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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PF-06446846

PF-06446846 (PF-6446846) is a potent, highly selective inhibitor of PCSK9 translation with IC50 of 0.3 uM for inhibition the secretion of PCSK9 by Huh7 cells; shows no general effect on the secreted and intracellular proteome; induces the ribosome to stall around codon 34, mediated by the sequence of the nascent chain within the exit tunnel; reduces plasma PCSK9 and total cholesterol levels in rats following oral dosing.

  • CAS Number: 1632250-49-7
  • MF: C22H20ClN7O
  • MW: 433.9
  • Catalog: Ser/Thr Protease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

PU24FCl

PU24FCl is a specific inhibitor of Hsp90. PU24FCl exhibits wide-ranging anti-cancer activities. PU24FCl accumulates in tumors while being rapidly cleared from normal tissue[1].

  • CAS Number: 422508-46-1
  • MF: C20H21ClFN5O3
  • MW: 433.86400
  • Catalog: HSP
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Phosphodiesterase

Phosphodiesterase (PDE) is an enzyme that can catalyze the hydrolysis of the 3' ring phosphate bond of cyclic nucleotides, and is often used in biochemical research. Phosphodiesterase acts as an important regulator of signal transduction mediated by the second messenger molecules cAMP and cGMP. According to their specificity to cyclic nucleotides, they can also be divided into different types, such as PDE1-PDE11, which also have certain potential in various diseases[1].

  • CAS Number: 9025-82-5
  • MF:
  • MW:
  • Catalog: Phosphodiesterase (PDE)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

AG-120

Ivosidenib (AG-120) is a mutant isocitrate dehydrogenase 1 (IDH1) inhibitor with an IC50 of 12 nM for mouse IDH1R132H.

  • CAS Number: 1448347-49-6
  • MF: C28H22ClF3N6O3
  • MW: 582.961
  • Catalog: Isocitrate Dehydrogenase (IDH)
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 854.3±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 470.4±34.3 °C

AEBSF HCl

AEBSF is an irreversible inhibitor of serine proteases, such as chymotrypsin, kallikrein, plasmin, thrombin, and trypsin.

  • CAS Number: 30827-99-7
  • MF: C8H11ClFNO2S
  • MW: 239.695
  • Catalog: Thrombin
  • Density: N/A
  • Boiling Point: 292.5ºC at 760 mmHg
  • Melting Point: 175-177 °C
  • Flash Point: 130.7ºC

IDH1 Inhibitor 3

IDH1 Inhibitor 3 (compound 6f) is a mutant isocitric dehydrogenase 1 (IDH1) inhibitor, with an IC50 of 45 nM for IDH1R132H[1].

  • CAS Number: 2171081-24-4
  • MF: C31H25F4N5O3
  • MW: 591.56
  • Catalog: Isocitrate Dehydrogenase (IDH)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

CAY10499

MAGL-IN-5 is a non-selective lipase inhibitor with IC50 values of 144, 90, and 14 nM for human recombinant monoacylglycerol lipase(MAGL),hormone sensitive lipase(HSL), and fatty acid amide hydrolase(FAAH) respectively[1][2].

  • CAS Number: 359714-55-9
  • MF: C18H17N3O5
  • MW: 355.345
  • Catalog: FAAH
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Acetazolamide D3

Acetazolamide D3 is deuterium labeled Acetazolamide, which is a potent carbonic anhydrase (CA) inhibitor.

  • CAS Number: 1189904-01-5
  • MF: C4H3D3N4O3S2
  • MW: 225.26400
  • Catalog: Carbonic Anhydrase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Baicalein 6-O-glucoside

Baicalein 6-O-glucoside is a glucuronidation metabolite of Baicalein[1].

  • CAS Number: 28279-72-3
  • MF: C21H20O10
  • MW: 432.37800
  • Catalog: Xanthine Oxidase
  • Density: 1.642±0.06 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

CP 73850

Zopolrestat (CP73850) is a potent, orally active aldose reductase (AR) inhibitor with an IC50 of 3.1 nM. Zopolrestat is used for the research of diabetic complications[1].

  • CAS Number: 110703-94-1
  • MF: C19H12F3N3O3S
  • MW: 419.37700
  • Catalog: Aldose Reductase
  • Density: 1.58g/cm3
  • Boiling Point: 598.7ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 315.9ºC

Dafadine-A

Dafadine-A, an analog of dafadine, is a novel inhibitor of DAF-9 cytochrome P450 in the nematode Caenorhabditis elegans; also inhibits the mammalian ortholog of DAF-9(CYP27A1). IC50 value:Target: DAF-9(CYP27A1) inhibitorThe DAF-9 cytochrome P450 is a key regulator of dauer formation, developmental timing and longevity in the nematodeCaenorhabditis elegans. Here we describe the first identified chemical inhibitor of DAF-9 and the first reported small-molecule tool that robustly induces dauer formation in typical culture conditions. This molecule (called dafadine) also inhibits the mammalian ortholog of DAF-9(CYP27A1), suggesting that dafadine can be used to interrogate developmental control and longevity in other animals.

