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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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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Calpain Inhibitor VI

Calpain Inhibitor VI (SJA6017) is a synthesized peptide aldehyde inhibitor of calpain. Calpain Inhibitor VI inhibits purified m-calpain with the IC50 of 80 nM. Calpain Inhibitor VI can be used for the research of cataract[1].

  • CAS Number: 190274-53-4
  • MF: C17H25FN2O4S
  • MW: 372.455
  • Catalog: Proteasome
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Thrombin

Thrombin is a trypsin-like allosteric serine protease that has a fundamental role in the clotting cascade.

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

Dabigatran etexilate mesylate

Dabigatran etexilate mesylate (BIBR 1048MS) is the orally active prodrug of dabigatran. Dabigatran is a reversible and selective, direct thrombin inhibitor (DTI) with Ki value of 4.5 nM.IC50 Value: 4.5 nM (Ki); 10 nM(Thrombin-induced platelet aggregation) [1]in vitro: Dabigatran selectively and reversibly inhibited human thrombin(Ki: 4.5 nM) as well as thrombin-induced platelet aggregation (IC(50): 10 nM), while showing no inhibitory effect on other platelet-stimulating agents.Thrombin generation in platelet-poor plasma (PPP), measured as the endogenous thrombin potential (ETP) was inhibited concentration-dependently (IC(50): 0.56 microM). Dabigatran demonstrated concentration-dependent anticoagulant effects in various species in vitro, doubling the activated partial thromboplastin time (aPTT), prothrombin time (PT) and ecarin clotting time (ECT) in human PPP at concentrations of 0.23, 0.83 and 0.18 microM, respectively [1]. in vivo: Dabigatran prolonged the aPTT dose-dependently after intravenous administration in rats (0.3, 1 and 3 mg/kg) and rhesus monkeys (0.15, 0.3 and 0.6 mg/kg). Dose- and time-dependent anticoagulant effects were observed with dabigatran etexilate administered orally to conscious rats (10, 20 and 50 mg/kg) or rhesus monkeys (1, 2.5 or 5 mg/kg), with maximum effects observed between 30 and 120 min after administration, respectively [1]. Patients treated with dabigatran etexilate experienced fewer ischaemic strokes (3.74 dabigatran etexilate vs 3.97 warfarin) and fewer combined intracranial haemorrhages and haemorrhagic strokes (0.43 dabigatran etexilate vs 0.99 warfarin) per 100 patient-years [2].Clinical trial: An Evaluation of the Pharmacokinetics and Pharmacodynamics of Oral Dabigatran Etexilate in Hemodialysis Patients . Phase1

  • CAS Number: 872728-81-9
  • MF: C35H45N7O8S
  • MW: 723.839
  • Catalog: Thrombin
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

SP-Chymostatin B

SP-Chymostatin B is a potent inhibitor of many proteases, including chymotrypsin, papain, chymotrypsin-like serine proteinases, chymases, and lysosomal cysteine proteinases. It weakly inhibits human leucocyte elastase. It is effective at a final concentration of 100 to 200 μg/ml (10 to 100 μM).

  • CAS Number: 70857-49-7
  • MF: C30H41N7O6
  • MW: 595.701
  • Catalog: Elastase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

hCAIX/XII-IN-4

hCAIX/XII-IN-4 (compound 6c) is a potent CAIX/XII inhibitor with the Ki values of 4.5 nM, 23.6 nM, >10000 nM and >10000 nM for CAXII, CAIX, CAI and CAⅡ, respectively[1].

  • CAS Number: 1119200-33-7
  • MF: C20H16N2O5
  • MW: 364.35
  • Catalog: Carbonic Anhydrase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

YM-53601 free base

YM-53601 free base is a squalene synthetase inhibitor which suppresses lipogenic biosynthesis and lipid secretion in rodents.

  • CAS Number: 182959-28-0
  • MF: C21H21FN2O
  • MW: 336.403
  • Catalog: Farnesyl Transferase
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 541.2±40.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 281.1±27.3 °C

CGP-53153

CGP-53153 is a steroidal inhibitor of 5 alpha reductase with IC50s of 36 and 262 nM in rat and human prostatic tissue, respectively.

  • CAS Number: 149281-19-6
  • MF: C23H33N3O2
  • MW: 383.52700
  • Catalog: 5 alpha Reductase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Elamipretide TFA

Elamipretide TFA (MTP-131 TFA; RX-31 TFA; SS-31 TFA) is a cardiolipin peroxidase inhibitor and mitochondria-targeting peptide[1].

  • CAS Number: 1606994-55-1
  • MF: C34H50F3N9O7
  • MW: 753.81
  • Catalog: Mitochondrial Metabolism
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Diprophylline

Dyphylline acts as an adenosine receptor antagonist and phosphodiesterase inhibitor, which is used in the treatment of respiratory disorders.Target: Adenosine Receptor; PDEDyphylline (trade names Dilor, Lufyllin), also known as diprophylline, is a xanthine derivative with bronchodilator and vasodilator effects. It is used in the treatment of respiratory disorders like asthma, cardiac dyspnea, and bronchitis. It acts as an adenosine receptor antagonist and phosphodiesterase inhibitor.

