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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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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Ocedurenone

Ocedurenone is a corticosteroid receptor antagonist. Ocedurenone can be used for the research of kidney disease (WO2018054357, compound I)[1].

  • CAS Number: 1359969-24-6
  • MF: C28H30ClN5O2
  • MW: 504.02
  • Catalog: Mineralocorticoid Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Aclarubicin

Aclacinomycin A (Aclarubicin) is an orally active and potent anthracycline antitumor antibiotic. Aclacinomycin A is an inhibitor of topoisomerase I and II. Aclacinomycin A inhibits synthesis of nucleic acid, especially RNA. Aclacinomycin A might inhibit the 26S protease complex as well as the ubiquitin-ATP-dependent proteolysis[1][2][3].

  • CAS Number: 57576-44-0
  • MF: C42H53NO15
  • MW: 811.86800
  • Catalog: DNA/RNA Synthesis
  • Density: 1.42 g/cm3
  • Boiling Point: 897.7ºC at 760 mmHg
  • Melting Point: 151-153ºC
  • Flash Point: 496.7ºC

biochanin A

Biochanin A is a naturally occurring fatty acid amide hydrolase (FAAH) inhibitor, which inhibits FAAH with IC50s of 1.8, 1.4 and 2.4 μM for mouse, rat, and human FAAH, respectively.

  • CAS Number: 491-80-5
  • MF: C16H12O5
  • MW: 284.263
  • Catalog: FAAH
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 518.6±50.0 °C at 760 mmHg
  • Melting Point: 210-213 °C(lit.)
  • Flash Point: 198.3±23.6 °C

fenvalerate

Fenvalerate is a potent protein phosphatase 2B (calcineurin) inhibitor with an IC50 of 2-4 nM for PP2B-Aα. Fenvalerate is a pyrethroid ester insecticide and acaricide[1].

  • CAS Number: 51630-58-1
  • MF: C25H22ClNO3
  • MW: 419.900
  • Catalog: Bacterial
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 538.9±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 279.7±30.1 °C

PF-04620110

PF-04620110 is an orally active, selective and potent diglyceride acyltransferase-1 (DGAT1) inhibitor with IC50 of 19 nM.IC50 value: 19 nM [1]Target: DGAT1PF-04620110 and imipramine (internal standard) were separated using a Hypersil Gold C18 column, with a mixture of acetonitrile and 10 mm ammonium formate (90:10, v/v) as the mobile phase. The ion transitions monitored in positive-ion mode [M + H](+) of multiple-reaction monitoring were m/z 397.0 -260.2 for PF-04620110 and m/z 280.8 - 86.0 for imipramine. The detector response was specific and linear for PF-04620110 at concentrations within the range 0.05-50 μg/mL and the signal-to-noise ratios for the samples were ≥10 [2].

  • CAS Number: 1109276-89-2
  • MF: C21H24N4O4
  • MW: 396.440
  • Catalog: Acyltransferase
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 701.9±60.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 378.3±32.9 °C

β-Tocopherol

β-Tocopherol is an analogue of vitamin E, exhibits antioxidant properties. β-Tocopherol can inhibit tyrosinase activity and melanin synthesis. β-Tocopherol also can prevent the inhibition of cell growth and of PKC activity caused by d-alpha-tocopherol[1][2][3].

  • CAS Number: 16698-35-4
  • MF: C28H48O2
  • MW: 416.68000
  • Catalog: Tyrosinase
  • Density: 0.933g/cm3
  • Boiling Point: 516.267°C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 204.683°C

ML-030

ML-030 is a potent PDE4 inhibitor, with IC50 of 6.7 nM, 12.9 nM, 48.2 nM, 37.2 nM, 452 nM and 49.2 nM for PDE4A, PDE4A1, PDE4B1, PDE4B2, PDE4C1,and PDE4D2, respectively.

