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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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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Pirmitegravir

Pirmitegravir is a potent and first-in-class inhibitor of allosteric integrase (ALLINI) that targets LEDGF/p75 binding site. Pirmitegravir displays picomolar IC50 in human PBMCs with a >24,000 therapeutic index against HIV-1. Pirmitegravir harbors outstanding anti-virus and safety properties[1].

  • CAS Number: 2245231-10-9
  • MF: C27H31ClN4O3
  • MW: 495.01
  • Catalog: HIV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

NLG802

NLG802 is a prodrug of indoximod, an orally active indoleamine 2,3-dioxygenase (IDO) inhibitor.

  • CAS Number: 2071683-99-1
  • MF: C20H30ClN3O3
  • MW: 395.92
  • Catalog: Indoleamine 2,3-Dioxygenase (IDO)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

AGN 205728

AGN 205728 is a potent and selective RARγ antagonist with Ki/IC95 values of 3 nM/ 0.6 nM; no inhibiton on RARα and RARβ.IC50 value: 3 nM/ 0.6 nM(Ki/IC95)Target: RARγ antagonistMore information can be found in the following patent, Compound 7a.Preparation of disubstituted chalcone oximes having RARγ retinoid receptor antagonist activityBy Tsang, Kwok Yin; Sinha, Santosh; Liu, Xiaoxia; Bhat, Smita; Chandraratna, Roshantha A.From PCT Int. Appl. (2005), WO 2005066115 A2 20050721.

  • CAS Number: 859498-05-8
  • MF: C29H27NO3
  • MW: 437.53000
  • Catalog: RAR/RXR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Decapeptide-12

Decapeptide-12, a small oligopeptide, is a tyrosinase inhibitor that interacts with C-terminal residue of tyrosinase (Kd: 61.1 μM). Decapeptide-12 is a competitive inhibitor of mushroom tyrosinase (IC50: 40 µM). Decapeptide-12 also increases transcription of SIRT. Decapeptide-12 reduces melanin content in melanocytes. Decapeptide-12 is used for the research of melanogenesis, senescence, inflammation [1][2][3].

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

Telaprevir (VX-950)

Telaprevir is a highly selective, reversible, and potent peptidomimetic inhibitor of the HCV NS3-4A protease, the steady-state inhibitory constant (Ki) of Telaprevir is 7 nM against a genotype 1 (H strain) NS3 protease domain plus a NS4A cofactor peptide.

  • CAS Number: 402957-28-2
  • MF: C36H53N7O6
  • MW: 679.849
  • Catalog: HCV
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Palmitic acid-1,2,3,4-13C4

Palmitic acid-1,2,3,4-13C4 is the 13C-labeled Palmitic acid. Palmitic acid is a long-chain saturated fatty acid commonly found in both animals and plants. Palmitic acid 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: 287100-89-4
  • MF: C1213C4H32O2
  • MW: 260.395
  • Catalog: HSP
  • Density: 0.9±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: 61-64 °C(lit.)
  • Flash Point: N/A

7-BIA

7-BIA is a receptor-type protein tyrosine phosphatase D (PTPRD) inhibitor with an IC50 of ~1-3 μM[1].

  • CAS Number: 1313403-49-4
  • MF: C15H18O6
  • MW: 294.30
  • Catalog: Phosphatase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Luffariellolide

Luffariellolide is an inhibitor of human synovial fluid phospholipase A2 (HSF-PLA2) (IC50=5 μM). Luffariellolide effectively inhibits phorbol ester (PMA)-induced ear edema (ED50=50 μg/ear)[1].

  • CAS Number: 111149-87-2
  • MF: C25H38O3
  • MW: 386.567
  • Catalog: Phospholipase
  • Density: 1.0±0.1 g/cm3
  • Boiling Point: 541.7±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 209.3±22.9 °C

7-Hydroxyneolamellarin A

7-Hydroxyneolamellarin A is a natural product that could be derived from sponge Dendrilla nigra. 7-Hydroxyneolamellarin A is a potent hypoxia-inducible factor-1α (HIF-1α) inhibitor. 7-Hydroxyneolamellarin A attenuates the accumulation of hypoxia-inducible factor-1α (HIF-1α) protein and inhibits vascular epidermal growth factor (VEGF) transcriptional activity. 7-Hydroxyneolamellarin A can be used in research of cancer[1].

  • CAS Number: 959662-26-1
  • MF: C24H19NO5
  • MW: 401.41
  • Catalog: HIF/HIF Prolyl-Hydroxylase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Debio-0932

Debio 0932 is an orally active HSP90 inhibitor, with IC50s of 100 and 103 nM for HSP90α and HSP90β, respectively.

  • CAS Number: 1061318-81-7
  • MF: C22H30N6O2S
  • MW: 442.578
  • Catalog: HSP
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 654.8±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 349.8±34.3 °C

GSK 2830371

GSK 2830371 is a highly selective Wip1 phosphatase inhibitor with IC50 of 6 nM.

