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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NUCC-0223619

NUCC-0223619 is an IDO1 inhibitor, induce degradation of IDO protein. NUCC-0223619 can be used to synthesis PROTAC[1].

  • CAS Number: 1923835-78-2
  • MF: C24H24ClFN2O2
  • MW: 426.91
  • Catalog: Indoleamine 2,3-Dioxygenase (IDO)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

FR 901537

FR 901537 is a potent and competitive aromatase inhibitor. FR 901537, a novel naphthol derivative, has the potential for breast cancer research[1].

  • CAS Number: 161162-21-6
  • MF: C23H29N3O6S2
  • MW: 507.62300
  • Catalog: Cytochrome P450
  • Density: 1.45g/cm3
  • Boiling Point: 897.3ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 496.5ºC

WES-1

WES-1 (Compound 8g) is an inhibitor of carbonic anhydrase IX (Ki: 55.9 μM). WES-1 has broad spectrum anti-proliferative activity against the cancer cells, such as leukemia (K-562 and MOLT-4), non-small cell lung cancer (NCI–H460), colon cancer (HCT 116 and HCT-15) and melanoma (LOX IMVI) cell lines[1].

  • CAS Number: 2748673-86-9
  • MF: C20H20N4O3S
  • MW: 396.46
  • Catalog: Carbonic Anhydrase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

MMP-7-IN-3

MMP-7-IN-3 is a potent and selective inhibitor of MMP-7. MMP-7-IN-3 suppresses kidney fibrosis progression in a mouse model with unilateral ureteral obstruction[1].

  • CAS Number: 2865097-58-9
  • MF: C34H43ClF3N7O9S
  • MW: 818.26
  • Catalog: MMP
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

FTI-2148 diTFA

FTI-2148 diTFA is a RAS C-terminal mimetic dual farnesyl transferase (FT-1) and geranylgeranyl transferase-1 (GGT-1) inhibitor with IC50s of 1.4 nM and 1.7 μM, respectively[1].

  • CAS Number: 817586-01-9
  • MF: C28H30F6N4O7S
  • MW: 680.62
  • Catalog: Farnesyl Transferase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Benzenesulfonamide

Benzenesulphonamide (compound 1) is a potent carbonic anhydrase inhibitor. Benzenesulphonamide shows CA II inhibitory activity[1].

  • CAS Number: 98-10-2
  • MF: C6H7NO2S
  • MW: 157.19
  • Catalog: Carbonic Anhydrase
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 299.1±23.0 °C at 760 mmHg
  • Melting Point: 149-152 °C(lit.)
  • Flash Point: 134.7±22.6 °C

SCD1/5-IN-1

SCD1/5-IN-1 (Compound 10) is a SCD1/5 inhibitor. SCD1/5-IN-1 can be used for research of neurological disease[1].

  • CAS Number: 1241494-17-6
  • MF: C12H10N4O3
  • MW: 258.23
  • Catalog: Stearoyl-CoA Desaturase (SCD)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

BRD2889

BRD2889 is an analog of the alkaloid piperlongumine. BRD2889 is a robust modulator of the GSTP1-ISCU axis in pulmonary hypertension (PH)[1].

  • CAS Number: 1415153-39-7
  • MF: C26H25NO6
  • MW: 447.48
  • Catalog: Gutathione S-transferase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Vildagliptin (LAF-237)

Vildagliptin (LAF-237; NVP-LAF 237) inhibits DPP-4 with IC50 of 2.3 nM.IC50 Value: 2.3 nM[1]Target: DPP-4in vitro: Vildagliptin is an N-substituted glycyl-2-cyanopyrrolidine (figure 2). It is a potent competitive and reversible inhibitor of human and rodent DPP-4 in vitro, with a median inhibitory concentration (IC50) ~2-3 nmol/L. Importantly, vildagliptin inhibits DPP-4 with high specificity relative to other similar peptidases where its IC50 exceeds 200 mol/L [1].in vivo: Compared to age-, gender-, BMI-matched subjects with normal renal function, the mean AUC of vildagliptin after 14 days in patients with mild, moderate, and severe RI increased by 40%, 71%, and 100%, respectively [2]. The treatment was effective in modulating stress in pancreatic tissue, both by reducing levels of stress markers as well as by increasing activity of SOD and catalase. After analyzing the pancreatic histology, we found that vildagliptin was also able to preserve islets and pancreatic β-cells, especially at the concentration of 5 mg/kg [3].Clinical trial: FDA approved drug.

  • CAS Number: 274901-16-5
  • MF: C17H25N3O2
  • MW: 303.39900
  • Catalog: Dipeptidyl Peptidase
  • Density: 1.27 g/cm3
  • Boiling Point: 531.3ºC at 760 mmHg
  • Melting Point: 153-155?C
  • Flash Point: 275.1ºC

WWL154

WWL154, an analog of JZL184 that maintains the SH-reactive p-nitrophenyl carbamate group, is a FAAH-4 inhibitor[1].

