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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Antibody-drug Conjugate >
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Apoptosis >
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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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Fenofibrate

Fenofibrate is a PPARα agonist with an EC50 of 30 μM.

  • CAS Number: 49562-28-9
  • MF: C20H21ClO4
  • MW: 360.831
  • Catalog: Autophagy
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 469.8±35.0 °C at 760 mmHg
  • Melting Point: 80-81ºC
  • Flash Point: 165.4±24.9 °C

Cemdomespib

Cemdomespib (KU-596) is a highly bioavailable second-generation Hsp90 modulator. Cemdomespib has shown efficacy in improving sensory deficits in models of diabetic peripheral neuropathy. Cemdomespib induces Hsp70 levels and manifest neuroprotective activity through induction of the heat shock response[1][2][3].

  • CAS Number: 1450642-92-8
  • MF: C24H30FNO6
  • MW: 447.50
  • Catalog: HSP
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

HCVP-IN-1

HCVP-IN-1 (compound 1) is a hepatitis C viral polymerase (HCVP) inhibitor[1].

  • CAS Number: 877225-09-7
  • MF: C30H34FN5O3
  • MW: 531.62100
  • Catalog: HCV Protease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Validamycin

Validamycin A is an aminoglycoside agricultural antibiotic. Validamycin A inhibits the growth of A. flavus, with a MIC of 1 μg/mL[1]. Validamycin A is a reversible tyrosinase inhibitor, with a Ki of 5.893 mM[2].

  • CAS Number: 37248-47-8
  • MF: C20H35NO13
  • MW: 497.491
  • Catalog: Fungal
  • Density: 1.7±0.1 g/cm3
  • Boiling Point: 813.7±65.0 °C at 760 mmHg
  • Melting Point: 130-135ºC
  • Flash Point: 445.9±34.3 °C

JNJ-61803534

JNJ-61803534 is a potent and orally active RORγt inverse agonist with an IC50 of 9.6  nM. JNJ-61803534 has anti-inflammatory activity. JNJ-61803534 inhibits IL-17A production in human CD4+ T cells under Th17 differentiation conditions[1].

  • CAS Number: 1917306-14-9
  • MF: C23H23Cl2F6N3O4S
  • MW: 622.41
  • Catalog: ROR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

CKI-7 HCl

CKI-7 is a potent and ATP-competitive casein kinase 1 (CK1) inhibitor with an IC50 of 6 μM and a Ki of 8.5 μM. CKI-7 is a selective Cdc7 kinase inhibitor. CKI-7 also inhibits SGK, ribosomal S6 kinase-1 (S6K1) and mitogen- and stress-activated protein kinase-1 (MSK1). CKI-7 has a much weaker effect on casein kinase II and other protein kinases[1][2][3][4].

  • CAS Number: 1177141-67-1
  • MF: C11H14Cl3N3O2S
  • MW: 358.67200
  • Catalog: Casein Kinase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

delapril hcl

Delapril is an angiotensin-converting enzyme (ACE) inhibitor for the treatment of cardiovascular diseases[1].

  • CAS Number: 83435-67-0
  • MF: C26H33ClN2O5
  • MW: 489.004
  • Catalog: Angiotensin-converting Enzyme (ACE)
  • Density: N/A
  • Boiling Point: 659.7ºC at 760 mmHg
  • Melting Point: 169ºC
  • Flash Point: 352.7ºC

BMS-962212

BMS-962212 is a direct, reversible, selective factor XIa (FXIa) inhibitor . BMS-962212 is well tolerated, with fast onset of pharmacodynamic (PD) responses and rapid elimination. BMS-962212 increases exposure dependently in activated partial thromboplastin time, and decreases exposure dependently in FXI clotting activity[1].

  • CAS Number: 1430114-34-3
  • MF: C32H28ClFN8O5
  • MW: 659.07
  • Catalog: Factor Xa
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Calpain Inhibitor I

MG-101 is a potent inhibitor of cysteine proteases which inhibits calpain I, calpain II, cathepsin B and cathepsin L with Kis of 190, 220, 150 and 500 pM, respectively.

  • CAS Number: 110044-82-1
  • MF: C20H37N3O4
  • MW: 383.526
  • Catalog: Proteasome
  • Density: 1.0±0.1 g/cm3
  • Boiling Point: 632.2±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 192.9±30.3 °C

3,3′-Bisdemethylpinoresinol

3,3′-Bisdemethylpinoresinol, lignin, is a nature product and has MMP-1 inhibitory activity in UVA-irradiated human dermal fibroblasts. 3,3′-Bisdemethylpinoresinol can be isolated from the seeds of Morinda citrifolia[1].

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

Incyclinide

Incyclinide (CMT-3, COL-3) is a matrix metalloproteinase (MMP) inhibitor, thereby inducing extracellular matrix degradation, and inhibiting angiogenesis, tumor growth and invasion, and metastasis.