  • CAS Number: 1013750-77-0
  • MF: C20H20N4O4S
  • MW: 412.462
  • Catalog: Phosphodiesterase (PDE)
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 633.2±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 336.7±34.3 °C

(-)-Talarozole

(-)-Talarozole is a potent inhibitor of retinoic acid metabolism extracted from patent WO 1997049704 A1.

  • CAS Number: 201410-67-5
  • MF: C21H23N5S
  • MW: 377.51
  • Catalog: RAR/RXR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

lipiferolide

Lipiferolide is an antiplasmodial agent (IC50: 1.8 μg/mL) that can be isolated from Liriodendron tulipifera. Lipiferolide also inhibits FPTase, and has antitumor activity[1][2].

  • CAS Number: 41059-80-7
  • MF: C17H22O5
  • MW: 306.35
  • Catalog: Farnesyl Transferase
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 444.8±45.0 °C at 760 mmHg
  • Melting Point: 118-119 °C
  • Flash Point: 196.3±28.8 °C

Chalepensin

Chalepensin, a furanocoumarin, is a competitive CYP2A6 inhibitor. Chalepensin also inhibits human CYP1A1, CYP1A2, CYP2A13, CYP2C9, CYP2D6, CYP2E1, and CYP3A4 to different extents[1].

  • CAS Number: 13164-03-9
  • MF: C16H14O3
  • MW: 254.28100
  • Catalog: Cytochrome P450
  • Density: 1.211g/cm3
  • Boiling Point: 390.5ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 190ºC

Homo Sildenafil-d5

Homo Sildenafil-d5 is the deuterium labeled Homo Sildenafil. Homo Sildenafil, an analog of Sildenafil, acts as a phosphodiesterase inhibitor[1][2].

  • CAS Number: 1216711-61-3
  • MF: C23H27D5N6O4S
  • MW: 493.63
  • Catalog: Phosphodiesterase (PDE)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

KAR-5585

Rodatristat ethyl (KAR5585) is an orally active tryptophan hydroxylase 1 (TPH1) inhibitor with nanomolar in vitro potency. Rodatristat ethyl reduces the level of 5-HT and significantly reduces pulmonary arterial hypertension (PAH)[1][2].

  • CAS Number: 1673571-51-1
  • MF: C29H31ClF3N5O3
  • MW: 590.04
  • Catalog: Tryptophan Hydroxylase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Stigmasterol glucoside

Stigmasterol glucoside is a sterol isolated from P. urinaria with high antioxidant and anti-inflammatory activities[1], act as an inhibitor of 5α-reductase with an IC50 of 27.2 µM[2].

  • CAS Number: 19716-26-8
  • MF: C35H58O6
  • MW: 574.831
  • Catalog: 5 alpha Reductase
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 673.6±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 361.2±31.5 °C

C12 NBD-SPHINGOMYELIN

C12 NBD sphingomyelin is an active derivative of sphingomyelin (HY-113498) that is tagged with fluorescent C12 nitrobenzoxadiazole (C12 NBD). C12 NBD sphingomyelin can be used as a sphingomyelinase substrate for studying the metabolism and transport of sphingomyelins (Ex=470 nm, Em=525 nm)[1].

  • CAS Number: 254117-01-6
  • MF: C41H73N6O9P
  • MW: 825.027
  • Catalog: Phospholipase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Tectol

Tectol, isolated from Lippia sidoides, exhibits significant activity against human leukemia cell lines HL60 and CEM[1]. Tectol is a farnesyltransferase (FTase) inhibitor with IC50s of 2.09 and 1.73 μM for human and T. brucei FTase. Tectol inhibits drug-resistant strain of P. falciparum (FcB1) with an IC50 of 3.44 μM[1][2].

  • CAS Number: 24449-39-6
  • MF: C30H26O4
  • MW: 450.52500
  • Catalog: Farnesyl Transferase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

chymostatin

Chymostatin is a potent cathepsin G inhibitor. Chymostatin inhibits fungal growth when combined with other pepsin inhibitors. Chymostatin can be used for acute lung injury and pancreatitis research[1].

