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
Antibody-drug Conjugate >
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Apoptosis >
Apoptosis Bcl-2 Family c-Myc Caspase DAPK Ferroptosis IAP MDM-2/p53 PKD RIP kinase Survivin Thymidylate Synthase TNF Receptor
Autophagy >
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Antifolate APC ATM/ATR Aurora Kinase Casein Kinase CDK Checkpoint Kinase (Chk) CRISPR/Cas9 Deubiquitinase DNA Alkylator/Crosslinker DNA-PK DNA/RNA Synthesis Eukaryotic Initiation Factor (eIF) G-quadruplex Haspin Kinase HDAC HSP IRE1 Kinesin LIM Kinase (LIMK) Microtubule/Tubulin Mps1 Nucleoside Antimetabolite/Analog p97 PAK PARP PERK Polo-like Kinase (PLK) PPAR RAD51 ROCK Sirtuin SRPK Telomerase TOPK Topoisomerase Wee1
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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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Protein Tyrosine Kinase/RTK >
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VD/VDR
Others >
Androgen Receptor Aromatase Estrogen Receptor/ERR Progesterone Receptor Thyroid Hormone Receptor Others

IDO1/TDO-IN-4

IDO1/TDO-IN-4 is a potent IDO1/TDO dual inhibitor, with IC50 values of 3.53 μM (IDO1) and 1.15 μM (TDO). IDO1/TDO-IN-4 forms hydrogen bond with IDO1, and π−π stacking interaction with TDO. IDO1/TDO-IN-4 can be used in the research of depression, and depression-induced infectious, metabolic, and autoimmune disorders[1].

  • CAS Number: 461424-21-5
  • MF: C14H10N4
  • MW: 234.26
  • Catalog: Indoleamine 2,3-Dioxygenase (IDO)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

BAY 678

BAY-678 is an orally bioavailable, highly potent, selective and cell-permeable inhibitor of human neutrophil elastase (HNE), with an IC50 of 20 nM. BAY-678 is also nominated as a chemical probe to the public via the Structural Genomics Consortium (SGC).

  • CAS Number: 675103-36-3
  • MF: C20H15F3N4O2
  • MW: 400.35
  • Catalog: Elastase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

1,1,1,2,2-Pentafluoro-7-phenyl-3-heptanone

FKGK11 is a potent and selective inhibitor of GVIA iPLA2 (Group VIA calcium-independent phospholipase A2). FKGK11 can be used for the research of ovarian cancer and neurological disorders such as peripheral nerve injury and multiple sclerosis[1][2].

  • CAS Number: 1071000-98-0
  • MF: C13H13F5O
  • MW: 280.234
  • Catalog: Phospholipase
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 288.9±40.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 110.7±21.5 °C

VP3.15

VP3.15 is a potent, orally bioavailable and CNS-penetrant dual phosphodiesterase (PDE)7- glycogen synthase kinase (GSK)3 inhibitor, with IC50s of 1.59 μM and 0.88 μM for PDE7 and GSK-3, respectively. VP3.15 has neuroprotective and neuroreparative activities, thus as potential combined anti-inflammatory and pro-remyelinating therapies for multiple sclerosis (MS)[1].

  • CAS Number: 1281681-54-6
  • MF: C20H22N4OS
  • MW: 366.48
  • Catalog: Phosphodiesterase (PDE)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Vaniprevir

Vaniprevir (MK-7009) is a non-covalent competitive inhibitor of the hepatitis C virus (HCV) NS3/4A protease.IC50 Value: Target: HCV NS3/4A Protease; HCVvaniprevir (MK-7009) is a macrocyclic hepatitis C virus NS3/4a protease inhibitor, is active against both the genotype 1 and genotype 2 NS3/4a protease enzymes. vaniprevir (MK-7009) has good plasma exposure and excellent liver exposure in multiple species.

