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 >
Arenavirus Bacterial CMV Enterovirus Filovirus Fungal HBV HCV HIV HSV Influenza Virus Parasite Reverse Transcriptase RSV SARS-CoV
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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
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Irsenontrine

Irsenontrine (E2027) is an orally active and selective phosphodiesterase 9 (PDE 9) inhibitor. Irsenontrine can be used for the research of neurological diseases[1].

  • CAS Number: 1429509-82-9
  • MF: C22H22N4O3
  • MW: 390.44
  • Catalog: Phosphodiesterase (PDE)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Fraxamoside

Fraxamoside is a competitive xanthine oxidase inhibitor with an IC50 of 16.1 μM and a Ki of 0.9 μM[1].

  • CAS Number: 326594-34-7
  • MF: C25H30O13
  • MW: 538.50
  • Catalog: Xanthine Oxidase
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 825.8±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 277.9±27.8 °C

Sitagliptin-d4 phosphate

Sitagliptin-d4 (MK-0431-d4) phosphate is the deuterium labeled Sitagliptin phosphate. Sitagliptin phosphate (MK-0431 phosphate) is a potent inhibitor of DPP4 with an IC50 of 19 nM in Caco-2 cell extracts[1][2].

  • CAS Number: 1432063-88-1
  • MF: C16H14D4F6N5O5P
  • MW: 509.33
  • Catalog: Autophagy
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Bestatin hydrochloride

Bestatin hydrochloride is an inhibitor of CD13 (Aminopeptidase N)/APN and leukotriene A4 hydrolase, used for cancer treatment.

  • CAS Number: 65391-42-6
  • MF: C16H25ClN2O4
  • MW: 344.834
  • Catalog: Aminopeptidase
  • Density: N/A
  • Boiling Point: 604.7ºC at 760 mmHg
  • Melting Point: 216-218 °C
  • Flash Point: 319.5ºC

Alogliptin benzoate

Alogliptin benzoate(SYR 322) is a potent, selective inhibitor of DPP-4 with IC50 of <10 nM, exhibits greater than 10,000-fold selectivity over DPP-8 and DPP-9.IC50 value: <10 nMTarget: DPP4Alogliptin is an orally administered, anti-diabetic drug in the DPP-4 inhibitor class. A randomized clinical trial reporting in 2011 aimed to determine the efficacy and safety of alogliptin versus placebo and voglibose among newly diagnosed Type 2 diabetes patients in Japan. The main outcome indicated that alogliptin was statistically superior to both comparitors. A randomized clinical trial reporting in 2012 aimed to demonstrate that alogliptin was "non-inferior" to a "very low fat/calorie traditional Japanese diet" among newly diagnosed Type 2 diabetes patients in Japan. The outcome indicated that both the drug and dietary treatments comparably impacted indicators of the diabetic condition, such as HbA1c levels and glycemic efficacy. The drug treatment had its impact without changing body mass index (BMI), but the dietary treatment was accompanied by a significant reduction in the BMI…

  • CAS Number: 850649-62-6
  • MF: C25H27N5O4
  • MW: 461.513
  • Catalog: Dipeptidyl Peptidase
  • Density: N/A
  • Boiling Point: 671.2ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 359.7ºC

Picrinine

Picrinine, an akuammiline alkaloid, is isolated from the leaves of Alstonia scholaris. Picrinine exhibits anti-inflammatory activity through inhibition of the 5-lipoxygenase enzyme[1].

  • CAS Number: 4684-32-6
  • MF: C20H22N2O3
  • MW: 338.400
  • Catalog: 5-Lipoxygenase
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 501.1±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 256.9±30.1 °C

Nelfinavir-d3

Nelfinavir-d3 (AG1341-d3) is the deuterium labeled Nelfinavir. Nelfinavir (AG-1341) is a potent and orally bioavailable HIV-1 protease inhibitor (Ki=2 nM) for HIV infection. Nelfinavir is a broad-spectrum, anticancer agent[1][2][3].

  • CAS Number: 1217629-70-3
  • MF: C32H45N3O4S
  • MW: 567.782
  • Catalog: HIV
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 786.8±60.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 429.7±32.9 °C

PSN-GK1

PSN-GK1 is a potent glucokinase activator with an EC50 of 0.13 μM.

  • CAS Number: 745051-61-0
  • MF: C20H23FN2O4S2
  • MW: 438.54
  • Catalog: Glucokinase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

GS-9256

GS-9256 is a selective HCV NS3 protease inhibitor. GS-9256 has good pharmacokinetic properties and antiviral activity[1].

  • CAS Number: 1001094-46-7
  • MF: C46H56ClF2N6O8PS
  • MW: 957.46100
  • Catalog: HCV Protease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Chetomin

Chetomin, an active component of Chaetomium globosum, is a heat shock protein 90/hypoxia-inducible factor 1 alpha (Hsp90/HIF1α) pathway inhibitor. Chetomin is a potent, nontoxic non-small cell lung cancer cancer stem cells (NSCLC CSC)-targeting molecule[1].

