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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Renin inhibitor peptide,rat

Renin inhibitor peptide,rat is a biological active peptide. (A specific rat renin inhibitor.)

  • CAS Number: 115290-00-1
  • MF: C50H72N10O9
  • MW: 957.17
  • Catalog: Renin
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

IDO-IN-12

IDO-IN-12 is an indoleamine 2,3-dioxygenase (IDO) inhibitor extracted from patent WO 2017181849 A1.

  • CAS Number: 1888341-29-4
  • MF: C13H11BrFN5O3S
  • MW: 416.23
  • Catalog: Indoleamine 2,3-Dioxygenase (IDO)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Gka-22

GKA-22 is a human glucokinase allosteric activator in the absence of glucose.

  • CAS Number: 480463-02-3
  • MF: C22H22N2O5S
  • MW: 426.48
  • Catalog: Glucokinase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Deltasonamide 1 TFA

Deltasonamide 1 TFA is a PDE6δ-KRas inhibitor. Deltasonamide 1 can inhibit PDE6δ-KRas with a KD of 203 pM. Deltasonamide 1 can be used for the research of tumors[1].

  • CAS Number: 2235358-73-1
  • MF: C32H40ClF3N6O6S2
  • MW: 761.27
  • Catalog: Phosphodiesterase (PDE)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

hDHODH-IN-2

hDHODH-IN-2 is an analogue of the active metabolite of Leflunomide. hDHODH-IN-2 is a human dihydroorotate dehydrogenase (hDHODH) inhibitor. hDHODH-IN-1 has anti-inflammatory activity[1][2].

  • CAS Number: 183946-00-1
  • MF: C19H16N2O2
  • MW: 304.34
  • Catalog: DNA/RNA Synthesis
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

ACC1/2-IN-1

ACC1/2-IN-1 (compound 4s) is a potent ACC1/2 inhibitor with IC50 values of 98.06 and 29.43 nM for ACC1 and ACC2, respectively. ACC1/2-IN-1 can be used for cancer research[1].

  • CAS Number: 2350219-22-4
  • MF: C34H32N4O4
  • MW: 560.64
  • Catalog: Acetyl-CoA Carboxylase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Pimobendan

Pimobendan is a selective inhibitor of PDE3 with IC50 of 0.32 μM.Target: PDE3Pimobendan exhibits selective inhibition of PDE III isolated from guinea pig cardiac muscle with IC50 of 0.32 uM compared to the inhibition of PDE I and PDE II (IC50s >30 μM). In human atrial cells, 100 μM pimobendan significantly increases the L-type calcium current (ICa(L)) (evoked by depolarization to +10 mV from a holding potential of -40 mV) by 250.4% with the half-maximal stimulation (EC50) of 1.13 μM. In rabbit atrial cells, Pimobendan increases ICa(L) at +10 mV by 67.4.%, which is significantly lower than that obtained in human atrial cells Pimobendan shows a beneficial effect on survival in the murine model of EMC virus-induced myocarditis. Administration of Pimobendan significantly increases the final survival rate from 33.6% (control) to 53.3% (0.1 mg/kg) or 66.7% (1 mg/kg). Pimobendan (1 mg/kg) also significantly reduces myocardial cellular infiltration, the level of intracardiac tumor necrosis factor (TNF)-α and interleukin (IL)-1β compared with the control group, which shows no effect on myocardial necrosis, heart weight and body weight. Pimobendan suppresses expression of the intracardiac iNOS gene , causing reduction of intracardiac NO production.

  • CAS Number: 74150-27-9
  • MF: C19H18N4O2
  • MW: 334.372
  • Catalog: Phosphodiesterase (PDE)
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: 249 °C(dec.)
  • Flash Point: N/A

AMG-579

AMG 579 is a potent, selective, and efficacious inhibitor of phosphodiesterase 10A (PDE10A) with an IC50 of 0.1 nM.

  • CAS Number: 1227067-61-9
  • MF: C25H23N5O3
  • MW: 441.48
  • Catalog: Phosphodiesterase (PDE)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Doxepin D3 Hydrochloride

Doxepin D3 Hydrochloride is a deuterium labeled Doxepin Hydrochloride. Doxepin hydrochloride is an orally active tricyclic antidepressant used as a sedative. Doxepin hydrochloride is a potent and selective histamine receptor H1 antagonist. Doxepin hydrochloride is also a potent CYP450 inhibitor and significantly inhibits CYP450 2C19 and 1A2[1][2].

  • CAS Number: 347840-07-7
  • MF: C19H19D3ClNO
  • MW: 318.856
  • Catalog: Histamine Receptor
  • Density: N/A
  • Boiling Point: 64.0-65.0 °C at 760 mmHg
  • Melting Point: 162-164ºC
  • Flash Point: 9℃

2,4,3',5'-tetramethoxystilbene

TMS is a selective inhibitor of CYP1B1 activity.

