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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SBC-115337

SBC-115337, as a potent benzofuran compound, is a PCSK9 inhibitor with an IC50 value of 0.5 μM[1][2].

  • CAS Number: 423148-46-3
  • MF: C29H19N3O4
  • MW: 473.48
  • Catalog: Ser/Thr Protease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Aurantiamide acetate

Aurantiamide acetate (TMC-58A) is a selective and orally active cathepsin inhibitor isolated from Portulaca oleracea L. Aurantiamide acetate has anti-inflammatory activities and can be used for the study of  inflammatory diseases[1][2].

  • CAS Number: 56121-42-7
  • MF: C27H28N2O4
  • MW: 444.522
  • Catalog: Cathepsin
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 716.1±60.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 386.9±32.9 °C

8-CPT-Cyclic AMP sodium

8-CPT-Cyclic AMP (8-CPT-cAMP) sodium is a selective activator of cyclic AMP-dependent protein kinase (PKA). 8-CPT-Cyclic AMP sodium is also a potent inhibitor of the cyclic GMP-specific phosphodiesterase (PDE VA) with an IC50 of 0.9 μM. 8-CPT-Cyclic AMP sodium also inhibits PDE III and PDE IV with IC50Epac and is a potent Epac activator[1][2].

  • CAS Number: 93882-12-3
  • MF: C16H14ClN5NaO6PS
  • MW: 493.79
  • Catalog: Phosphodiesterase (PDE)
  • Density: N/A
  • Boiling Point: 799.2ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 437.1ºC

KGP-94

KGP-94 is a potent, selective cathepsin L inhibitor with IC50 of 189 nM, shows no significant inhibitory effect on cathepsin B (IC50>10 uM); significantly decreases the activity of cathepsin L toward human type I collagen, and impeds both migration and invasion of MDA-MB-231 human breast cancer cells; shows tumor growth retardation in a C3H mouse mammary carcinoma model.

  • CAS Number: 1131456-28-4
  • MF: C14H12BrN3OS
  • MW: 350.234
  • Catalog: Cathepsin
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

RORγt inhibitor 1

RORγt inhibitor 1 is a RORγt allosteric inhibitor with an IC50 value of 1 nM.

  • CAS Number: 1561770-72-6
  • MF: C23H21ClFN3O4
  • MW: 457.88
  • Catalog: ROR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

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

Ro 41-0960

Ro 41-0960 is a selective catechol-O-methyltransferase(COMT) inhibitor[1].

  • CAS Number: 125628-97-9
  • MF: C13H8FNO5
  • MW: 277.20500
  • Catalog: COMT
  • Density: 1.536g/cm3
  • Boiling Point: 489.9ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 250.1ºC

(12-2H1)Hexadecanoic acid

Palmitic acid-d1 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: 358730-99-1
  • MF: C16H31DO2
  • MW: 257.43
  • 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

ZLDI-8

ZLDI-8 (IAC-8) is a novel Notch signaling pathway inhibitor for Notch activating/cleaving enzyme ADAM-17, significantly decreases the level of NICD and accumulation of NICD in the nucleus; exhibits cytotoxic acitviity against MHCC97-H cells with IC50 of 5.32 uM, reduces the expression of pro-survival/anti-apoptosis regulators, Survivin and cIAP1/2, also increases the expression of epithelial marker E-Cadherin and reduces mesenchymal markers N-Cadherin and Vimentin in HCC cells; significantly disrupted the activity of Notch pathway in HCC cells and inhibits the epithelial-mesenchymal transition (EMT) process of HCC cells; ZLDI-8 treatment enhances the susceptibility of HCC cells to Sorafenib, Etoposide, and Paclitaxel both in vitro and in vivo.

  • CAS Number: 667880-38-8
  • MF: C24H23N3O3S
  • MW: 433.523
  • Catalog: Apoptosis
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Gac0003a4

GAC0003A4 is a novel LXR inverse agonist, functioning as LXR a degrader"

  • CAS Number: 927969-67-3
  • MF: C17H12F3N3O
  • MW: 331.2982
  • Catalog: LXR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

2-Amino-4-hydroxypteridine-6-carbaldehyde

6-Formylpterin is an inhibitor of Xanthine Oxidase. 6-Formylpterin induces intracellular ROS generation and apoptosis in HL-60 cells. 6-Formylpterin suppresses cell proliferation in PanC-1 cells[1].