  • CAS Number: 9076-44-2
  • MF: C31H41N7O6
  • MW: 607.701
  • Catalog: Cathepsin
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: 276-278℃
  • Flash Point: N/A

AZD-1656

AZD1656 is a potent, selective and orally active glucokinase activator with an EC50 of 60 nM. AZD1656 has the potential for type 2 diabetes research[1][2][3].

  • CAS Number: 919783-22-5
  • MF: C24H26N6O5
  • MW: 478.500
  • Catalog: Glucokinase
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 635.0±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 337.8±31.5 °C

CDK2-IN-12

CDK2-IN-12 (compound 10b) is a potent CDK2 inhibitor, with an IC50 of 11.6 μM. CDK2-IN-12 inhibits hCA (carbonic anhydrase) isoforms I, II, IX and XII, with KI values of 3534, 638.4, 44.3, and 48.8 nM. CDK2-IN-12 shows anticancer activity[1].

  • CAS Number: 2410402-88-7
  • MF: C20H17N9O2S
  • MW: 447.47
  • Catalog: CDK
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Tauro-β-muricholic acid

Tauro-β-muricholic acid (TβMCA) is a trihydroxylated bile acid. Tauro-β-muricholic acid is a competitive and reversible FXR antagonist (IC50 = 40 μM). Tauro-β-muricholic acid has antiapoptotic effect. Tauro-β-muricholic acid inhibits bile acid-induced hepatocellular apoptosis by maintaining the mitochondrial membrane potential[1][2].

  • CAS Number: 25696-60-0
  • MF: C26H45NO7S
  • MW: 515.70300
  • Catalog: Apoptosis
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Macamide B

N-Benzylpalmitamide is a macamide isolated from Lepidium meyenii, acts as an inhibitor of fatty acid amide hydrolase (FAAH).

  • CAS Number: 74058-71-2
  • MF: C23H39NO
  • MW: 345.56200
  • Catalog: FAAH
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: 95-96℃
  • Flash Point: N/A

DHODH-IN-9

DHODH-IN-9 (Compound 10k) is an azine-bearing analogue and is a human dihydroorotate dehydrogenase inhibitor. DHODH-IN-9 has antiviral effect with a pMIC50 of 7.4[1].

  • CAS Number: 1644156-41-1
  • MF: C21H23FN4O
  • MW: 366.43
  • Catalog: Influenza Virus
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Enalkiren

Enalkiren (A-64662) is a potent dipeptide renin inhibitor with an IC50 of 0.78 nM in a purified renal renin-angiotensinogen system (pH=6.0). Enalkiren suppresses renin activity, and also reduces systolic and diastolic blood pressure. Enalkiren can be used to research essential hypertension[1][2].

  • CAS Number: 113082-98-7
  • MF: C35H56N6O6
  • MW: 656.85600
  • Catalog: Renin
  • Density: 1.172g/cm3
  • Boiling Point: 986.3ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 550.3ºC

licopyranocoumarin

Licopyranocoumarin is an isoflavonoid that shows CYP3A4 inhibitory activity with an IC50 of 32 μM. Licopyranocoumarin has potent neuroprotective activities[1].

  • CAS Number: 117038-80-9
  • MF: C21H20O7
  • MW: 384.37900
  • Catalog: Cytochrome P450
  • Density: 1.397g/cm3
  • Boiling Point: 675.3ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 242.9ºC

hCAIX-IN-3

hCAII-IN-3 (compound 7e) is a potent and selective inhibitor of carbonic anhydrase (CA II/IX) with Kis of 124.2 and 30.5 nM, respectively. hCAII-IN-3 has the potential for the research of cancer diseases[1].