  • CAS Number: 24144-92-1
  • MF: C18H20O4
  • MW: 300.349
  • Catalog: Cytochrome P450
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 459.9±40.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 152.3±34.2 °C

MK2-IN-5

MK2-IN-5 is a Mk2 pseudosubstrate (Ki= 8 μM). MK2-IN-5 targets the protein interaction domain in the MAPK pathway. MK2-IN-5 inhibits HSP25 and HSP27 phosphorylation[1][2][3].

  • CAS Number: 474713-20-7
  • MF: C61H113N21O16
  • MW: 1396.68
  • Catalog: HSP
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Icariside D2

Icariside D2, isolated from Annona glabra fruit, inhibits angiotensin-converting enzyme. Icariside D2 shows significant cytotoxic activity on the HL-60 cell line with the IC50 value of 9.0 ± 1.0 μM. Icariside D2 induces apoptosis [1][2].

  • CAS Number: 38954-02-8
  • MF: C14H20O7
  • MW: 300.30400
  • Catalog: HIV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Lodenafil carbonate

Lodenafil carbonate, a dimer that acts as a prodrug delivering Lodenafil in vivo, is an orally active phosphodiesterase type 5 (PDE5) inhibitor for the treatment of erectile dysfunction (ED)[1][2].

  • CAS Number: 398507-55-6
  • MF: C47H62N12O11S2
  • MW: 1035.20000
  • Catalog: Phosphodiesterase (PDE)
  • Density: N/A
  • Boiling Point: 1109.0±75.0 °C(Predicted)
  • Melting Point: 229-231 °C
  • Flash Point: N/A

Z-Leu-Leu-Glu-βNA

Z-Leu-Leu-Glu-βNA (Z-Leu-Leu-Glu-β-naphthylamide) is a substrate for determination of the glutamylpeptidyl-peptide hydrolase activity of the 20S proteasome[1].

  • CAS Number: 75873-85-7
  • MF: C35H44N4O7
  • MW: 632.74600
  • Catalog: Proteasome
  • Density: 1.227g/cm3
  • Boiling Point: 896.1ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 495.8ºC

IDO1-IN-16

IDO1-IN-16 (I-1) is an IDO1 inhibitor targeting holo-IDO1, with an IC50 of 127 nM[1].

  • CAS Number: 2677054-63-4
  • MF: C25H35BrFN5O2
  • MW: 536.48
  • Catalog: Indoleamine 2,3-Dioxygenase (IDO)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

DMU2105

DMU2105 is a potent and specific CYP1B1 inhibitor, with IC50s of 10 nM and 742 nM for CYP1B1 and CYP1A1, respectively.

  • CAS Number: 1821143-79-6
  • MF: C18H13NO
  • MW: 259.3
  • Catalog: Cytochrome P450
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

A922500

A 922500 is a potent, selective, and orally bioavailable DGAT-1 inhibitor exhibiting IC50s of 9 and 22 nM against human and mouse DGAT-1, respectively.

  • CAS Number: 959122-11-3
  • MF: C26H24N2O4
  • MW: 428.480
  • Catalog: Acyltransferase
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 576.1±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 302.2±30.1 °C

ABT-046

ABT-046 is a potent, selective, and orally bioavailable Diacylglycerol acyltransferase 1 (DGAT-1 ) inhibitor (IC50= 8 nM).IC50 value: 8 nM [1]Target: DGAT-1Oral administration at doses ≥0.03 mg/kg significantly reduced postprandial triglycerides in mice following an oral lipid challenge. Further assessment in both acute and chronic safety pharmacology and toxicology studies demonstrated a clean profile up to high plasma levels, thus culminating in the nomination of 14 as clinical candidate ABT-046.

  • CAS Number: 1031336-60-3
  • MF: C20H22N4O2
  • MW: 350.41400
  • Catalog: Acyltransferase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Apatorsen sodium

Apatorsen (sodium) is an antisense oligonucleotide designed to bind to Hsp27 mRNA, resulting in the inhibition of the production of Hsp27 protein.

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

FA-Phe-Phe-OH

FA-Phe-Phe is a furylacryloyl (fa)-amino acid derivative, targeting to Angiotensin-converting Enzyme (ACE). FA-Phe-Phe is also a specific substrate of Cathepsin A[1][2].

  • CAS Number: 83661-95-4
  • MF: C25H24N2O5
  • MW: 432.47
  • Catalog: Angiotensin-converting Enzyme (ACE)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

DPP-4 inhibitor 1

DPP-4 inhibitor 1 (compound 5) is a potent and long acting Dipeptidyl peptidase-4 (DPP-4) inhibitor for t treatment of T2DM, with a KD of 0.177 nM[1].

  • CAS Number: 1915007-89-4
  • MF: C21H15F3N2O2
  • MW: 384.35
  • Catalog: Dipeptidyl Peptidase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Enpp-1-IN-5

Enpp-1-IN-5 is a potent inhibitor of ectonucleotide pyrophosphatase-phosphodiesterase 1 (enpp-1). The ENPP 1 has broad specificity and can cleave a variety of substrates, including phosphodiester bonds of nucleotides and nucleotide sugars and pyrophosphate bonds nucleotides and nucleotide sugars. Enpp-1-IN-5 has the potential for the research of cancer and infectious diseases (extracted from patent WO2019046778A1/WO2021203772A1, compound 1)[1][2].