  • CAS Number: 15866-90-7
  • MF: C19H17NO7
  • MW: 371.34100
  • Catalog: MMP
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Vasicinol

Vasicinol is a reversible inhibitor of sucrase (IC50: 250 μM). Vasicinol is a HbF inducer. Vasicinol also inhibits Angiotensin-converting Enzyme (ACE). Vasicinol is apyrroquinazoline alkaloid that can be isolated from Adhatoda vasica[1][2].

  • CAS Number: 5081-51-6
  • MF: C11H12N2O2
  • MW: 204.23
  • Catalog: Angiotensin-converting Enzyme (ACE)
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 465.0±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 235.1±31.5 °C

PAT-505

PAT-505 is a potent, selective, noncompetitive and orally available autotaxin inhibitor, with an IC50 of 2 nM in Hep3B cells, 9.7 nM in human blood and 62 nM in mouse plasma.

  • CAS Number: 1782070-22-7
  • MF: C23H18ClF2N3O2S
  • MW: 473.92
  • Catalog: Phosphodiesterase (PDE)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

ATRA-biotin

ATRA-biotin (Biotin-ATRA-conjugate) is a biotin-conjugated ATRA. ATRA-biotin can be used to track ATRA in cells or a given tissue[1].

  • CAS Number: 2226143-93-5
  • MF: C36H55N3O4S
  • MW: 625.90
  • Catalog: Autophagy
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

HS80

HS-80 is an enantiomer of Fasnall, which is a selective fatty acid synthase (FASN) inhibitor. HS-80 is able to inhibit the incorporation of tritiated acetate into lipids with an IC50 of 7.13 μM.

  • CAS Number: 2138838-57-8
  • MF: C19H22N4S
  • MW: 338.47
  • Catalog: Fatty Acid Synthase (FAS)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

MLN4924

MLN4924 is a potent and selective NEDD8-activating enzyme (NAE) inhibitor with an IC50 of 4.7 nM.

  • CAS Number: 905579-51-3
  • MF: C21H25N5O4S
  • MW: 443.519
  • Catalog: NEDD8-activating Enzyme
  • Density: 1.6±0.1 g/cm3
  • Boiling Point: 721.0±70.0 °C at 760 mmHg
  • Melting Point: 161-163°C
  • Flash Point: 389.9±35.7 °C

Deoxycorticosterone acetate

Deoxycorticosterone acetate is a steroid hormone produced by the adrenal gland that possesses mineralocorticoid activity and acts as a precursor to aldosterone.

  • CAS Number: 56-47-3
  • MF: C23H32O4
  • MW: 372.498
  • Catalog: Mineralocorticoid Receptor
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 504.1±50.0 °C at 760 mmHg
  • Melting Point: 157°C
  • Flash Point: 218.0±30.2 °C

Alismanol M

Alismanol M is a farnesoid X receptor (FXR) agonist with an EC50 value of 50.25 μM. Alismanol M is a protostane-type triterpenoid that can be isolated from the rhizome of Alisma orientale. Alismanol M can be used for the research of cholestasis and nonalcoholic steatohepatitis[1].

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

L 731,735

L-731735 is a selective FPTase inhibitor that can inhibit ras-dependent cell transformation. L-731735 can be used in cancer research[1].

  • CAS Number: 149756-20-7
  • MF: C19H40N4O4S
  • MW: 420.61000
  • Catalog: Farnesyl Transferase
  • Density: 1.113g/cm3
  • Boiling Point: 662.6ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 354.5ºC

2,3,4'-Trihydroxy-3',5'-dimethoxypropiophene

2,3,4'-Trihydroxy-3',5'-dimethoxypropiophenone, isolated from Parinari hypochrysea (Chrysobalanaceae), exhibits antioxidant and lipoxygenase inhibition[1].

  • CAS Number: 33900-74-2
  • MF: C11H14O6
  • MW: 242.225
  • Catalog: 5-Lipoxygenase
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 490.8±45.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 193.6±22.2 °C

EMD638683 (R-Form)

EMD638683 R-Form is the R-form of EMD638683. EMD638683 is a highly selective SGK1 inhibitor with IC50 of 3 μM.

  • CAS Number: 1184940-47-3
  • MF: C18H18F2N2O4
  • MW: 364.34300
  • Catalog: SGK
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

YG1702

YG1702 is a potent ALDH18A1-specific inhibitor. YG1702 attenuates the growth of MYCN-amplified NB and down-regulates MYCN. YG1702 physically interacts with ALDH18A1 with a high affinity and might potentially affect its enzymatic activity[1].