  • CAS Number: 2375461-31-5
  • MF: C21H21BrN6O4S
  • MW: 533.40
  • Catalog: Carbonic Anhydrase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

HIF-2α-IN-7

HIF-2α-IN-7 is a hypoxia inducible factor 2α (HIF-2α) inhibitor. HIF-2α-IN-7 can inhibit HIF-2α with an EC50 value of 6nM. HIF-2α-IN-7 can be used for the research of various types of diseases including cancer, liver disease, inflammatory disease, pulmonary diseases and iron load disorders[1].

  • CAS Number: 2511247-29-1
  • MF: C18H9F6NO2
  • MW: 385.26
  • Catalog: HIF/HIF Prolyl-Hydroxylase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Cathepsin K inhibitor 3

Cathepsin K inhibitor 3 (compound 23) is a highly selective cathepsin K inhibitor with an IC50 value of 0.5 nM. Cathepsin K inhibitor 3 has a favorable pharmacokinetic profile and may be used in osteoarthritis (OA) disease studies[1].

  • CAS Number: 1694638-70-4
  • MF: C30H31FN4O4S
  • MW: 562.65
  • Catalog: Cathepsin
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Dabigatran (ethyl ester)

ethyl ester of Dabigatran, which is an emerging oral anticoagulant which is a direct inhibitor of thrombin activity. IC50 value:Target: thrombinDabigatran provides a stable anticoagulation effect without any need to perform periodical laboratory controls. Of note, there is a growing amount of clinical evidence which shows its safety and efficacy. For these reasons, Dabigatran may suppose a revolution in oral anticoagulation. Dabigatran etexilate was rapidly converted to Dabigatran, with peak plasma dabigatran concentrations being attained after approximately 1.5 h; the bioavailability of Dabigatran after p.o. administration of Dabigatran etexilate was 7.2%.

  • CAS Number: 429658-95-7
  • MF: C27H29N7O3
  • MW: 499.564
  • Catalog: Thrombin
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 759.5±70.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 413.1±35.7 °C

Mirodenafil

Mirodenafil(SK3530) is a phosphodiesterase type 5 (PDE-5) inhibitor developed for the treatment of erectile dysfunction.Target: PDE5Mirodenafil is a newly developed oral phosphodiesterase type 5 inhibitor. Mirodenafil, in doses of 50 or 100 mg, significantly improved erectile function and were well tolerated in a representative population of Korean men with broad-spectrum ED of various etiologies and severities [1]. The concurrent administration of mirodenafil with alcohol was not associated with clinically significant hemodynamic changes in these healthy male volunteers in Korea. The pharmacoki-netics of mirodenafil were not significantly altered by this concurrent administration. Mirodenafil administered with alcohol had a tolerability profile comparable to that of mirodenafil alone [2]. In these healthy Korean male volunteers, the coadministration of ketoconazole and rifampicin resulted in significant changes in systemic exposure to mirodenafil [3].

  • CAS Number: 862189-95-5
  • MF: C26H37N5O5S
  • MW: 531.667
  • Catalog: Phosphodiesterase (PDE)
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 730.4±70.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 395.6±35.7 °C

omapatrilat

Omapatrilat is a dual inhibitor of the metalloproteases ACE and NEP with Ki values of 0.64 and 0.45 nM, respectively.

  • CAS Number: 167305-00-2
  • MF: C19H24N2O4S2
  • MW: 408.535
  • Catalog: Angiotensin-converting Enzyme (ACE)
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 724.2±60.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 391.8±32.9 °C

CAY10581

CAY10581, a pyranonaphthoquinone derivative, is a highly specific and reversible uncompetitive IDO Inhibitor with an IC50 of 55 nM[1][2].

  • CAS Number: 1018340-07-2
  • MF: C22H21NO4
  • MW: 363.406
  • Catalog: Indoleamine 2,3-Dioxygenase (IDO)
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 548.8±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 285.7±30.1 °C