  • CAS Number: 479-18-5
  • MF: C10H14N4O4
  • MW: 254.243
  • Catalog: Adenosine Receptor
  • Density: 1.6±0.1 g/cm3
  • Boiling Point: 589.6±60.0 °C at 760 mmHg
  • Melting Point: 161-162 °C(lit.)
  • Flash Point: 310.4±32.9 °C

TVB-3664

TVB-3664 is an orally available, reversible, potent, selective and highly bioavailable fatty acid synthase (FASN) inhibitor, with IC50 values of 18 nM and 12 nM for human and mouse cell palmitate synthesis, respectively. TVB-3664 significantly reduces tubulin palmitoylation and mRNA expression[1][2].

  • CAS Number: 2097262-58-1
  • MF: C25H23F3N4O2
  • MW: 468.47
  • Catalog: Fatty Acid Synthase (FAS)
  • Density: 1.36±0.1 g/cm3(Predicted)
  • Boiling Point: 665.7±55.0 °C(Predicted)
  • Melting Point: N/A
  • Flash Point: N/A

Prunit

Uniconazole is a plant growth regulator that functions by inhibiting cytochrome P450 707As (Ki=68 nM), a family of enzymes that catabolize Abscisic acid, and thus, suppress gibberellin and sterol biosynthesis.

  • CAS Number: 83657-22-1
  • MF: C15H18ClN3O
  • MW: 291.776
  • Catalog: Cytochrome P450
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 474.6±55.0 °C at 760 mmHg
  • Melting Point: 153ºC
  • Flash Point: 240.8±31.5 °C

(4,4-2H2)Hexadecanoic acid

Palmitic acid-d2-4 is the deuterium labeled Palmitic acid. Palmitic acid is a long-chain saturated fatty acid commonly found in both animals and plants. PA can induce the expression of glucose-regulated protein 78 (GRP78) and CCAAT/enhancer binding protein homologous protein (CHOP) in in mouse granulosa cells[1][2].

  • CAS Number: 30719-28-9
  • MF: C16H30D2O2
  • MW: 258.44
  • Catalog: HSP
  • Density: 0.9±0.1 g/cm3
  • Boiling Point: 340.6±5.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 154.1±12.5 °C

(S)-Baxdrostat

(S)-Baxdrostat is the S-enantiomer of Baxdrostat. Baxdrostat is an aldosterone synthase inhibitor[1].

  • CAS Number: 1428652-16-7
  • MF: C22H25N3O2
  • MW: 363.45
  • Catalog: Mineralocorticoid Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

BC-11-38

BC11-38 is a potent, selective, and biologically active PDE11 inhibitor, with IC50s of 0.28 µM and >100 µM for PDE11 and PDE1-10, respectively. BC11-38 elevates cAMP levels, PKA-mediated ATF-1 phosphorylation, and cortisol production in H295R cells[1].

  • CAS Number: 686770-80-9
  • MF: C15H16N2OS2
  • MW: 304.43000
  • Catalog: Phosphodiesterase (PDE)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

MAO A/HSP90-IN-2

MAO A/HSP90-IN-2 (compound 4-C) is a dual inhibitor of HSP90and MAO A with the IC50 values of 0.016 and 4.58 μM, respectively. MAO A/HSP90-IN-2 increases HSP70 expression and reduces HER2 and phospho-Akt expression, and decreases IFN-γ induced PD-L1 expression in GL26 cells. MAO A/HSP90-IN-2 inhibits the growth of Temozolomide (HY-17364) -sensitive and -resistant GBM cells, colon cancer, leukemia, non-small cell lung and other cancers, and has potential to inhibit tumor immune escape[1].

  • CAS Number: 2927489-99-2
  • MF: C25H31ClN2O4
  • MW: 458.98
  • Catalog: HSP
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Autotaxin inhibitor compound 1

Autotaxin-IN-1 is a potent autotaxin inhibitor, which has favorable potency (IC50=2.2 nM), PK properties, and a robust PK/PD relationship. Autotaxin-IN-1 is used in treatment of osteoarthritis pain[1].

  • CAS Number: 1619971-30-0
  • MF: C21H23N7O2
  • MW: 405.45
  • Catalog: Phosphodiesterase (PDE)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Simvastatin Hydroxy Acid Sodium Salt

Simvastatin sodium is a lactone prodrug, can be hydrolysed to active hydroxy-acid by non-specific carboxyesterases or non-enzymatic processes. Simvastatin sodium shows a inhibition of HMG-CoA reductase with a Ki value of 0.12 nM[1][2].

  • CAS Number: 101314-97-0
  • MF: C25H39NaO6
  • MW: 458.563
  • Catalog: HMG-CoA Reductase (HMGCR)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Pectolinarigenin

Pectolinarigenin, isolated from Cirsium chanroenicum, is a dual inhibitor of COX-2/5-LOX. Anti-inflammatory activity[1]. Pectolinarigenin has potent inhibitory activities on melanogenesis[2].

