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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Metabolic Enzyme/Protease >
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
Neuronal Signaling >
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NF-κB >
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Resorufin methyl ether

Resorufin methyl ether (Methoxyresorufin) is a cytochrome P450 fluorometric substrate[1]. Resorufin methyl ether is a relatively specific substrate for CYP1A2 activity in rodents[1][2].

  • CAS Number: 5725-89-3
  • MF: C13H9NO3
  • MW: 227.21500
  • Catalog: Cytochrome P450
  • Density: 1.33 g/cm3
  • Boiling Point: 378.8ºC at 760 mmHg
  • Melting Point: ≥220ºC(lit.)
  • Flash Point: 187.3ºC

HIV-1 protease-IN-12

HIV-1 protease-IN-12 (compound 35b) is a HIV-1 protease inhibitor with an IC50 of 0.51 nM. HIV-1 protease-IN-12 also inhibits drug-resistant variant[1].

  • CAS Number: 2925287-59-6
  • MF: C25H35N3O5S
  • MW: 489.63
  • Catalog: HIV Protease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Sildenafil-d3

Sildenafil-d3 is deuterium labeled Sildenafil-d3. Sildenafil (UK-92480) is a potent phosphodiesterase type 5 (PDE5) inhibitor with an IC50 of 5.22 nM.

  • CAS Number: 1126745-90-1
  • MF: C22H27D3N6O4S
  • MW: 477.595
  • Catalog: Phosphodiesterase (PDE)
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 672.4±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 360.5±34.3 °C

RORγt agonist 3

RORγt agonist 3 is a potent agonist of RORγt. RORγt agonist 3 promotes the differentiation of Th17 cells and enhances the levels of pro-inflammatory cytokines, thereby increasing the cytotoxicity of lymphocytes. RORγt agonist 3 inhibits the production of regulatory T cells, which suppresses the immune response (extracted from patent WO2021136326A1, compound 23)[1].

  • CAS Number: 2664106-24-3
  • MF: C34H37N3O3S
  • MW: 567.74
  • Catalog: ROR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Trelagliptin

Trelagliptin(SYR-472) is a long acting dipeptidyl peptidase-4 (DPP-4) inhibitor that is being developed for the treatment of type 2 diabetes (T2D). IC50 value:Target: DPP4Two Phase II clinical studies have been completed with Efficacy and Safety of SYR-472 in Subjects With Type 2 Diabetes Mellitus. Phase III clinical studies with trelagliptin in Japan to evaluate its safety and efficacy in a once-weekly oral treatment regimen. Currently, all available DPP-4 inhibitors are dosed once-daily. A once-weekly treatment, such as trelagliptin, would provide patients with a convenient treatment alternative and has the potential to improve treatment compliance.

  • CAS Number: 865759-25-7
  • MF: C18H20FN5O2
  • MW: 357.382
  • Catalog: Dipeptidyl Peptidase
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 519.0±60.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 267.7±32.9 °C

Captopril-d3

Captopril-d3 is deuterium labeled Captopril. Captopril (SQ 14225), antihypertensive agent, is a thiol-containing competitive, orally active angiotensin-converting enzyme (ACE) inhibitor (IC50=0.025 μM) and has been widely used for research of hypertension and congestive heart failure. Captopril is also a New Delhi metallo-β-lactamase-1 (NDM-1) inhibitor with an IC50 of 7.9 μM[1][2][3].

  • CAS Number: 1356383-38-4
  • MF: C9H12D3NO3S
  • MW: 220.30
  • Catalog: Angiotensin-converting Enzyme (ACE)
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 427.0±40.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 212.1±27.3 °C

LY191704

LY191704, as a benzoquinolinone, is a potent, nonsteroidal, noncompetitive and selective human type I 5α-reductase inhibitor. LY191704 is a racemic mixture of the compounds LY300502 and LY300503. LY191704 may be useful in the research of human endocrine disorders associated with overproduction of dihydrotestosterone (DHT) by 5α-reductase type 1[1][2].

  • CAS Number: 146117-78-4
  • MF: C14H16ClNO
  • MW: 249.73600
  • Catalog: 5 alpha Reductase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Nav1.7-IN-8

Nav1.7-IN-8 is a potent blockage of NaV1.7 with high selectivity for the inhibition of NaV1.7 over the subtypes hNaV1.1 and hNaV1.5. Nav1.7-IN-8 inhibits CYP2C9 and CYP3A4 with an IC50 of 0.17 μM and 0.077 μM, respectively. Nav1.7-IN-8 displays significant analgesic effects in rodent models of acute and inflammatory pain[1].

  • CAS Number: 1432913-44-4
  • MF: C21H12ClF2N5O4S2
  • MW: 535.93
  • Catalog: Sodium Channel
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Indolapril hydrochloride [USAN]

Indolapril hydrochloride (CI-907) is an orally active nonsulfhydryl angiotensin converting enzyme (ACE) inhibitor. Indolapril hydrochloride is highly specific in suppressing the contractile or pressor responses to Angiotensin I. Indolapril hydrochloride is a potent antihypertensive agent[1].