  • CAS Number: 923590-37-8
  • MF: C38H55N5O9S
  • MW: 757.93600
  • Catalog: HCV
  • Density: 1.33g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Teslexivir hydrochloride

Teslexivir (BTA074) hydrochloride is a potent antiviral agent. Teslexivir hydrochloride is a potent and selective inhibitor of the interaction between two essential viral proteins, E1 and E2, an association that is a necessary step in the DNA replication and thus viral production for Human Papilloma Virus (HPV) 6 and 11. Teslexivir hydrochloride can be used for condyloma research[1].

  • CAS Number: 1075281-70-7
  • MF: C35H37BrClN3O4
  • MW: 679.04
  • Catalog: E1/E2/E3 Enzyme
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Linagliptin

Linagliptin is a highly potent, selective DPP-4 inhibitor with IC50 of 1 nM.

  • CAS Number: 668270-12-0
  • MF: C25H28N8O2
  • MW: 472.542
  • Catalog: Dipeptidyl Peptidase
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 661.2±65.0 °C at 760 mmHg
  • Melting Point: 202ºC
  • Flash Point: 353.7±34.3 °C

TM-1

TM-1 is a potent inhibitor of pyruvate dehydrogenase kinase (PDHK1). TM-1 inhibits PDHK1 and PDHK2 with IC50s of 2.97 μM and 5.2 μM, respectively. TM-1 blocks pyruvate dehydrogenase complex (PDHC) phosphorylation, and inhibits cell proliferation[1].

  • CAS Number: 921099-13-0
  • MF: C26H32N2O6
  • MW: 468.54
  • Catalog: PDHK
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

FITC-GW3965

FITC-GW3965 is a fluorescence-labelled liver X receptor β (LXRβ) agonist GW3965 (HY-10627). FITC-GW3965 is a tracer, that can be designed by replacing the trifluoromethyl of GW3965 with an amide to link the FITC. FITC-GW3965 can be used to study the function of LXRβ[1].

  • CAS Number: 2374144-23-5
  • MF: C59H56N4O9S
  • MW: 997.16
  • Catalog: LXR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

FCE 28654

FCE 28654 is a water soluble inhibitor of acylCoA: cholesterol acyltransferase (ACAT), weakly inhibiting ACAT in microsomes from rabbit aorta and intestine, and monkey liver, with IC50s of 2.55, 1.08 and 5.69 μM, respcetively.

  • CAS Number: 169474-77-5
  • MF: C25H35N2O7P
  • MW: 506.53
  • Catalog: Acyltransferase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

PSB 06126

PSB-06126 is a selective nucleoside triphosphate diphosphohydrolase (NTPDase) inhibitor, with the Ki values of 0.33 μM for rat NTPDase 1, 19.1 μM for NTPDase 2 and 2.22 μM for NTPDase 3, respectively. PSB-06126 acts on human NTPDase 3 with an IC50 value of 7.76 μM and a Ki value of 4.39 μM[1][2].

  • CAS Number: 1052089-16-3
  • MF: C24H15N2NaO5S
  • MW: 466.44100
  • Catalog: Phosphatase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Aristololactam IIIa

Aristololactam IIIa exhibits significant inhibitory effects on superoxide anion generation and elastase release with IC50 values of 0.12 and 0.20 μg/mL, respectively[1].

  • CAS Number: 97399-89-8
  • MF: C16H9NO4
  • MW: 279.25
  • Catalog: Elastase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Integrase-LEDGF/p75 allosteric inhibitor 1

Integrase-LEDGF/p75 allosteric inhibitor 1 (Compound 31h) is an orally active integrase-LEDGF/p75 (IN-LEDGF/p75) allosteric inhibitor. Integrase-LEDGF/p75 allosteric inhibitor 1 inhibits HIV-1 DNA integration and shows antiviral activity with an EC50 of 3.9 nM against HIV-1 recombinant molecular clone NL432[1].