  • CAS Number: 1065506-69-5
  • MF: C23H25N3O3
  • MW: 391.463
  • Catalog: Cytochrome P450
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 600.3±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 316.9±31.5 °C

DPP-4-IN-1

DPP-4-IN-1 (compound d1) is a potent DPP-4 (dipeptidyl peptidase 4) inhibitor, with an IC50of 49 nM. DPP-4-IN-1 is a structurally analogs of Alogliptin (HY-A0023A). DPP-4-IN-1 can be used for diabetes research[1].

  • CAS Number: 2215027-46-4
  • MF: C19H19ClN6
  • MW: 366.85
  • Catalog: Dipeptidyl Peptidase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Leucylarginylproline

Leucylarginylproline is an angiotensin-converting enzyme (ACE) inhibitor with an IC50 of 0.27μM.

  • CAS Number: 133943-59-6
  • MF: C17H32N6O4
  • MW: 384.47400
  • Catalog: Peptides
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Boc-Gln-Ala-Arg-pNA hydrochloride salt

Boc-QAR-pNA is a chromogenic substrate of trypsin. Boc-QAR-pNA can be used to test trypsin activity[1][2].

  • CAS Number: 1926163-47-4
  • MF: C25H39N9O8
  • MW: 593.63
  • Catalog: Ser/Thr Protease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Epalrestat

Epalrestat is an aldose reductase inhibitor for the treatment of diabetic neuropathy.Target: Aldose ReductaseEpalrestat may affect or delay progression of the underlying disease process. Data from six clinical trials were evaluated, and it was determined that epalrestat 50 mg 3 times/day may improve motor and sensory nerve conduction velocity and subjective neuropathy symptoms as compared with baseline and placebo. Epalrestat may serve as a new therapeutic option to prevent or slow the progression of diabetic neuropathy [1]. Epalrestat significantly increased the amplitude of 3 cpm waves on EGG and improved the spectral analytical parameters of heart rate variability. These findings suggest that epalrestat is useful for the treatment of diabetic gastroparesis [2]. Epalrestat is a highly effective and safe agent for the treatment of diabetic neuropathy [3].

  • CAS Number: 82159-09-9
  • MF: C15H13NO3S2
  • MW: 319.399
  • Catalog: Aldose Reductase
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 516.8±60.0 °C at 760 mmHg
  • Melting Point: 210-217ºC
  • Flash Point: 266.4±32.9 °C

Methyclothiazide

Methyclothiazide is an orally active antihypertensive agent and a diuretic agent. Methyclothiazide leads to a reduction of the vascular response to the action of endogenous vasoconstricting stimuli, such as Norepinephrine (HY-13715). Methyclothiazide is against voltage-dependent Ca-channel (VDCC) activity in vitro[1][2][3].

  • CAS Number: 135-07-9
  • MF: C9H11Cl2N3O4S2
  • MW: 360.237
  • Catalog: Carbonic Anhydrase
  • Density: 1.6±0.1 g/cm3
  • Boiling Point: 597.9±60.0 °C at 760 mmHg
  • Melting Point: 223-225ºC
  • Flash Point: 315.4±32.9 °C

BAR502

BAR502 is a dual FXR and GPBAR1 agonist with IC50 values of 2 μM and 0.4 μM, respectively.

  • CAS Number: 1612191-86-2
  • MF: C25H44O3
  • MW: 392.623
  • Catalog: GPCR19
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

ND-646

ND-646 is an orally bioavailable and steric inhibitor of acetyl-CoA carboxylase (ACC) with IC50s of 3.5 nM and 4.1 nM for recombinant hACC1 and hACC2, respectively.

  • CAS Number: 1434639-57-2
  • MF: C28H32N4O7S
  • MW: 568.64
  • Catalog: Acetyl-CoA Carboxylase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

ALDH1A3-IN-2

ALDH1A3-IN-2 (Compound 15) is a potent inhibitor of ALDH1A3 with an IC50 of 1.29 μM. Aldehyde dehydrogenases (ALDHs) are overexpressed in various tumor types including prostate cancer. ALDH1A3-IN-2 has the potential for the research of cancer diseases[1].

  • CAS Number: 886502-08-5
  • MF: C13H17NO
  • MW: 203.28
  • Catalog: Aldehyde Dehydrogenase (ALDH)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

HTS01037

HTS01037 is an inhibitor of fatty acid binding; and a competitive antagonist of protein-protein interactions mediated by AFABP/aP2 with a Ki of 0.67 μM.

  • CAS Number: 682741-29-3
  • MF: C14H11NO5S2
  • MW: 337.371
  • Catalog: FABP
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 621.2±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 329.5±31.5 °C

Opiorphin trifluoroacetate salt

Opiorphin, an opioid peptide, is a potent enkephalin-inactivating zinc ectopeptidases in human inhibitor. Opiorphin inhibits two enkephalin-catabolizing ectoenzymes, human neutral ecto-endopeptidase, hNEP (EC 3.4.24.11) with an IC50 value of 11 μM, and human ecto-aminopeptidase, hAP-N (EC 3.4.11.2). Opiorphin displays potent analgesic activity by activating endogenous opioid-dependent transmission[1][2].