  • CAS Number: 1403-36-7
  • MF: C31H32N6O6S4
  • MW: 712.882
  • Catalog: Apoptosis
  • Density: 1.8±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: 710.9ºC
  • Flash Point: N/A

SHP394

SHP394 is an orally efficacious protein tyrosine phosphatase SHP2 inhibitor with an IC50 of 23 nM[1].

  • CAS Number: 2055757-40-7
  • MF: C20H25F3N6O2S
  • MW: 470.51
  • Catalog: Phosphatase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

DHODH-IN-14

DHODH-IN-14 (Compound 7l) is a hydroxyfurazan analog of A771726. DHODH-IN-14 is a dihydroorotate dehydrogenase (DHODH) inhibitor with an IC50 of 0.49 μM for rat liver DHODH. DHODH-IN-14 can be used for rheumatoid arthritis[1].

  • CAS Number: 1364791-93-4
  • MF: C15H7F4N3O3
  • MW: 353.23
  • Catalog: DNA/RNA Synthesis
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Olivetol-d9

Olivetol-d9 is the deuterium labeled Olivetol. Olivetol is a naturally phenol found in lichens and produced by certain insects, acting as a competitive inhibitor of the cannabinoid receptors CB1 and CB2[3]. Olivetol also inhibits CYP2C19 and CYP2D6 activi

  • CAS Number: 137125-92-9
  • MF: C11H7D9O2
  • MW: 189.29900
  • Catalog: Cannabinoid Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Ethyl 3,4-dihydroxybenzoate

Ethyl 3,4-dihydroxybenzoate (Ethyl protocatechuate), an antioxidant, is a prolyl-hydroxylase inhibitor found in the testa of peanut seeds. Ethyl 3,4-dihydroxybenzoate protects myocardium by activating NO synthase and generating mitochondrial ROS. Ethyl 3,4-dihydroxybenzoate induces cell autophagy and apoptosis in ESCC cells. Ethyl 3,4-dihydroxybenzoate is a collagen synthesis inhibitor and has a bone protecting-effect[1][2][3][4].

  • CAS Number: 3943-89-3
  • MF: C9H10O4
  • MW: 182.173
  • Catalog: Apoptosis
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 358.1±22.0 °C at 760 mmHg
  • Melting Point: 132-134 °C(lit.)
  • Flash Point: 147.0±15.8 °C

Novobiocin

Novobiocin (Albamycin) is a potent and orally active antibiotic. Novobiocin also is a DNA gyrase inhibitor and a heat shock protein 90 (Hsp90) antagonist. Novobiocin has the potential for the research of highly beta-lactam-resistant pneumococcal infections. Novobiocin shows anti-orthopoxvirus activity[1][2][3][4][6].

  • CAS Number: 303-81-1
  • MF: C31H36N2O11
  • MW: 612.624
  • Catalog: Bacterial
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 848.2±65.0 °C at 760 mmHg
  • Melting Point: 170-172°C (lit.)
  • Flash Point: 466.8±34.3 °C

gelatinase a

MMP-2/MMP-9-IN-1 is a highly selective, orally active and potent type IV collagenase (MMP-9 and MMP-2) inhibitor with IC50s of 0.24 and 0.31 μM for MMP-9 and MMP-2, respectively. MMP-2/MMP-9-IN-1 is orally active in animal models of tumor growth and metastasis. MMP-2/MMP-9-IN-1 can be used for the research of cancer[1].

  • CAS Number: 193807-58-8
  • MF: C21H19NO4S
  • MW: 381.445
  • Catalog: MMP
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 595.9±60.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 314.2±32.9 °C

MeDTC

MeDTC (S-Methyl-N,N-diethylthiocarbamate Sulfone), a Disulfiram metabolite, is a potent, irreversible aldehyde dehydrogenase (ALDH) inhibitor[1].

  • CAS Number: 155514-79-7
  • MF: C6H13NO3S
  • MW: 179.24
  • Catalog: Aldehyde Dehydrogenase (ALDH)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

ATX inhibitor 8

ATX inhibitor 8 is a Autotaxin (ATX) inhibitor extracted from patent WO2018212534A1 compound 96[1].

  • CAS Number: 2156656-37-8
  • MF: C28H26N10O
  • MW: 518.57
  • Catalog: Phosphodiesterase (PDE)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Saikogenin A

Saikogenin A, extracted from a Chinese herbal plant called Tsai-Fu, is a dipeptidyl peptidase-IV (DPP-IV) inhibitor.

  • CAS Number: 5092-09-1
  • MF: C30H48O4
  • MW: 472.700
  • Catalog: Dipeptidyl Peptidase
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 607.4±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 252.4±26.1 °C

Otaplimastat

Otaplimastat (SP-8203), a matrix metalloproteinase (MMP) inhibitor, blocks N-methyl-D-aspartate (NMDA) receptor-mediated excitotoxicity in a competitive manner. Otaplimastat also exhibits anti-oxidant activity. Otaplimastat can be used for the research of brain ischemic injury[1][2][3].

