • Catalog: Glucokinase
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 646.5±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 344.8±31.5 °C

LY43578

LY43578 is an orally active aromatase inhibitor. LY43578 inhibits P-450-dependent p-nitroanisole O-demethylation and ethylmorphine N-demethylation in hepatic microsomes isolated from rat, with the IC50 of 0.3 and 5 μΜ, respectively. LY43578 can be used for neurological disorder study[1][2].

  • CAS Number: 26766-35-8
  • MF: C17H12Cl2N2O
  • MW: 331.20
  • Catalog: Cytochrome P450
  • Density: 1.376g/cm3
  • Boiling Point: 494.9ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 253.1ºC

(rel)-Atorvastatin

(rel)-Atorvastatin, a relative configuration of Atorvastatin. Atorvastatin is an orally active HMG-CoA reductase inhibitor, has the ability to effectively decrease blood lipids. Atorvastatin inhibits human SV-SMC proliferation and invasion with IC50s of 0.39 μM and 2.39 μM, respectively[1][2][3].

  • CAS Number: 110862-48-1
  • MF: C33H35FN2O5
  • MW: 558.640
  • Catalog: Autophagy
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 722.2±60.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 390.6±32.9 °C

Endothall

Endothall (Endothal) is a protein phosphatase 2A (PP2A) inhibitor with IC50s of 90 nM and 5 µM for PP2A and PP1, respectively. Endothall can be used as an herbicide. Endothall also is useful in cancer chemotherapy[1].

  • CAS Number: 145-73-3
  • MF: C8H10O5
  • MW: 186.16200
  • Catalog: Phosphatase
  • Density: 1.431
  • Boiling Point: 350ºC(e)
  • Melting Point: 144ºC
  • Flash Point: 190.5ºC

Hedragonic acid

Hedragonic acid is an oleane-type triterpenoid compound, which can be isolated from the stems and roots of the southern snake vine. Hedragonic acid is a ligand and agonist for FXR. Hedragonic acid protected mice from liver damage caused by acetaminophen overdose and reduced liver inflammation[1].

  • CAS Number: 466-02-4
  • MF: C29H44O3
  • MW: 440.66
  • Catalog: FXR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Ocedurenone

Ocedurenone is a corticosteroid receptor antagonist. Ocedurenone can be used for the research of kidney disease (WO2018054357, compound I)[1].

  • CAS Number: 1359969-24-6
  • MF: C28H30ClN5O2
  • MW: 504.02
  • Catalog: Mineralocorticoid Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

PF-04620110

PF-04620110 is an orally active, selective and potent diglyceride acyltransferase-1 (DGAT1) inhibitor with IC50 of 19 nM.IC50 value: 19 nM [1]Target: DGAT1PF-04620110 and imipramine (internal standard) were separated using a Hypersil Gold C18 column, with a mixture of acetonitrile and 10 mm ammonium formate (90:10, v/v) as the mobile phase. The ion transitions monitored in positive-ion mode [M + H](+) of multiple-reaction monitoring were m/z 397.0 -260.2 for PF-04620110 and m/z 280.8 - 86.0 for imipramine. The detector response was specific and linear for PF-04620110 at concentrations within the range 0.05-50 μg/mL and the signal-to-noise ratios for the samples were ≥10 [2].

  • CAS Number: 1109276-89-2
  • MF: C21H24N4O4
  • MW: 396.440
  • Catalog: Acyltransferase
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 701.9±60.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 378.3±32.9 °C

Tauro-β-muricholic acid

Tauro-β-muricholic acid (TβMCA) is a trihydroxylated bile acid. Tauro-β-muricholic acid is a competitive and reversible FXR antagonist (IC50 = 40 μM). Tauro-β-muricholic acid has antiapoptotic effect. Tauro-β-muricholic acid inhibits bile acid-induced hepatocellular apoptosis by maintaining the mitochondrial membrane potential[1][2].

  • CAS Number: 25696-60-0
  • MF: C26H45NO7S
  • MW: 515.70300
  • Catalog: Apoptosis
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

HIF-2α-IN-7

HIF-2α-IN-7 is a hypoxia inducible factor 2α (HIF-2α) inhibitor. HIF-2α-IN-7 can inhibit HIF-2α with an EC50 value of 6nM. HIF-2α-IN-7 can be used for the research of various types of diseases including cancer, liver disease, inflammatory disease, pulmonary diseases and iron load disorders[1].