  • CAS Number: 1338574-93-8
  • MF: C18H19N3O5
  • MW: 357.36
  • Catalog: FAAH
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 553.6±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 288.6±30.1 °C

p-Hydroxyhippuryl-His-Leu-OH

p-Hydroxyhippuryl-His-Leu is a peptide substrate of angiotensin-converting enzyme (ACE)[1].

  • CAS Number: 77697-23-5
  • MF: C21H27N5O6
  • MW: 445.46900
  • Catalog: Angiotensin-converting Enzyme (ACE)
  • Density: 1.337g/cm3
  • Boiling Point: 945.1ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 525.4ºC

halopemide

Halopemide is a potent phospholipase D (PLD) inhibitor, with IC50s of 220 and 310 nM for human PLD1 and PLD2, respectively. Halopemid is a dopamine receptors antagonist, and acts a psychotropic agent[1][2].

  • CAS Number: 59831-65-1
  • MF: C21H22ClFN4O2
  • MW: 416.876
  • Catalog: Dopamine Receptor
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

β-Tocopherol-d3

β-Tocopherol-d3 is the deuterium labeled β-Tocopherol. β-Tocopherol is an analogue of vitamin E, exhibits antioxidant properties. β-Tocopherol can inhibit tyrosinase activity and melanin synthesis. β-Tocopherol also can prevent the inhibition of cell growth and of PKC activity caused by d-alpha-tocopherol[1][2][3].

  • CAS Number: 936230-75-0
  • MF: C28H45D3O2
  • MW: 419.70
  • Catalog: Tyrosinase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Allamandicin

Allamandicin is an iridoid lactones. Allamandicin can be isolated from the roots of Allamanda cathartica. Allamandicin is an inhibitor of tyrosinase[1].

  • CAS Number: 51838-83-6
  • MF: C15H16O7
  • MW: 308.28
  • Catalog: Tyrosinase
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 538.8±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 205.5±23.6 °C

2,5-Di-tert-butylhydroquinone

2,5-Di-tert-butylhydroquinone (DTBHQ), the indirect food additive, regulates the activity of 5-lipoxygenase as well as the activity of COX-2 (IC50=1.8 and 14.1 μM for 5-LO and COX-2, respectively) [1].

  • CAS Number: 88-58-4
  • MF: C14H22O2
  • MW: 222.323
  • Catalog: COX
  • Density: 1.0±0.1 g/cm3
  • Boiling Point: 334.4±37.0 °C at 760 mmHg
  • Melting Point: 216-218 °C(lit.)
  • Flash Point: 151.5±21.1 °C

PCSK9-IN-22

PCSK9-IN-22 (compound 29) is an orally active inhibitor of PCSK9. PCSK9-IN-22 inhibits the interaction of the protein with LDLR in vivo[1].

  • CAS Number: 2794203-47-5
  • MF: C28H30N6O
  • MW: 466.58
  • Catalog: Ser/Thr Protease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Tyrphostin 8

Tyrphostin 8 is a tyrosine kinase, with an IC50 of 560 μM for EGFR kinase. Tyrphostin 8 is also a GTPase inhibitor. Tyrphostin 8 can inhibit the protein serine/threonine phosphatase calcineurin (IC50=21 μM)[1][2][3].

  • CAS Number: 3785-90-8
  • MF: C10H6N2O
  • MW: 170.17
  • Catalog: Ras
  • Density: 1.29 g/cm3
  • Boiling Point: 354.3ºC at 760 mmHg
  • Melting Point: 186-189 °C
  • Flash Point: 168.1ºC

TC-E 5008

SYC-435 (SYC435) is a potent inhibitor of mutant IDH1, binds at the isocitrate pocket of mutated IDH1 with Ki values of 190 nM against IDH1 R132H and 120 nM against IDH1 R132C; SYC-435 is cell active and capable of significantly reducing D-2-HG production in an HT1080 fibrosarcoma cell line expressing IDH1 R132C (IC50=2.4 uM).

  • CAS Number: 50405-58-8
  • MF: C13H13NO2
  • MW: 215.248
  • Catalog: Isocitrate Dehydrogenase (IDH)
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 384.0±35.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 186.0±25.9 °C

2-D08

2-D08 is a cell permeable, mechanistically unique inhibitor of protein SUMOylation. 2-D08 also inhibits Axl with an IC50 of 0.49 nM.

  • CAS Number: 144707-18-6
  • MF: C15H10O5
  • MW: 270.237
  • Catalog: E1/E2/E3 Enzyme
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 517.9±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 201.7±23.6 °C

SHR168442

SHR168442 is a modulator of retinoid-related orphan receptor gamma (RORγ) with an IC50 value of 0.035 μM.