  • CAS Number: 1431738-14-5
  • MF: C33H41NO6S
  • MW: 579.75
  • Catalog: HIV Integrase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

PS10

PS10 (PDK inhibitor PS10) is a novel potent and highly selective pyruvate dehydrogenase kinase (PDK) inhibitor; improved glucose tolerance, stimulates myocardial carbohydrate oxidation in diet-induced obesity; PS10 is a more suitable PDK inhibitor for treatment of diabetic cardiomyopathy.

  • CAS Number: 1564265-82-2
  • MF: C14H13NO6S
  • MW: 323.319
  • Catalog: PDHK
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Z-Leu-Leu-Leu-fluoromethyl ketone

Z-Leu-Leu-Leu-fluoromethyl ketone (Z-LLL-FMK) is a cysteine protease inhibitor. Z-Leu-Leu-Leu-fluoromethyl ketone inhibits SARS infection. Z-Leu-Leu-Leu-fluoromethyl ketone also protects mice against a T. crassiceps challenge[1][2].

  • CAS Number: 371167-61-2
  • MF: C27H42FN3O5
  • MW: 507.64
  • Catalog: SARS-CoV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Patomostat mesilate

Patamostat (E-3123) mesylate is a potent protease inhibitor. Patamostat mesylate potently inhibits trypsin, plasmin and thrombin with IC50s of 39 nM, 950 nM and 1.9 μM, respectively. Patamostat mesylate may possess suppressing effects on pathogenesis and development of acute pancreatitis[1][2].

  • CAS Number: 114568-32-0
  • MF: C21H24N4O7S2
  • MW: 508.56800
  • Catalog: Ser/Thr Protease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

SB-3CT

SB-3CT is a potent and competitive inhibitor of matrix metalloproteinase (MMP-2) and MMP-9.

  • CAS Number: 292605-14-2
  • MF: C15H14O3S2
  • MW: 306.400
  • Catalog: MMP
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 501.4±46.0 °C at 760 mmHg
  • Melting Point: 101 °C
  • Flash Point: 257.1±29.0 °C

PDE4-IN-4

PDE4-IN-4 is a dual M3 (pIC50 = 10.2) antagonist-PDE4 (pIC50 = 8.8) inhibitor for the inhaled treatment of pulmonary diseases.

  • CAS Number: 1793069-00-7
  • MF: C36H37Cl2N3O7S
  • MW: 726.67
  • Catalog: mAChR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

BI 653048 phosphate

An oral glucocorticoid agonist for the treatment of rheumatoid arthritis. Rheumatoid Arthritis Phase 1 Clinical

  • CAS Number: 1198784-97-2
  • MF: C23H28F4N3O8PS
  • MW: 613.517
  • Catalog: Glucocorticoid Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Imsamotide

Imsamotide (IDO194-214) is a Indoleamine 2,3-Dioxygenase (IDO) peptide with sequences of DTLLKALLEIASCLEKALQVF, the IDO194-214. Imsamotide is also an immunological agent for active immunization, as well as an antineoplastic agent[1][2].

  • CAS Number: 2130836-27-8
  • MF: C106H180N24O31S
  • MW: 2318.76
  • Catalog: Indoleamine 2,3-Dioxygenase (IDO)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

FTase-IN-1

FTase-IN-1 (compound 17a) is a potent and specific inhibitor of fanesyl transferase (FTase) with an IC50 of 0.35 μM. FTase-IN-1 displays cytotoxicity potential and antitumor activity[1].

  • CAS Number: 2490538-41-3
  • MF: C23H16N2O2S
  • MW: 384.45
  • Catalog: Farnesyl Transferase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Raltegravir sodium

Raltegravir (MK 0518) sodium is a potent and orally active integrase (IN) inhibitor, used to treat HIV infection.

  • CAS Number: 1292804-07-9
  • MF: C20H20FN6NaO5
  • MW: 466.40
  • Catalog: HIV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Galegenimab

Galegenimab (FHTR 2163; RG 6147; RO 7171009), an anti-High-temperature requirement A1 (HTRA1) antibody fragment. Galegenimab can be used for age-related macular degeneration (AMD) research[1].