  • CAS Number: 1176758-04-5
  • MF: C28H34N6O5
  • MW: 534.607
  • Catalog: iGluR
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Atovaquone (4-chlorophenyl-2,3,5,6-d4)

Atovaquone (4-chlorophenyl-2,3,5,6-d4) is the deuterium labeled Atovaquone. Atovaquone is a potent, selective and orally active inhibitor of the parasite’s mitochondrial cytochrome bc1 complex. Atovaquone is against human and  P. falciparum cytochrome bc1 activity with IC50 values of 460 nM and 2.0 nM, respectively. Atovaquone is an antimalarial agent and has the potential for the investigation of neumocystis pneumonia, toxoplasmosis, malaria, and babesia[1][2].

  • CAS Number: 1163294-17-4
  • MF: C22H15D4ClO3
  • MW: 370.86
  • Catalog: Cytochrome P450
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Talabostat mesylate

Talabostat mesylate is a potent, nonselective and orally available dipeptidyl peptidase IV (DPP-IV) inhibitor with a Ki of 0.18 nM.

  • CAS Number: 150080-09-4
  • MF: C10H23BN2O6S
  • MW: 310.175
  • Catalog: Dipeptidyl Peptidase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

ethynylpyrene

1-Ethynylpyrene is an aryl acetylenic inhibitor of cytochromes P450 1A1, 1A2, and 2B1 with IC50s of 0.18, 0.32, and 0.04 μM, respectively[1].

  • CAS Number: 34993-56-1
  • MF: C18H10
  • MW: 226.272
  • Catalog: Cytochrome P450
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 410.6±14.0 °C at 760 mmHg
  • Melting Point: 113-115ºC
  • Flash Point: 194.9±14.2 °C

Isovaleryl-Phe-Nle-Sta-Ala-Sta-OH

SR 42128 is a potent renin inhibitor. SR 42128 potently inhibits primate renins whereas other animal renins are much less inhibited[1].

  • CAS Number: 98092-14-9
  • MF: C39H65N5O9
  • MW: 747.96100
  • Catalog: Renin
  • Density: 1.138±0.06 g/cm3 (20 °C, 760 mmHg)
  • Boiling Point: 1064.9±65.0 °C (760 mmHg)
  • Melting Point: N/A
  • Flash Point: N/A

Minocycline

Minocycline is an orally active, potent and BBB-penetrated semi-synthetic tetracycline antibiotic. Minocycline is a hypoxia-inducible factor (HIF)-1α inhibitor. Minocycline shows anti-cancer, anti-inflammatory, and glutamate antagonist effects. Minocycline reduces glutamate neurotransmission and shows neuroprotective properties and antidepressant effects. Minocycline inhibits bacterial protein synthesis through binding with the 30S subunit of the bacterial ribosome, resulting in a bacteriostatic effect[1][2][3][4][5][6][7].

  • CAS Number: 10118-90-8
  • MF: C23H27N3O7
  • MW: 457.476
  • Catalog: Bacterial
  • Density: 1.6±0.1 g/cm3
  • Boiling Point: 803.3±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 439.6±34.3 °C

DPM-1001

DPM-1001 is a potent, specific, orally bioavailable and non-competitive inhibitor of protein-tyrosine phosphatase (PTP1B) with an IC50 of 100 nM, an an analog of the specific PTP1B inhibitor trodusquemine (MSI-1436; IC50=600 nM). DPM-1001 has anti-diabetic property[1].

  • CAS Number: 1471172-27-6
  • MF: C35H57N3O3
  • MW: 567.85
  • Catalog: Phosphatase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Ongericimab

Ongericimab (JS002) is a humanized anti-PCSK9 monoclonal antibody. Ongericimab has lipid-lowering efficacy. Ongericimab can be used in research of hypercholesteremia and hyperlipidemia[1].

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

H-Ala-Ala-Pro-Val-chloromethylketone hydrochloride salt

Ala-Ala-Pro-Val-chloromethylketone is an irreversible human neutrophil elastase (NE) inhibitor for use in the study of chronic inflammatory airway diseases[1].

  • CAS Number: 90105-47-8
  • MF: C17H29ClN4O4
  • MW: 388.89000
  • Catalog: Elastase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

FKGK18

FKGK18 (FKGK18) is a potent, selective inhibitor of iPLA2 (group VIA Ca2+-independent phospholipase A2) with IC50 of 50 nM; displays 195 and >455 times more potent for GVIA iPLA(2) than for GIVA cPLA(2) and GV sPLA(2); inhibits Ca2+-independent PLA2 activity in a concentration-dependent manner, similar to S-BEL, which preferentially inhibits cytosol-associated iPLA2β; FKGK18 a valuable tool to explore the role of GVIA iPLA(2) in cells and in vivo models.

  • CAS Number: 1071001-09-6
  • MF: C16H15F3O
  • MW: 280.285
  • Catalog: Apoptosis
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 382.5±42.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 202.8±19.4 °C

TNO155

TNO155 is a potent selective and orally active allosteric inhibitor of wild-type SHP2 (IC50=0.011 µM). TNO155 has the potential for the study of RTK-dependent malignancies, especially advanced solid tumors[1].

  • CAS Number: 1801765-04-7
  • MF: C18H24ClN7OS
  • MW: 421.95
  • Catalog: Phosphatase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A