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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PU-H71

PU-H71 is a potent Hsp90 inhibitor, with an IC50 of 51 nM in MDA-MB-468 cells.

  • CAS Number: 873436-91-0
  • MF: C18H21IN6O2S
  • MW: 512.368
  • Catalog: HSP
  • Density: 1.8±0.1 g/cm3
  • Boiling Point: 650.6±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 347.3±34.3 °C

KU-32

KU-32 is a novel, novobiocin-based Hsp90 inhibitor that can protect against neuronal cell death.

  • CAS Number: 956498-70-7
  • MF: C20H25NO8
  • MW: 407.41400
  • Catalog: HSP
  • Density: 1.37±0.1 g/cm3 (20 °C, 760 mmHg)
  • Boiling Point: 668.1±55.0 °C (760 mmHg)
  • Melting Point: N/A
  • Flash Point: N/A

N-Arachidonyl maleimide

N-Arachidonyl maleimide is a potent, irreversible inhibitor of monoacylglycerol lipase (MAGL) with an IC50 value of 140 nM[1].

  • CAS Number: 876305-42-9
  • MF: C24H35NO2
  • MW: 369.540
  • Catalog: MAGL
  • Density: 1.0±0.1 g/cm3
  • Boiling Point: 492.9±34.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 185.2±18.0 °C

rubrofusarin-6-glucoside

Rubrofusarin 6-O-β-D-glucopyranoside, the glycoside of Rubrofusarin, is a protein tyrosine phosphatase 1B (PTP1B) inhibitor with the IC50 of 87.36 μM. Rubrofusarin 6-O-β-D-glucopyranoside can be used for the research of comorbid diabetes and depression[1].

  • CAS Number: 132922-80-6
  • MF: C21H22O10
  • MW: 434.39300
  • Catalog: Phosphatase
  • Density: 1.558g/cm3
  • Boiling Point: 734.8ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 260.2ºC

Cassiaside B2

Cassiaside B2 is a protein tyrosine phosphatase 1B (PTP1B) and human monoamine oxidase A (hMAO-A) inhibitor. Cassiaside B2 possesses antiallergic and is a 5-HT2C receptor agonist[1][2].[3]..

  • CAS Number: 218155-40-9
  • MF: C39H52O25
  • MW: 920.82
  • Catalog: 5-HT Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

CYP3A4-IN-3

CYP3A4-IN-3 is a high-affinity specific inhibitor of cytochrome P450 3A4 (CYP3A4) with the IC50 value of 0.075 μM. CYP3A4-IN-3 is a ritonavir analogue, but with a simpler structure and twice the inhibitory effect of ritonavir. CYP3A4-IN-3 is used as an antiviral agent and immunosuppressant[1].

  • CAS Number: 2562384-19-2
  • MF: C34H39N3O3S
  • MW: 569.76
  • Catalog: Cytochrome P450
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

MT-3014

MT-3014 is a potent, highly selective and brain-penetrated phosphodiesterase 10A (PDE 10A) inhibitor, with IC50s of 0.062 nM and 0.09 nM for human PDE 10A and bovine PDE 10A, respectively[1].

  • CAS Number: 1332727-40-8
  • MF: C23H25F2N7O
  • MW: 453.49
  • Catalog: Phosphodiesterase (PDE)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Quinapril-d5 hydrochloride

Quinapril-d5 hydrochloride (CI-906-d5) is the deuterium labeled Quinapril hydrochloride. Quinapril hydrochloride (CI-906) is a prodrug that belongs to the angiotensin-converting enzyme (ACE) inhibitor class of medications[1][2].

  • CAS Number: 1356020-03-5
  • MF: C25H26D5ClN2O5
  • MW: 480.01
  • Catalog: Angiotensin-converting Enzyme (ACE)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

HA-155

(E/Z)-HA155 is a potent autotaxin (ATX) type I inhibitor. (E/Z)-HA155 can be used for researching cancer, fibrotic diseases, inflammation, pain and angiogenesis[1].

  • CAS Number: 1229652-22-5
  • MF: C24H19BFNO5S
  • MW: 463.29
  • Catalog: Phosphodiesterase (PDE)
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 691.0±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 371.7±34.3 °C

SYP-5

SYP-5 is a novel HIF-1 inhibitor, suppresses tumor cells invasion and angiogenesis.

  • CAS Number: 1384268-04-5
  • MF: C18H16O3S
  • MW: 312.383
  • Catalog: HIF/HIF Prolyl-Hydroxylase
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 502.0±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 257.4±30.1 °C

Zileuton

Zileuton is a potent and selective inhibitor of 5-lipoxygenase with antiasthmatic properties.