  • CAS Number: 712-30-1
  • MF: C7H5N5O2
  • MW: 191.15
  • Catalog: Apoptosis
  • Density: 1.9±0.1 g/cm3
  • Boiling Point: 489.1ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 249.6ºC

PTP1B-IN-4

PTP1B-IN-4 is a non-competitive allosteric inhibitor of the protein tyrosine phosphatase PTP1B, with an IC50 of 8 μM. PTP1B-IN-4 is potentail for the research of obesity and diabetes[1][2].

  • CAS Number: 765317-72-4
  • MF: C26H19Br2N3O7S3
  • MW: 741.448
  • Catalog: Phosphatase
  • Density: 1.8±0.1 g/cm3
  • Boiling Point: 855.0±75.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 470.9±37.1 °C

Chlorogenic acid butyl ester

Chlorogenic acid butyl ester, a caffeoylquinic acid, is a potent melanogenesis inhibitor. Chlorogenic acid butyl ester inhibits the expression of microphtalmia-associated transcription factor (MITF), tyrosinase, tyrosinerelated protein 1 (TRP-1), and TRP-2. Chlorogenic acid butyl ester also shows antioxidant activity[1].

  • CAS Number: 132741-56-1
  • MF: C20H26O9
  • MW: 410.42
  • Catalog: Tyrosinase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

IHVR-11029

IHVR-11029 is a small molecule inhibitor of ER α-glucosidases, with an EC50 of 0.09 μM[1].

  • CAS Number: 1383152-30-4
  • MF: C18H27F2NO5
  • MW: 375.41
  • Catalog: Glucokinase
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 546.7±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 284.4±30.1 °C

Phosphoramidon disodium salt

Phosphoramidon disodium is a metalloprotease inhibitor. Phosphoramidon inhibits endothelin-converting enzyme (ECE), neutral endopeptidase (NEP), and angiotensin-converting enzyme (ACE) with IC50 values of 3.5, 0.034, and 78 μM, respectively.

  • CAS Number: 164204-38-0
  • MF: C23H32N3Na2O10P
  • MW: 587.47
  • Catalog: Angiotensin-converting Enzyme (ACE)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

HKB99

HKB99 is an allosteric inhibitor of phosphoglycerate mutase 1 (PGAM1). HKB99 inhibits the formation of invasive pseudopodia and increases the level of PAI-2 in vitro. HKB99 increases the oxidative stress, activates JNK/c-Jun and suppresses AKT and ERK. HKB99 can be used for the research of non-small-cell lung cancer (NSCLC)[1][2].

  • CAS Number: 2414908-90-8
  • MF: C23H18N2O6S
  • MW: 450.46
  • Catalog: Phosphatase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Atreleuton

Atreleuton (ABT-761) is a selective, reversible, and orally bioavailable 5-Lipoxygenase (5-LO) inhibitor. Atreleuton (ABT-761) exhibits potent and selective inhibition of leukotriene formation[1][2][3].

  • CAS Number: 154355-76-7
  • MF: C16H15FN2O2S
  • MW: 318.36600
  • Catalog: 5-Lipoxygenase
  • Density: 1.37g/cm3
  • Boiling Point: 506.7ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 260.2ºC

Simmitecan hydrochloride

Simmitecan hydrochloride, a 9-substituted lipophilic Camptothecin (HY-16560) derivative, is a potent topoisomerase I inhibitor. Simmitecan hydrochloride is an anticancer agent[1][2].

  • CAS Number: 1247847-78-4
  • MF: C34H39ClN4O6
  • MW: 635.150
  • Catalog: Topoisomerase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Coptisine sulfate

Coptisine Sulfate is an alkaloid from Chinese goldthread, and acts as an efficient uncompetitive IDO inhibitor with a Ki value of 5.8 μM and an IC50 value of 6.3 μM[1].

  • CAS Number: 1198398-71-8
  • MF: C19H15NO8S
  • MW: 417.389
  • Catalog: Indoleamine 2,3-Dioxygenase (IDO)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Dehydroglyasperin D

Dehydroglyasperin D inhibits rat and human Aldose Reductase (AR) (IC50: 62.4 μM and 176.2 μM respectively). Dehydroglyasperin D has anti-obesity, antioxidant effects. Dehydroglyasperin D shows anti-inflammatory activity by inhibiting COX-2 expression and the MLK3 signaling pathway. Dehydroglyasperin D also inhibits melanin synthesis. Dehydroglyasperin D is a prenylated flavonoid that can be isolated from Glycyrrhiza uralensi[1][2][3].