  • CAS Number: 80828-32-6
  • MF: C24H35ClN2O5
  • MW: 466.99800
  • Catalog: Angiotensin-converting Enzyme (ACE)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

SCD1 inhibitor-4

SCD1 inhibitor-4 is a potent, orally active stearoylCoA desaturase-1 (SCD1) inhibitor. SCD1 inhibitor-4 can be used for the research of diabetes[1].

  • CAS Number: 1295541-87-5
  • MF: C17H16F3N5O
  • MW: 363.34
  • Catalog: Stearoyl-CoA Desaturase (SCD)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Benazepril-d5 (hydrochloride)

Benazepril-d5 (hydrochloride) is deuterium labeled Benazepril (hydrochloride).

  • CAS Number: 1279026-26-4
  • MF: C24H24D5ClN2O5
  • MW: 465.98
  • Catalog: Angiotensin-converting Enzyme (ACE)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: 178-180°C
  • Flash Point: N/A

hCAI/II-IN-2

hCAI/II-IN-2 (compound 2b) is a potent dual hCA I/II inhibitor with Ki values of 40.97, 15.15 and 61.88 nM for hCA I, hCA II and hCA Ⅸ. hCAI/II-IN-2 possesses anti-hypoxic activity against acute mountain sickness (AMS) and low cellular activity[1].

  • CAS Number: 2480283-75-6
  • MF: C12H12N4O5S2
  • MW: 356.38
  • Catalog: Carbonic Anhydrase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

HZ-1157

HZ-1157 inhibits HCV NS3/4A protease with an IC50 of 1.0 μmol/L. HZ-1157 (4a) has a high dengue virus inhibitory activity (EC50 = 0.15 μM) and is a relatively nontoxic (CC50 > 10 μM) dengue antiviral agent[1][2].

  • CAS Number: 1009734-33-1
  • MF: C12H16N4O
  • MW: 232.282
  • Catalog: HCV Protease
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 471.6±53.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 239.0±30.9 °C

Silidianin

Silydianin is an active constituent of Silybium marianum, with exhibit anti-collagenase, antitumor and anti-elastase activities. Silydianin is a natural protein tyrosine phosphatase 1B (PTP1B) with an IC50 of 17.38 μM. Silydianin has inhibitory effect on the in vitro production and release of oxidative products[1][2][3].

  • CAS Number: 29782-68-1
  • MF: C25H22O10
  • MW: 482.436
  • Catalog: Phosphatase
  • Density: 1.7±0.1 g/cm3
  • Boiling Point: 819.0±65.0 °C at 760 mmHg
  • Melting Point: 191 °C
  • Flash Point: 285.0±27.8 °C

KHK-IN-2

KHK-IN-2 is a potent and selective ketohexokinase (KHK) inhibitor with an IC50 of 0.45 μM.

  • CAS Number: 2135304-43-5
  • MF: C16H19F3N4O3
  • MW: 372.34
  • Catalog: Hexokinase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Acetylshikonin

Acetylshikonin, derived from the root of Lithospermum erythrorhizon, has anti-cancer and antiinflammation activity. Acetylshikonin is a non-selective cytochrome P450 inhibitor against all P450s (IC50 values range from 1.4-4.0 μM). Acetylshikonin is an AChE inhibitor and exhibits potent antiapoptosis activity[1][2][3].

  • CAS Number: 24502-78-1
  • MF: C18H18O6
  • MW: 330.332
  • Catalog: Cytochrome P450
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 553.2±50.0 °C at 760 mmHg
  • Melting Point: 86°C
  • Flash Point: 201.3±23.6 °C

Sodium 2-methyl-3-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]-2H-1,2-b enzothiazin-4-olate 1,1-dioxide hydrate (1:1:1)

Meloxicam sodium is a non-steroidal anti-inflammatory agent, inhibits COX activity, with IC50s of 0.49 µM and 36.6 µM for COX-2 and COX-1, respectively[1].

  • CAS Number: 71125-39-8
  • MF: C14H14N3NaO5S2
  • MW: 391.39800
  • Catalog: Apoptosis
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Grp94 Inhibitor-1

Grp94 Inhibitor-1 is a potent, selective Grp94 inhibitor with an IC50 value of 2 nM, and over 1000-fold selectivity to Grp94 against Hsp90α[1].

  • CAS Number: 2234897-35-7
  • MF: C22H28N2O2
  • MW: 352.47
  • Catalog: HSP
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

PMSF

PMSF is an irreversible serine/cysteine protease inhibitor commonly used in the preparation of cell lysates.

  • CAS Number: 329-98-6
  • MF: C7H7FO2S
  • MW: 174.193
  • Catalog: Cathepsin
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 285.7±19.0 °C at 760 mmHg
  • Melting Point: 92-95 °C
  • Flash Point: 126.6±21.5 °C

Casopitant mesylate

Casopitant mesylate (GW679769B) is a potent, selective, brain permeable and orally active neurokinin 1 (NK1) receptor antagonist. Casopitant mesylate is a second in the class of antiemetics that acts to antagonise the emetogenic effect of substance P. Casopitant mesylate is also a substrate and a weak-to-moderate inhibitor of CYP3A4. Casopitant mesylate can be used for chemotherapy-induced nausea and vomiting (CINV) and postoperative nausea and vomiting (PONV)[1][2].