  • CAS Number: 111406-87-2
  • MF: C11H12N2O2S
  • MW: 236.290
  • Catalog: 5-Lipoxygenase
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 449.4±47.0 °C at 760 mmHg
  • Melting Point: 157-158°C
  • Flash Point: 225.6±29.3 °C

(R)-(-)-Rolipram

(R)-(-)-Rolipram is the R-enantiomer of Rolipram. Rolipram is a selective inhibitor of phosphodiesterases PDE4 with IC50 of 3 nM, 130 nM and 240 nM for PDE4A, PDE4B, and PDE4D, respectively.

  • CAS Number: 85416-75-7
  • 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: 134 °C
  • Flash Point: 239.7±28.7 °C

D609

D609 is a selective competitive inhibitor of phosphatidyl choline-specific phospholipase C (PC-PLC), with Ki of 6.4 μM.

  • CAS Number: 83373-60-8
  • MF: C11H15KOS2
  • MW: 266.465
  • Catalog: Phospholipase
  • Density: 1.24 g/cm3
  • Boiling Point: 303.8ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 137.5ºC

Z-FG-NHO-BzOME

Z-FG-NHO-BzOME is a cysteine protease inhibitor that selectively inhibits cathepsin B, cathepsin L, cathepsin S, and papain[1].

  • CAS Number: 180313-86-4
  • MF: C27H27N3O7
  • MW: 505.52
  • Catalog: Cathepsin
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

UNII:3I7LZ8M32B

6-Fluorotryptophan, a competitive inhibitor of tryptophan hydroxylase, produced a transient disruption of sleep in rats chronically implanted with EEG recording electrodes[1].

  • CAS Number: 7730-20-3
  • MF: C11H11FN2O2
  • MW: 222.216
  • Catalog: Tryptophan Hydroxylase
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 450.7±45.0 °C at 760 mmHg
  • Melting Point: 280-285 °C (dec.)(lit.)
  • Flash Point: 226.4±28.7 °C

Ralpancizumab

Ralpancizumab is a selective PCSK9 inhibitor with potential application in hemorrhagic stroke[1].

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

NC1

NC1 is a novel highly active allosteric inhibitor of protein tyrosine phosphatase, non-receptor type 22 (PTPN22) which is a lymphoid-specific tyrosine phosphatase (LYP).

  • CAS Number: 445406-82-6
  • MF: C29H26N2O7S
  • MW: 546.594
  • Catalog: Phosphatase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Revizinone

Revizinone is a novel selective phosphodiesterase (PDE) inhibitor with IC50 values on this enzyme to 0.036 microM. target: phosphodiesterase (PDE)[3]; IC 50: 0.036 microM; [3]In vivo: The administration of Revizinone improved the haemodynamic profile with an increase in cardiac output, a decrease in systemic vascular resistance and a stable heart rate and mean arterial blood pressure. [1] With regard to reconstitution of contractility and cardiac function Revizinone (E-isomer) was 10 fold more potent than R 79595 and nearly 100 fold more potent than R 80123 (Z-isomer). [2] Revizinone significantly increased global LV function and systolic wall thickening in ischemic areas at doses greater than or equal to 0.16 mg/kg i.v. [4]

  • CAS Number: 133718-29-3
  • MF: C26H29N5O3
  • MW: 459.54000
  • Catalog: Phosphodiesterase (PDE)
  • Density: 1.336g/cm3
  • Boiling Point: 627.743ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 333.447ºC

Suc-Ala-Ala-Pro-Arg-pNA acetate salt

Suc-AAPR-pNA is a substrate of trypsin acyl-enzymes. Suc-AAPR-pNA can be used to test trypsin acyl-enzymes activity[1][2].

  • CAS Number: 131068-47-8
  • MF: C27H39N9O9
  • MW: 633.65
  • Catalog: Ser/Thr Protease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Safusidenib

Safusidenib is an orally bioavailable, selective mutant IDH1 inhibitor. Safusidenib strongly inhibits mutant IDH1 but not wild-type IDH1. Safusidenib impairs tumor activity in chondrosarcoma[1]. Safusidenib exhibits activity against IDH1R132H, and IDH1R132C with IC50s of 15, and 130 nM in assays without any preincubation, respectively[2].

  • CAS Number: 1898206-17-1
  • MF: C25H18Cl3FN2O4
  • MW: 535.78
  • Catalog: Isocitrate Dehydrogenase (IDH)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

LDCA

LDCA is a dual-hit metabolic modulator and inhibits LDH-A enzyme activity to stimulate apoptosis in the malignant population. LDCA can be used for the research of oncogenic progression[1].