  • CAS Number: 1404456-53-6
  • MF: C23H29ClN4O2S
  • MW: 461.020
  • Catalog: Phosphatase
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 704.1±60.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 379.7±32.9 °C

RISARESTAT

Risarestat (CT-112), an aldose reductase inhibitor, is developed for the treatment of diabetic complications.

  • CAS Number: 79714-31-1
  • MF: C16H21NO4S
  • MW: 323.40700
  • Catalog: Aldose Reductase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Lovastatin-d3

Lovastatin-d3 is deuterium labeled Lovastatin. Lovastatin is a cell-permeable HMG-CoA reductase inhibitor used to lower cholesterol.

  • CAS Number: 1002345-93-8
  • MF: C24H33D3O5
  • MW: 407.56
  • Catalog: Ferroptosis
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Izilendustat hydrochloride

Izilendustat (hydrochloride) is a potent inhibitor of prolyl hydroxylase which stabilizes hypoxia inducible factor- 1 alpha (HIF- lα), as well as hypoxia inducible factor-2 (HIF-2). Izilendustat (hydrochloride) has the potential for the research of HIF- lα related diseases including Peripheral Vascular Disease (PVD), Coronary Artery Disease (CAD), heart failure, ischemia, anemia, colitis, and other inflammatory bowel diseases (extracted from patent WO2011057115A1/WO2011057112A1/WO2011057121A1)[1][2][3].

  • CAS Number: 1303513-80-5
  • MF: C22H29Cl2N3O4
  • MW: 470.39
  • Catalog: HIF/HIF Prolyl-Hydroxylase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Arcapillin

Arcapillin is a flavonoid that can be isolated from Artemisia capillaris Thunb. Arcapillin has antispasmodic activity. Arcapillin also has moderate PTP1B inhibitory activity[1][2].

  • CAS Number: 83162-82-7
  • MF: C18H16O8
  • MW: 360.31500
  • Catalog: Phosphatase
  • Density: 1.461g/cm3
  • Boiling Point: 634.7ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 233.3ºC

Ezatiostat (hydrochloride)

Ezatiostat hydrochloride is a glutathione analog inhibitor of glutathione S-transferase P1-1 (GSTP1-1).

  • CAS Number: 286942-97-0
  • MF: C27H36ClN3O6S
  • MW: 566.109
  • Catalog: Gutathione S-transferase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Pep 2-8

Pep2-8 is a proprotein convertase subtilisin/kexin type 9 (PCSK9) inhibitor, with an IC50 of 0.8 μM for PCSK9 binding to LDL receptor.

  • CAS Number: 1541011-97-5
  • MF: C83H110N16O24
  • MW: 1715.85
  • Catalog: Ser/Thr Protease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

MDL 12330A hydrochloride

MDL12330A (RMI12330A) is an adenyl cyclase inhibitor. MDL12330A inhibits the vasopressin action on the short-circuit current (SCC). MDL12330A is also an inhibitor of cAMP phosphodiesterase[1].

  • CAS Number: 40297-09-4
  • MF: C23H37ClN2
  • MW: 377.01
  • Catalog: Adenylate Cyclase
  • Density: N/A
  • Boiling Point: 515ºC at 760 mmHg
  • Melting Point: 148 - 152 °C
  • Flash Point: 265.2ºC

Izumerogant

Izumerogant is an inverse agonist of retinoid-related orphan receptor-gamma (RORγ). Izumerogant (compound 123) also potently inhibits IL-17A, IL-17F and IFN-γ activity with IC50s <50 nM[1][2].

  • CAS Number: 2299252-72-3
  • MF: C22H18ClF4N5O2
  • MW: 495.86
  • Catalog: ROR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Metolazone

Metolazone(Zaroxolyn) is primarily used to treat congestive heart failure and high blood pressure.Target: OthersMetolazone is a thiazide-like diuretic marketed under the brand names Zytanix from Zydus Cadila, Zaroxolyn, and Mykrox. It is primarily used to treat congestive heart failure and high blood pressure. Metolazone indirectly decreases the amount of water reabsorbed into the bloodstream by the kidney, so that blood volume decreases and urine volume increases. This lowers blood pressure and prevents excess fluid accumulation in heart failure. Metolazone is sometimes used together with loop diuretics such as furosemide or bumetanide, but these highly effective combinations can lead to dehydration and electrolyte abnormalities.Metolazone and the other thiazide diuretics inhibit the function of the sodium-chloride symporter, preventing sodium and chloride, and therefore water too, from leaving the lumen to enter the tubule cell. As a result, water remains in the lumen and is excreted as urine, instead of being reabsorbed into the bloodstream. Since most of the sodium in the lumen has already been reabsorbed by the time the filtrate reaches the distal convoluted tubule, thiazide diuretics have limited effects on water balance and on electrolyte levels. Nevertheless, they can be associated with low sodium levels, volume depletion, and low blood pressure, among other adverse effects.

  • CAS Number: 17560-51-9
  • MF: C16H16ClN3O3S
  • MW: 365.835
  • Catalog: Thrombin
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 613.6±65.0 °C at 760 mmHg
  • Melting Point: 252-254°C
  • Flash Point: 324.9±34.3 °C

Protizinic acid

Protizinic acid is an orally active non-steroidal antiinflammatory agent with antiinflammatory and antipyretic activity. Protizinic acid inhibits phospholipase A2 (PLA2) activity, and the IC50 value is 210 μM[1][2].