  • CAS Number: 2511247-29-1
  • MF: C18H9F6NO2
  • MW: 385.26
  • Catalog: HIF/HIF Prolyl-Hydroxylase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Mirodenafil

Mirodenafil(SK3530) is a phosphodiesterase type 5 (PDE-5) inhibitor developed for the treatment of erectile dysfunction.Target: PDE5Mirodenafil is a newly developed oral phosphodiesterase type 5 inhibitor. Mirodenafil, in doses of 50 or 100 mg, significantly improved erectile function and were well tolerated in a representative population of Korean men with broad-spectrum ED of various etiologies and severities [1]. The concurrent administration of mirodenafil with alcohol was not associated with clinically significant hemodynamic changes in these healthy male volunteers in Korea. The pharmacoki-netics of mirodenafil were not significantly altered by this concurrent administration. Mirodenafil administered with alcohol had a tolerability profile comparable to that of mirodenafil alone [2]. In these healthy Korean male volunteers, the coadministration of ketoconazole and rifampicin resulted in significant changes in systemic exposure to mirodenafil [3].

  • CAS Number: 862189-95-5
  • MF: C26H37N5O5S
  • MW: 531.667
  • Catalog: Phosphodiesterase (PDE)
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 730.4±70.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 395.6±35.7 °C

omapatrilat

Omapatrilat is a dual inhibitor of the metalloproteases ACE and NEP with Ki values of 0.64 and 0.45 nM, respectively.

  • CAS Number: 167305-00-2
  • MF: C19H24N2O4S2
  • MW: 408.535
  • Catalog: Angiotensin-converting Enzyme (ACE)
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 724.2±60.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 391.8±32.9 °C

TD52

TD52, an Erlotinib (HY-50896) derivative, is an orally active, potent cancerous inhibitor of protein phosphatase 2A (CIP2A) inhibitor. TD52 mediates the apoptotic effect in triple-negative breast cancer (TNBC) cells via regulating the CIP2A/PP2A/p-Akt signalling pathway. TD52 indirectly reduced CIP2A by disturbing Elk1 binding to the CIP2A promoter. TD52 has less p-EGFR inhibition and has potent anti-cancer activity[1].

  • CAS Number: 1798328-24-1
  • MF: C24H16N4
  • MW: 360.41
  • Catalog: Apoptosis
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

17-GMB-APA-GA

17-GMB-APA-GA is an ADC Cytotoxin. 17-GMB-APA-GA is a potent HSP90 inhibitor and used for latent T. gondii infection research[1].

  • CAS Number: 256337-10-7
  • MF: C39H53N5O11
  • MW: 767.87
  • Catalog: ADC Cytotoxin
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

GW311616

GW311616 is a potent, intracellular, orally bioavailable, long duration inhibitor of human neutrophil elastase(HNE) with IC50 of 22 nM; free base form of GW311616A.IC50 value: 22 nM [1]Target: neutrophil elastaseThe HNE inhibitor GW311616A is selective over other human serine proteases (IC50 values >100 uM for trypsin, cathepsin G, and plasmin, >3 mM for chymotrypsin and tissue plasminogen activator). Acetylcholinesterase is not inhibited by GW311616A at 100 uM.GW311616A is more potent than thetrifluoromethylketone inhibitor ZD8321 (Ki=13 nM). GW311616A is orallybioavailable in rat, dog (Table 4) and hamster despite moderate to high plasmaclearance, which indicates that clearance is predominantly extrahepatic.

  • CAS Number: 198062-54-3
  • MF: C19H31N3O4S
  • MW: 397.53
  • Catalog: Elastase
  • Density: N/A
  • Boiling Point: 604.3ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 319.3ºC

RGX-104

RGX-104 is a small-molecule LXR agonist that modulates innate immunity via transcriptional activation of the ApoE gene.

  • CAS Number: 610318-03-1
  • MF: C34H34Cl2F3NO3
  • MW: 632.54
  • Catalog: LXR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Candoxatril

Candoxatril is a neutral endopeptidase (NEP) inhibitor.

  • CAS Number: 123122-55-4
  • MF: C29H41NO7
  • MW: 515.63800
  • Catalog: Neprilysin
  • Density: 1.21g/cm3
  • Boiling Point: 718.4ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 388.3ºC

Vildagliptin-d3

Vildagliptin-d3 (LAF237-d3) is the deuterium labeled Vildagliptin. Vildagliptin (LAF237) is a potent, stable, selective dipeptidyl peptidase IV (DPP-IV) inhibitor with an IC50 of 3.5 nM in human Caco-2 cells. Vildagliptin possesses excellent oral bioavailability and potent antihyperglycemic activity[1][2].

  • CAS Number: 1217546-82-1
  • MF: C17H22D3N3O2
  • MW: 306.41800
  • Catalog: Apoptosis
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

SPCK

MeOSuc-AAPV-CMK (Elastase Inhibitor III) is an elastase inhibitor. MeOSuc-AAPV-CMK also inhibits cathepsin G and proteinase 3.MeOSuc-AAPV-CMK blocks the cleavage of adiponectin by leukocyte elastase[1].

  • CAS Number: 65144-34-5
  • MF: C22H35ClN4O7
  • MW: 502.98900
  • Catalog: Cathepsin
  • Density: 1.234g/cm3
  • Boiling Point: 809.4ºC at 760 mmHg
  • Melting Point: 159-161ºC
  • Flash Point: 443.3ºC