  • CAS Number: 2230916-95-5
  • MF: C17H26N6O4S
  • MW: 410.49
  • Catalog: Phosphodiesterase (PDE)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Topiroxostat

Topiroxostat(FYX-051) is a novel and potent xanthine oxidoreductase (XOR) inhibitor with IC50 value of 5.3 nM.IC50 value: 5.3 nM [1]Target: xanthine oxidoreductasein vitro: Steady-state kinetics study showed that FYX-051 initially behaved as a competitive-type inhibitor with a K(i) value of 5.7 × 10(-9) M, then after a few minutes it formed a tight complex with XOR via a Mo-oxygen-carbon atom covalent linkage, as reported previously [3].in vivo: FYX-051 exhibited a weak CYP3A4-inhibitory activity (18.6%); its Cmax and bioavailability were as high as 4.62 μg/mL (3 mg/kg) and 69.6%, respectively. Moreover, the t1/2 value of 39 was greater (19.7 h) than that of compound 2 (0.97 h) [1]. In the mechanistic study by 52-week oral treatment with topiroxostat at 3 mg/kg to F344 male rats, with and without citrate, simple and papillary transitional cell hyperplasias of the urinary bladder epithelium were observed in 5/17 in the topiroxostat-alone treatment group, along with xanthine-induced nephropathy, in contrast to neither xanthine crystals nor lesions in urinary organs by co-treatment group with citrate [2].

  • CAS Number: 577778-58-6
  • MF: C13H8N6
  • MW: 248.243
  • Catalog: Xanthine Oxidase
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 594.7±60.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 175.3±18.1 °C

SR-18292

SR-18292 is a PPAR gamma coactivator-1α (PGC-1α) inhibitor, which increases PGC-1α acetylation, suppresses gluconeogenic gene expression and reduces glucose production in hepatocytes.

  • CAS Number: 2095432-55-4
  • MF: C23H30N2O2
  • MW: 366.5
  • Catalog: PGC-1α
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

rolipram

Rolipram is a selective phosphodiesterases PDE4 inhibitor with IC50s of 3 nM, 130 nM and 240 nM for PDE4A, PDE4B, and PDE4D, respectively.

  • CAS Number: 61413-54-5
  • MF: C16H21NO3
  • MW: 275.343
  • Catalog: Phosphodiesterase (PDE)
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 472.7±45.0 °C at 760 mmHg
  • Melting Point: 127-133ºC
  • Flash Point: 239.7±28.7 °C

Chrysoeriol-7-O-glucoside

Thermopsoside is a flavone derivative isolated from Aspalathus linearis. Thermopsoside exhibits inhibitory effects on CYP450 isozymes with IC50 values of 6.0 μM, 9.5 μM, 12.0 μM, 32.0 μM, for CYP3A4, CYP2C19, CYP2D6 and CYP2C9, respectively[1].

  • CAS Number: 19993-32-9
  • MF: C22H22O11
  • MW: 462.404
  • Catalog: Cytochrome P450
  • Density: 1.609
  • Boiling Point: 801.6±65.0 °C at 760 mmHg
  • Melting Point: 176-179 ºC
  • Flash Point: 281.0±27.8 °C

FXR antagonist 2

FXR antagonist 2 (compound A-26) is a diarylamide derivative, as well as a moderate FXR antagonist. FXR antagonist 2 can be used in the study of hyperlipidemia and type 2 diabetes[1].

  • CAS Number: 1660153-21-8
  • MF: C22H26Cl2N2O2
  • MW: 421.36
  • Catalog: FXR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

DPP-4 inhibitor 3

DPP-4 inhibitor 3 (Compound 5a) is a potent dipeptidyl peptidase IV (DPP-IV) inhibitor with an IC50 of 0.75 nM. DPP-4 inhibitor 3 shows excellent antioxidant and insulinotropic activity[1].

  • CAS Number: 2402735-14-0
  • MF: C19H22N6O2
  • MW: 366.42
  • Catalog: Dipeptidyl Peptidase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Inclisiran

Inclisiran (ALN-PCSsc) is a double-stranded small interfering RNA (siRNA) molecule that inhibits the transcription of PCSK-9. Inclisiran can be used for hyperlipidemia and cardiovascular disease (CVD) research[1].

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

Fosinopril-d5 sodium

Fosinopril-d5 sodium (SQ28555-d5 sodium) is the deuterium labeled Fosinopril sodium. Fosinopril Sodium is the ester prodrug of an angiotensin-converting enzyme (ACE) inhibitor, used for the treatment of hypertension and some types of chronic heart failure[1][2].

  • CAS Number: 1217513-43-3
  • MF: C30H41D5NNaO7P
  • MW: 590.68
  • Catalog: Angiotensin-converting Enzyme (ACE)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A