  • CAS Number: 414910-30-8
  • MF: C31H39F7N4O5S
  • MW: 712.71900
  • Catalog: Neurokinin Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Dabigatran (ethyl ester hydrochloride)

Dabigatran ethyl ester hydrochloride is a potent inhibitor of ribosyldihydronicotinamide dehydrogenase (NQO2) with an IC50 value of 0.8 μM and a thrombin inhibitor.

  • CAS Number: 211914-50-0
  • MF: C27H30ClN7O3
  • MW: 536.025
  • Catalog: Thrombin
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Abiraterone Acetate

Abiraterone acetate is an oral, potent, selective, and irreversible inhibitor of CYP17.

  • CAS Number: 154229-18-2
  • MF: C26H33NO2
  • MW: 391.546
  • Catalog: Cytochrome P450
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 506.7±50.0 °C at 760 mmHg
  • Melting Point: 127-130°C
  • Flash Point: 260.2±30.1 °C

ONO 6818

Freselestat (ONO-6818) is a potent and orally active neutrophil elastase inhibitor with a Ki of 12.2 nM. Freselestat is >100-fold less-active against other proteases such as trypsin, protein-ase 3, pancreatic elastase, plasmin, thrombin, collagenase, cathepsin G, and murine macrophage elastase. Freselestat has a potent anti-inflammatory activity[1][2][3][4].

  • CAS Number: 208848-19-5
  • MF: C23H28N6O4
  • MW: 452.50600
  • Catalog: Elastase
  • Density: 1.32g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

YTX-465

YTX-465 (YTX465) is a specific small molecule that rescues yeast from a-Syn cytotoxicity with EC50 of 15 nM, via inhibiting Ole1, the yeast homolog of human stearoyl-CoA desaturase (SCD); YTX-465 is inactive at SCD1.

  • CAS Number: 2225824-53-1
  • MF: C25H26N6O3
  • MW: 458.522
  • Catalog: Stearoyl-CoA Desaturase (SCD)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Idraparinux sodium

Idraparinux (sodium) is a polymethylated synthetic pentasaccharide known to interact with the antithrombin III and act as anticoagulant.

  • CAS Number: 149920-56-9
  • MF: C38H55Na9O49S7
  • MW: 1727.177
  • Catalog: Thrombin
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

(S,R)-WT IDH1 Inhibitor 2

(S,R)-WT IDH1 Inhibitor 2 (GSK321) is a potent, selective mutant IDH1 inhibitor with IC50 values of 2.9, 3.8, 4.6 and 46 nM for R132G, R132C, R132H and WT IDH1, respectively, and >100-fold selectivity over IDH2. (S,R)-WT IDH1 Inhibitor 2 induces decrease in intracellular 2-HG, abrogation of the myeloid differentiation block and induction of granulocytic differentiation at the level of leukemic blasts and more immature stem-like cells. (S,R)-WT IDH1 Inhibitor 2 can be used for research of acute myeloid leukemia (AML) and other cancers[1].

  • CAS Number: 1816272-18-0
  • MF: C28H28FN5O3
  • MW: 501.55
  • Catalog: Isocitrate Dehydrogenase (IDH)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Kushenol A

Kushenol A is isolated from the root of Sophora flavescent, a non-competitive tyrosinase inhibitor with IC50 and Ki values of 1.1 μM and 0.4 μM, respectively[1].Kushenol A is a flavonoid antioxidant, has inhibitory effects on alpha-glucosidase and beta-amylase[2].Kushenol A is confirmed as potential inhibitors of enzymes targeted by cosmetics for skin whitening and aging[1].

  • CAS Number: 99217-63-7
  • MF: C25H28O5
  • MW: 408.487
  • Catalog: Tyrosinase
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 581.7±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 195.8±23.6 °C

ATX inhibitor 14

ATX inhibitor 14 (compound 4), a indole-based carbamate derivative, is a potent autotaxin (ATX) inhibitor with an IC50 of 0.41 nM. ATX inhibitor 14 has the potential for fibrosis relevant diseases research[1].

  • CAS Number: 2484811-39-2
  • MF: C26H26Cl2N4O3S
  • MW: 545.48
  • Catalog: Phosphodiesterase (PDE)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

ikshusterol 3-o-glucoside

Ikshusterol 3-O-glucoside is a phytochemical that inhibits PLA2 from snake venoms[1].

  • CAS Number: 112137-81-2
  • MF: C35H60O7
  • MW: 592.85
  • Catalog: Phospholipase
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 704.8±60.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 380.0±32.9 °C

AHR-5333

AHR-5333 is a selective human blood neutrophil 5-lipoxygenase inhibitor. AHR-5333 exhibits potent, long-acting activity in rat and guinea pig in vivo models of immediate hypersensitivity[1].

  • CAS Number: 60284-71-1
  • MF: C30H33F2NO4
  • MW: 509.58400
  • Catalog: 5-Lipoxygenase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A