  • CAS Number: 520-12-7
  • MF: C17H14O6
  • MW: 314.289
  • Catalog: COX
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 565.5±50.0 °C at 760 mmHg
  • Melting Point: 220-223°
  • Flash Point: 212.3±23.6 °C

H-D-Pro-Phe-Arg-chloromethylketone trifluoroacetate salt

D-Pro-Phe-Arg-Chloromethylketone, a inhibitor of coagulation factor XII and plasma kallikrein, plays an important role in thrombosis and inflammation[1].

  • CAS Number: 88546-74-1
  • MF: C21H31ClN6O3
  • MW: 450.96200
  • Catalog: Factor Xa
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

GSK2818713

GSK2818713 is a novel Hepatitis C NS5A replication complex inhibitor.

  • CAS Number: 1422484-32-9
  • MF: C46H56N8O8
  • MW: 848.99
  • Catalog: HCV Protease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

PF-06795071

PF-06795071 is a potent and selective covalent MAGL inhibitor with an IC50 of 3 nM[1].

  • CAS Number: 2075629-81-9
  • MF: C18H17F4N3O3
  • MW: 399.34
  • Catalog: MAGL
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Vildagliptin-d7

Vildagliptin-d7 is 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].

  • CAS Number: 1133208-42-0
  • MF: C17H18D7N3O2
  • MW: 310.44
  • Catalog: Apoptosis
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 531.3±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 275.1±30.1 °C

PHD-1-IN-1

PHD-1-IN-1 is an orally active and potent HIF prolylhydroxylase domain-1 (PHD-1) inhibitor with an IC50 of 0.034 μM. PHD-1-IN-1 has a unique monodentate binding interaction with the active site Fe2+ ion and induces the formation of an “Arg367-out” pocket[1].

  • CAS Number: 2009343-14-8
  • MF: C13H8N4
  • MW: 220.23
  • Catalog: HIF/HIF Prolyl-Hydroxylase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

PDE10-IN-1

PDE10-IN-1 is a potent PDE10-IN-1 inhibitor extracted from Patent WO 2013192273 A1, for treating CNS and metabolic disorders.

  • CAS Number: 1516896-09-5
  • MF: C21H19N7
  • MW: 369.422
  • Catalog: Phosphodiesterase (PDE)
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Stiripentol-d9

Stiripentol-d9 (BCX2600-d9) is the deuterium labeled Stiripentol. Stiripentol (STP) is an anticonvulsant agent, which can inhibit N-demethylation of CLB to NCLB mediatated by CYP3A4 (noncompetitively) and CYP2C19 (competitively) with Ki of 1.59±0.07 and 0.516±0.065 μM and IC50 of 1.58 and 3.29 μM, respectively[1][2].

  • CAS Number: 1185239-64-8
  • MF: C14H9D9O3
  • MW: 243.34600
  • Catalog: Cytochrome P450
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Narlaprevir

Narlaprevir is a potent, selective, orally bioavailable NS3 protease inhibitor(Ki=6 nM; EC90=40 nM)IC50 Value: 6 nM (Ki)Target: HCV NS3/4A Protease; HCVNarlaprevir (SCH 900518) is a potent inhibitor of the hepatitis C virus (HCV) nonstructural protein 3 serine protease that is primarily metabolized by the cytochrome P450-3A4 system. Narlaprevir administration resulted in a robust HCV-RNA decline and high SVR rates when followed by standard of care in both treatment-experienced and treatment-naive HCV genotype 1-infected patients.

  • CAS Number: 865466-24-6
  • MF: C36H61N5O7S
  • MW: 707.964
  • Catalog: HCV
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

IDO-IN-4

IDO-IN-4 is an indoleamine 2,3-dioxygenase 1 (IDO-1) inhibitor, extracted from patent WO2014150677A1, Compound example 1 enantiomer 1.

  • CAS Number: 1629125-65-0
  • MF: C26H35N3O3
  • MW: 437.574
  • Catalog: Indoleamine 2,3-Dioxygenase (IDO)
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 532.6±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 275.9±30.1 °C

Azo-Resveratrol

Azo-resveratrol, an Azo compound, inhibits Mushroom tyrosinase (IC50=36.28 μM).

  • CAS Number: 1393556-48-3
  • MF: C12H10N2O3
  • MW: 230.219
  • Catalog: Tyrosinase
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 488.5±28.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 324.6±13.3 °C

Ac-Phe-Gly-pNA

Ac-Phe-Gly-pNA is the chymotrypsin specific substrate[1].

  • CAS Number: 34336-99-7
  • MF: C19H20N4O5
  • MW: 384.38600
  • Catalog: Ser/Thr Protease
  • Density: 1.326g/cm3
  • Boiling Point: 724.7ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 392.1ºC

Tabimorelin hemifumarate

Tabimorelin (NN703) hemifumarate is an orally active growth hormone (GH) secretagogue. Tabimorelin hemifumarate is also a potent inhibitor of CYP3A4 activity[1].

  • CAS Number: 242143-80-2
  • MF: C32H40N4O3.1/2C4H4O4
  • MW: 586.72
  • Catalog: Cytochrome P450
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A