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

(2S,3aR,7aS)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid,hydrochloride

Trandolapril (RU44570) hydrochloride is a nonsulfhydryl prodrug that is hydrolysed to the active diacid Trandolapril hydrochlorideat. Trandolapril hydrochloride is an orally active angiotensin converting enzyme (ACE) inhibitor that has been used in the treatment of hypertension and congestive heart failure (CHF), and after myocardial infarction (MI)[1].

  • CAS Number: 87725-72-2
  • 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

Dichlorphenamide disodium

Dichlorphenamide disodium is an orally active, specific, carbonic anhydrase inhibitor. Dichlorphenamide can reduce intraocular pressure by inhibiting the secretion of water from the eye. Dichlorphenamide can be used for glaucoma research[1].

  • CAS Number: 76382-13-3
  • MF: C6H6Cl2N2Na2O4S2
  • MW: 351.14
  • Catalog: Carbonic Anhydrase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Deltasonamide 2 (TFA)

Deltasonamide 2 TFA is a PDEδ inhibitor with a Kd of ~385 pM and an EC50 of 1.24 μM[1].

  • CAS Number: 2235358-74-2
  • MF: C32H40ClF3N6O6S2
  • MW: 761.27
  • Catalog: Phosphodiesterase (PDE)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

GNF362

GNF362 is a selective, potent, and orally bioavailable inhibitor of inositol trisphosphate 3’ kinase B (Itpkb) with an IC50 of 9 nM. GNF362 also inhibits Itpka and Itpkc with IC50 values of 20 nM and 19 nM, respectively. Inositol trisphosphate 3’ kinase B (Itpkb) is a Ca2+-dependent kinase, which phosphorylates the 3’ position of Ins (1,4,5) P3 to generate inositol 1,3,4,5-tetrakisphosphate [Ins (1,3,4,5) P4][1].

  • CAS Number: 1003019-41-7
  • MF: C22H21F3N6
  • MW: 426.44
  • Catalog: Phosphatase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

(E)-Dehydrodiconiferyl alcohol

(E)-Dehydrodiconiferyl alcohol behaves as good hCA IX and hCA XII dual inhibitors[1]. And (E)-Dehydrodiconiferyl alcohol suppresses the NF-κB nuclear translocation in connective tissue of healing area[2].

  • CAS Number: 528814-97-3
  • MF: C20H22O6
  • MW: 358.39
  • Catalog: Carbonic Anhydrase
  • Density: N/A
  • Boiling Point: 562.0±50.0 °C(Predicted)
  • Melting Point: 140 - 141 °C
  • Flash Point: N/A

α-NETA

α-NETA is a potent and noncompetitive choline acetyltransferase (ChA) inhibitor with an IC50 of 9 μM. α-NETA is a potent ALDH1A1 (IC50=0.04 µM) and chemokine-like receptor-1 (CMKLR1) antagonist. α-NETA weakly inhibits cholinesterase (ChE; IC50=84 µM) and acetylcholinesterase (AChE; IC50=300 µM). α-NETA has anti-cancer activity[1][2].

  • CAS Number: 115066-04-1
  • MF: C16H20INO
  • MW: 369.25
  • Catalog: Apoptosis
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

PDE4-IN-9

PDE4-IN-9 (Compound 5j) is a potent inhibitor of PDE4. PDE4-IN-9 exhibits lower IC50 value (1.4 μM) against PDE4 than parent rolipram (2.0 μM) in in vitro enzyme assay. PDE4-IN-9 also displays good in vivo activity in animal models of asthma/COPD and sepsis induced by LPS[1].

  • CAS Number: 2519450-32-7
  • MF: C15H12N4O3S
  • MW: 328.35
  • Catalog: Phosphodiesterase (PDE)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A