  • CAS Number: 2382961-86-4
  • MF: C23H25Cl2F2N3O3S
  • MW: 532.43
  • Catalog: ROR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

GI254023X

GI254023X is a potent MMP9 and ADAM10 inhibitor with IC50s of 2.5 and 5.3 nM, respectively.

  • CAS Number: 260264-93-5
  • MF: C21H33N3O4
  • MW: 391.50400
  • Catalog: MMP
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

3,5-Difluoro-L-tyrosine

3,5-Difluoro-L-tyrosine is a functional, tyrosinase-resistant mimetic of tyrosine. 3,5-Difluoro-L-tyrosine can be used to analyze the substrate specificity of protein tyrosine phosphatases (PTPs)[1].

  • CAS Number: 73246-30-7
  • MF: C9H9F2NO3
  • MW: 217.16900
  • Catalog: Phosphatase
  • Density: 1.475 g/cm3
  • Boiling Point: 387.9ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 188.4ºC

FMK13918

CVT-11127 is a potent SCD inhibitor. CVT-11127 induces apoposis and arrests the cell cycle at the G1/S phase. CVT-11127 has the potential for the research of lung cancer[1].

  • CAS Number: 1018674-83-3
  • MF: C25H23Cl2N5O3
  • MW: 512.38800
  • Catalog: Apoptosis
  • Density: 1.39±0.1 g/cm3(Predicted)
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Aristolochic acid C

Aristolochic acid C is a derivative of Aristolochic acid. Aristolochic acid is a phospholipase A2 (PLA2) inhibitor, which disrupts cortical microtubule arrays and root growth in Arabidopsis[1].

  • CAS Number: 4849-90-5
  • MF: C16H9NO7
  • MW: 327.245
  • Catalog: Phospholipase
  • Density: 1.7±0.1 g/cm3
  • Boiling Point: 658.7±55.0 °C at 760 mmHg
  • Melting Point: 287-292ºC
  • Flash Point: 352.1±31.5 °C

1-Naphthyl phosphate potassium salt

1-Naphthyl phosphate potassium salt is a non-specific phosphatase inhibitor. 1-Naphthyl phosphate potassium salt decreases the splice-correcting effect[1].

  • CAS Number: 100929-85-9
  • MF: C10H8KO4P
  • MW: 262.24000
  • Catalog: Phosphatase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Renin inhibitor-1

Renin inhibitor-1 (compound 26) is a potent and orally active renin inhibitor with IC50s of 0.9, 1.8 nM for rh-renin and hPRA, respectively. Renin inhibitor-1 shows antihypertensive efficacy. Renin inhibitor-1 has the potential for the research of hypertension and cardiovascular/renal diseases[1].

  • CAS Number: 1093082-54-2
  • MF: C22H30N4O4
  • MW: 414.50
  • Catalog: Renin
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

7-Benzyloxy-4-(trifluoromethyl)coumarin

7-Benzyloxy-4-(trifluoromethyl)coumarin (7-BFC) is a coumarin fluorescent substrate. 7-Benzyloxy-4-(trifluoromethyl)coumarin is a substrate for cDNA-expressed CYP1A2 and CYP3A4 and is metabolized to 7-hydroxy-4-trifluoromethylcoumarin (HFC). 7-Benzyloxy-4-(trifluoromethyl)coumarin is used for rapid CYP isoform metabolism and inhibition screening studies[1].

  • CAS Number: 220001-53-6
  • MF: C17H11F3O3
  • MW: 320.26300
  • Catalog: Cytochrome P450
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

NMS-E973

NMS-E973 is a potent and selective inhibitor of HSP90. NMS-E973 binds to the ATP binding site of Hsp90α with a DC50 of <10 nM. NMS-E973 is able to cross the blood-brain barrier (BBB). Antitumor efficacy[1].

  • CAS Number: 1253584-84-7
  • MF: C22H22N4O7
  • MW: 454.43300
  • Catalog: HSP
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

BI 1015550

BI 1015550 is an orally active inhibitor of PDE4B with an IC50 value of 7.2 nM. BI 1015550 has good safety and potential applications in inflammation, allergic diseases, pulmonary fibrosis, and chronic obstructive pulmonary disease (COPD)[1][2].

  • CAS Number: 1423719-30-5
  • MF: C20H25ClN6O2S
  • MW: 448.97
  • Catalog: Phosphodiesterase (PDE)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

HIV Protease Substrate 1 TFA

HIV Protease Substrate 1, a fiuorogenic HIV protease substrate, can be used to study enzymatic activity of HIV protease[1].

  • CAS Number: 223769-59-3
  • MF: C92H133N27O23S
  • MW: 2017.27
  • Catalog: HIV Protease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A