  • CAS Number: 349106-80-5
  • MF: C8H5Cl3FNO
  • MW: 256.49
  • Catalog: Apoptosis
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

AMPD2 inhibitor 1

AMPD2 inhibitor 1 is an adenosine monophosphate deaminase 2 (AMPD2) inhibitor, used in the research of sugar craving, salt craving, umami craving, and addictions including drug, tobacco, nicotine and alcohol addictions.

  • CAS Number: 2139356-35-5
  • MF: C25H22N2O2
  • MW: 382.45
  • Catalog: Adenosine Deaminase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Triolein-d5

Triolein-d5 is the deuterium labeled Triolein. Triolein is a symmetrical triacylglycerol, reduces MMP-1 upregulation, with strong antioxidant and anti-inflammatory properties[1].

  • CAS Number: 60892-83-3
  • MF: C57H99D5O6
  • MW: 890.46
  • Catalog: MMP
  • Density: 0.9±0.1 g/cm3
  • Boiling Point: 818.7±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 302.7±31.5 °C

Nevanimibe

Nevanimibe (PD-132301; ATR101) is a selective and potent acyl-coenzyme A:cholesterol O-acyltransferase 1 (ACAT1) inhibitor with an EC50 of 9 nM. Nevanimibe (PD-132301; ATR101) inhibits ACAT2 with an EC50 of 368 nM[1].

  • CAS Number: 133825-80-6
  • MF: C28H41N3O
  • MW: 435.64500
  • Catalog: Acyltransferase
  • Density: 1.062g/cm3
  • Boiling Point: 528.1ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 273.2ºC

Okadaic acid

Okadaic acid is extracted from black sponges of the genus Halichondria. Okadaic acid is a non-comepetitive, selective and reversible serine/threonine-specific protein phosphatases 1 (PP1), PP2A and PP3 inhibitor with IC50s of 10-15 nM, 0.5 nM and 4 nM, respectively.[1][2] Okadaic acid eliminate metazoan symbionts/parasites by apoptosis[3].

  • CAS Number: 78111-17-8
  • MF: C44H68O13
  • MW: 805.003
  • Catalog: Apoptosis
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 921.6±65.0 °C at 760 mmHg
  • Melting Point: 164-166ºC
  • Flash Point: 269.4±27.8 °C

Kojic acid dipalmitate

Kojic acid dipalmitate (Kojic dipalmitate) is a derivative of Kojic acid (HY-W050154), a fungal metabolite that can be produced by species of Aspergillus, Acetobacter and Penicillium. Kojic acid dipalmitate is a slow and reversible competitive inhibitor of tyrosinase. Kojic acid dipalmitate can be used for skin‐lightening agent research[1].

  • CAS Number: 79725-98-7
  • MF: C38H66O6
  • MW: 618.927
  • Catalog: Tyrosinase
  • Density: 1.0±0.1 g/cm3
  • Boiling Point: 684.7±55.0 °C at 760 mmHg
  • Melting Point: 92-96ºC
  • Flash Point: 273.9±31.5 °C

NSP-805

NSP-805 is a potent and selective inhibitor of guinea pig cardiac phosphodiesterase 3 (PDE3), and a cardiotonic agent with vasodilator properties.

  • CAS Number: 125068-54-4
  • MF: C17H19N3O2
  • MW: 297.35200
  • Catalog: Phosphodiesterase (PDE)
  • Density: 1.3g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

CA 074 TFA

CA-074 is a potent inhibitor of cathepsin B with a Ki of 2 to 5 nM.

  • CAS Number: 134448-10-5
  • MF: C18H29N3O6
  • MW: 383.43900
  • Catalog: Cathepsin
  • Density: 1.267g/cm3
  • Boiling Point: 728.9ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 394.7ºC

BAY 87-2243

BAY 87-2243 is a highly potent and selective hypoxia-inducible factor-1 (HIF-1) inhibitor.

  • CAS Number: 1227158-85-1
  • MF: C26H26F3N7O2
  • MW: 525.526
  • Catalog: HIF/HIF Prolyl-Hydroxylase
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 677.7±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 363.7±34.3 °C

VT-464

Seviteronel (VT-464) is a potent CYP17 lyase inhibitor(h-Lyase IC50=69 nM) that demonstrated both exceptional in vitro lyase/hydroxylase selectivity (~10-fold) and oral activity in a hamster model of androgen biosynthesis inhibition.

  • CAS Number: 1610537-15-9
  • MF: C18H17F4N3O3
  • MW: 399.340
  • Catalog: Cytochrome P450
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 536.3±45.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 278.2±28.7 °C