  • CAS Number: 724737-08-0
  • MF: C23H30N2O7S
  • MW: 478.56
  • Catalog: Aldehyde Dehydrogenase (ALDH)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Otamixaban

Otamixaban(FXV673) is a potent (Ki = 0.5 nM), selective, rapid acting, competitive and reversible fXa inhibitor that effectively inhibits both free and prothrombinase-bound fXa.IC50 value:Target: Factor Xa Otamixaban is a potent (Ki = 0.5 nM), selective, rapid acting, competitive and reversible fXa inhibitor that effectively inhibits both free and prothrombinase-bound fXa. In vivo experiments have demonstrated that Otamixaban is highly efficacious in rodent, canine and porcine models of thrombosis. In addition, recent clinical findings indicate that Otamixaban is efficacious, safe and well tolerated in humans and therefore has considerable potential for the treatment of acute coronary syndrome. This review article chronicles the discovery and pre-clinical data surrounding the fXa inhibitor Otamixaban as well as the recent clinical findings in humans.

  • CAS Number: 193153-04-7
  • MF: C25H26N4O4
  • MW: 446.498
  • Catalog: Factor Xa
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

HIRUDIN LEECH, RECOMBINANT

Hirudin is a Thrombin inhibitor with blood anticoagulant property. Hirudin has potent anti-thrombotic, wound repair, anti-fibrosis, anti-tumor and anti-hyperuricemia effects. Hirudin also affects diabetic complications, cerebral hemorrhage, and others[1].

  • CAS Number: 8001-27-2
  • MF: C287H440N80O110S6
  • MW: 7027
  • Catalog: Apoptosis
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

(R)-MLN-4760

(R)-MLN-4760, the R-enantiomer of MLN-4760, is an ACE2 inhibitor, with an IC50 of 8.4 μM. (R)-MLN-4760 is the less active isomer[1].

  • CAS Number: 305335-29-9
  • MF: C19H23Cl2N3O4
  • MW: 428.31
  • Catalog: Angiotensin-converting Enzyme (ACE)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

PD 151746

PD151746 is a calpain inhibitor, shows a 20-fold selectivity for u-calpain (Ki = 0.26 ± 0.03 μM) over m-calpain (Ki = 5.33 ± 0.77 μM).IC50 value: 0.26 ± 0.03 μM (Ki, for μ-calpain), 5.33 ± 0.77 μM (Ki, for m-calpain) [1]Target: calpainin vitro: The μ-calpain inhibitor PD 151746 decreases oxLDL-induced cytotoxicity. [2]

  • CAS Number: 179461-52-0
  • MF: C11H8FNO2S
  • MW: 237.25000
  • Catalog: Proteasome
  • Density: 1.525±0.06 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Sulthiame-d4

Sulthiame-d4 is the deuterium labeled Sultiame. Sultiame is a carbonic anhydrase inhibitor, widely used as an antiepileptic agent[1][2].

  • CAS Number: 1795021-05-4
  • MF: C10H10D4N2O4S2
  • MW: 294.38
  • Catalog: Carbonic Anhydrase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Xanthatin

Xanthatin is isolated from Xanthium strumarium leaves. Xanthatin exhibits strong antitumor activities against a variety of cancer cells through apoptosis persuasion and shows anti-inflammatory activities by inhibiting PGE2 synthesis and 5-lipoxygenase activity[1]. Xanthatin is a potent and orally active inhibitor of VEGFR2 kinase activity with an IC50 of 3.8 μM and prominently blocks the phosphorylation of VEGFR2 at Tyr951 site. Xanthatin inhibits angiogenesis and has the potential for the investigation of breast cancer[2].

  • CAS Number: 26791-73-1
  • MF: C15H18O3
  • MW: 246.302
  • Catalog: Bacterial
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 444.3±45.0 °C at 760 mmHg
  • Melting Point: 114.5-115°
  • Flash Point: 199.1±28.8 °C

Pravastatin Lactone

Pravastatin lactone is a potent HMG-CoA inhibitor. Pravastatin Lactone is a metabolite of pravastatin. Pravastatin lactone reduces blood cholesterol levels by inhibiting cholesterol synthesis[1].

  • CAS Number: 85956-22-5
  • MF: C23H34O6
  • MW: 406.51
  • Catalog: HMG-CoA Reductase (HMGCR)
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 590.5±50.0 °C at 760 mmHg
  • Melting Point: 140-143ºC
  • Flash Point: 199.5±23.6 °C

Sildenafil citrate

Sildenafil citrate is a potent phosphodiesterase type 5 (PDE5) inhibitor with IC50 of 5.22 nM.

  • CAS Number: 171599-83-0
  • MF: C28H38N6O11S
  • MW: 666.700
  • Catalog: Autophagy
  • Density: 1.447g/cm3
  • Boiling Point: 672.4ºC at 760 mmHg
  • Melting Point: 187-189ºC
  • Flash Point: 360.5ºC