  • CAS Number: 13799-03-6
  • MF: C17H17NO3S
  • MW: 315.39
  • Catalog: Phospholipase
  • Density: 1.285g/cm3
  • Boiling Point: 524.6ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 271.1ºC

BI8622

BI8622 is a specific inhibitor of the ubiquitin ligase HUWE1 with an IC50 of 3.1 μM[1].

  • CAS Number: 1875036-74-0
  • MF: C25H26N6O
  • MW: 426.51
  • Catalog: E1/E2/E3 Enzyme
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Zofenopril-d5

Zofenopril is an angiotensin-converting enzyme (ACE) inhibitor with an IC50 of 81 μM.

  • CAS Number: 81872-10-8
  • MF: C22H23NO4S2
  • MW: 429.552
  • Catalog: Angiotensin-converting Enzyme (ACE)
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 646.3±55.0 °C at 760 mmHg
  • Melting Point: 129-131.5ºC(lit.)
  • Flash Point: 344.7±31.5 °C

Zonisamide-d4

Zonisamide-d4 (AD 810-d4) is the deuterium labeled Zonisamide. Zonisamide (AD 810) is an inhibitor of zinc enzyme carbonic anhydrase (CA), with Kis of 35.2 nM and 20.6 nM for human mitochondrial isozyme hCA II and hCA V, respectively. Zonisamide has antiepileptic activity. Zonisamide can be used for the rsearch for epilepsy, seizures and Parkinson's disease[1][2].

  • CAS Number: 1020720-04-0
  • MF: C8H4D4N2O3S
  • MW: 216.25000
  • Catalog: Calcium Channel
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

MMP2-IN-3

MMP2-IN-3 (compound 2) is a potent MMP-2 (matrix metalloproteinases) inhibitor, with an IC50 of 31 μM. MMP2-IN-3 also shows inhibitory activity against MMP-9 and MMP-8, with IC50 values of 26.6, and 32 μM, respectively[1].

  • CAS Number: 897799-81-4
  • MF: C23H21N3O
  • MW: 355.43
  • Catalog: MMP
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

LB-100

LB-100 is a protein phosphatase 2A (PP2A) inhibitor, with IC50 of 0.85 μM and 3.87 μM in BxPc-3 and Panc-1 cells.

  • CAS Number: 1632032-53-1
  • MF: C13H20N2O4
  • MW: 268.309
  • Catalog: Phosphatase
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 486.9±45.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 248.3±28.7 °C

Ethacrynic acid sodium

Ethacrynic acid (Etacrynic acid sodium) sodium is a diuretic. Ethacrynic acid sodium is an inhibitor of glutathione S-transferases (GSTs). Ethacrynic acid sodium is a potent inhibitor of NF-kB-signaling pathway, and also modulates leukotriene formation. Ethacrynic acid sodium also inhibits L-type voltage-dependent and store-operated calcium channel, leading to relaxation of airway smooth muscle (ASM) cells. Ethacrynic acid sodium has anti-inflammatory properties that reduces the retinoid-induced ear edema in mice[1][2][3][4].

  • CAS Number: 6500-81-8
  • MF: C13H11Cl2NaO4
  • MW: 325.12
  • Catalog: Calcium Channel
  • Density: N/A
  • Boiling Point: 480ºC at 760 mmHg
  • Melting Point: 121-122ºC
  • Flash Point: 244.1ºC

16-Hydroxycleroda-3,13-dien-15,16-olide

16-Hydroxycleroda-3,13-dien-15,16-olide (16ξ-Hydroxycleroda-3,13-dien-15,16-olide; HCD), a clerodane diterpene, is a potent serine protease dipeptidyl peptidase 4 (DPP-4) inhibitor. 16-Hydroxycleroda-3,13-dien-15,16-olide down-regulates LPS-induced ERK phosphorylation in myocyte but blocks GLP-1 induced PKA expression. 16-Hydroxycleroda-3,13-dien-15,16-olide exhibits hypolipidemic, hepatoprotective, hypoglycemic efficacy[1].

  • CAS Number: 141979-19-3
  • MF: C20H30O3
  • MW: 318.45
  • Catalog: Dipeptidyl Peptidase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

HIV-1 integrase inhibitor

HIV-1 integrase inhibitor ((Z)-4-(3-(azidomethyl)phenyl)-2-hydroxy-4-oxobut-2-enoic acid) is uesful for anti-HIV.

  • CAS Number: 544467-07-4
  • MF: C11H9N3O4
  • MW: 247.20700
  • Catalog: HIV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

PF-06747711

PF-06747711 is a potent, selective, and orally active retinoic acid receptor-related orphan C2 (RORC2, also known as RORγt) inverse agonist, with an IC50 of 4.1 nM. Anti-skin inflammatory activity[1].

  • CAS Number: 1892576-58-7
  • MF: C26H26F3N5O2
  • MW: 497.51
  • Catalog: ROR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A