  • CAS Number: 517885-72-2
  • MF: C22H24O5
  • MW: 368.42
  • Catalog: COX
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 557.9±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 291.2±30.1 °C

VM4-037

VM4-037 can be used for the synthesis of VM4-037(18F). VM4-037(18F) is a fluorinated PET imaging agent for carbonic anhydrase IX[1].

  • CAS Number: 1071470-72-8
  • MF: C26H29FN6O7S2
  • MW: 620.67
  • Catalog: Carbonic Anhydrase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

AGN 196996

AGN 196996 is a potent and selective RARα antagonist with Ki value of 2 nM; little binding affinity for RARβ(Ki=1087 nM) and RARγ(Ki=8523 nM).IC50 value: 2 nM(Ki)Target: RARα antagonistAGN 196996 shows no activity in transactivation assays, but instead block the gene transcriptional activity induced by ATRA and other RAR agonists.

  • CAS Number: 958295-17-5
  • MF: C24H20BrNO5
  • MW: 482.32300
  • Catalog: RAR/RXR
  • Density: 1.453±0.06 g/cm3 (20 °C, 760 mmHg)
  • Boiling Point: 619.8±55.0 °C (760 mmHg)
  • Melting Point: N/A
  • Flash Point: N/A

BMS-767778

BMS-767778, a DPP-4 inhibitor, is used potentially for the treatment of type 2 diabetes.

  • CAS Number: 915729-95-2
  • MF: C19H20Cl2N4O2
  • MW: 407.29
  • Catalog: Dipeptidyl Peptidase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

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

Atg4B-IN-2

Atg4B-IN-2 is a potent competitive Atg4B inhibitor with Ki value of 3.1 μM, also possesses declining PLA2 inhibitory potency, IC50s of 11 μM and 3.5 μM for Atg4B and PLA2, respectively. Atg4B-IN-2 enhances the anticancer activity of anti-castration-resistant prostate cancer drugs via autophagy inhibition[1].

  • CAS Number: 2765008-88-4
  • MF: C21H30O3
  • MW: 330.46
  • Catalog: Autophagy
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

H-Ile-Pro-Pro-OH hydrochloride

H-Ile-Pro-Pro-OH hydrochloride, a milk-derived peptide[1], inhibits angiotensin-converting enzyme (ACE)[1] with an IC50 of 5 μM[2]. Antihypertensive tripeptides[1].

  • CAS Number: 1208862-61-6
  • MF: C16H28ClN3O4
  • MW: 361.86
  • Catalog: Angiotensin-converting Enzyme (ACE)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

20(21)-Dehydrolucidenic acid A

20(21)-Dehydrolucidenic acid A is a triterpenoid isolated from the fruiting body of the fungus Ganoderma sinense. 20(21)-Dehydrolucidenic acid A has weak anti-HIV-1 protease activity[1].

  • CAS Number: 852936-69-7
  • MF: C27H36O6
  • MW: 456.57100
  • Catalog: HIV Protease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: 135-137 °C
  • Flash Point: N/A

Mito-TEMPO

Mito-TEMPO is a mitochondria-targeted superoxide dismutase mimetic with superoxide and alkyl radical scavenging properties.

  • CAS Number: 1334850-99-5
  • MF: C29H35ClN2O2P
  • MW: 510.03
  • Catalog: Mitochondrial Metabolism
  • Density: N/A
  • 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

SW 033291

SW033291 is a small-molecule inhibitor of 15-PGDH (Ki=0.1 nM) that increases prostaglandin PGE2 levels in bone marrow and other tissues.IC50 value: 0.1 nM(Ki) [1]Target: 15-PGDHin vitro: SW033291 inhibition of 15-PGDH was noncompetitive versus PGE2 over concentrations up to 40 μM PGE2. SW033291 also demonstrated selective high-affinity interaction with 15-PGDH in thermal denaturation assays. Treatment of A549 cells with SW033291 increased PGE2 levels by 3.5-fold at 500 nM, with 50% of maximal stimulation (EC50) at ~75 nM [1].in vivo: mice injected with SW033291 closely phenocopied 15-PGDH knockout mice, with 10 mg per kg of weight (mg/kg) SW033291 inducing a twofold increase in PGE2 levels in bone marrow, colon, lung, and liver. Mice injected with SW033291 at 20 mg/kg daily for 7 days showed equivalent daily weights and activity as mice injected with vehicle-control and showed no adverse changes in blood counts or serum chemistry [1].

  • CAS Number: 459147-39-8
  • MF: C21H20N2OS3
  • MW: 412.591
  • Catalog: 15-PGDH
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 670.1±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 359.0±31.5 °C