  • CAS Number: 864084-88-8
  • MF: C29H48N12O8
  • MW: 692.76700
  • Catalog: Neprilysin
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

ATX inhibitor 19

ATX inhibitor 19 (compound 22) is a potent ATX (autotaxin) inhibitor, with an IC50 of 156 nM[1].

  • CAS Number: 2691937-01-4
  • MF: C28H33ClN6O2S
  • MW: 553.12
  • Catalog: Phosphodiesterase (PDE)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Dutasteride

Dutasteride (GG745) is a potent inhibitor of both 5 alpha-reductase isozymes. Dutasteride may possess off-target effects on the androgen receptor (AR) due to its structural similarity to DHT.IC50 Value:Target: 5 alpha-reductasein vitro: Dutasteride inhibited (3)H-T conversion to (3)H-DHT and, as anticipated, inhibited T-induced secretion of PSA and proliferation. However the drug also inhibited DHT-induced PSA secretion and cell proliferation (IC(50) approximately 1 microM). Dutasteride competed for binding the LNCaP cell AR with an IC(50) approximately 1.5 microM. High concentrations of dutasteride (10-50 microM), but not finasteride, in steroid-free medium, resulted in enhanced cell death, possibly by apoptosis [1]. Dutasteride reduces cell viability and cell proliferation in both cell lines tested (androgen-responsive (LNCaP) and androgen-unresponsive (DU145) human prostate cancer (PCa)) [2].in vivo: GG745 has a terminal half-life of approximately 240 hr, and single doses of >10 mg decreased DHT levels significantly more than did single 5-mg doses of finasteride [3]. In placebo treated men without prostate cancer there was an 8.3% median increase in PSA at month 24 compared with -59.5% in those who received dutasteride, using doubled values to correct for dutasteride treatment [4].Toxicity: Dutasteride may affect male fertility and steroid hormone dynamics. Therefore, a 21-day reproduction study was conducted to determine the effects of dutasteride (10, 32 and 100 μg/L) on fish reproduction. Exposure to dutasteride significantly reduced fecundity of fish and affected several aspects of reproductive endocrine functions in both males and females [5].Clinical trial: Bioequivalence Study Of Dutasteride Five 0.1 mg And One 0.5 mg Soft Gelatin Capsules In Healthy Male Volunteers. Phase 1

  • CAS Number: 164656-23-9
  • MF: C27H30F6N2O2
  • MW: 528.530
  • Catalog: 5 alpha Reductase
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 620.3±55.0 °C at 760 mmHg
  • Melting Point: 242-250ºC
  • Flash Point: 329.0±31.5 °C

PTP1B-IN-2

PTP1B-IN-2 is a potent protein tyrosine phosphatase 1B (PTP1B) inhibitor with an IC50 of 50 nM.

  • CAS Number: 1919853-46-5
  • MF: C34H36N2O9S2
  • MW: 680.79
  • Catalog: Phosphatase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Elemicin

Elemicin is a alkenylbenzene widely distributed in many herbs and spices. Elemicin inhibits Stearoyl-CoA Desaturase 1 (SCD1) by metabolic activation. Elemicin is one of the main components in aromatic food and has antimicrobial, antioxidant, and antiviral activities. Elemicin possesses genotoxicity and carcinogenicity[1].

  • CAS Number: 487-11-6
  • MF: C12H16O3
  • MW: 208.25400
  • Catalog: Stearoyl-CoA Desaturase (SCD)
  • Density: 1.011 g/cm3
  • Boiling Point: 279.8ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 92.6ºC

Fenretinide

Fenretinide is a synthetic retinoid deriverative, binding to the retinoic acid receptors (RAR) at concentrations necessary to induce cell death.

  • CAS Number: 65646-68-6
  • MF: C26H33NO2
  • MW: 391.546
  • Catalog: Autophagy
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 597.6±42.0 °C at 760 mmHg
  • Melting Point: 162-163°C
  • Flash Point: 315.2±27.9 °C

Zaprinast

Zaprinast (M&B 22948) is an inhibitor of cGMP-selective Phosphodiesterases(PDEs)[1]. Zaprinast is a G protein-coupled receptor (GPR) 35 agonist which activates rat GPR35 strongly and activates human GPR35 moderately[2]. Zaprinast reduces vessel remodeling through antiproliferative and proapoptotic effects[3].

  • CAS Number: 37762-06-4
  • MF: C13H13N5O2
  • MW: 271.275
  • Catalog: CXCR
  • Density: 1.484g/cm3
  • Boiling Point: 406.3±47.0 °C at 760 mmHg
  • Melting Point: 237-238ºC dec.
  • Flash Point: 199.5±29.3 °C

GSK 2837808A

GSK2837808A is a potent and selective lactate dehydrogenase A (LDHA) inhibitor with IC50s of 1.9 and 14 nM for LDHA and LDHB, respectively.

  • CAS Number: 1445879-21-9
  • MF: C31H25F2N5O7S
  • MW: 649.621
  • Catalog: Lactate Dehydrogenase
  • Density: 1.6±0.1 g/cm3
  • Boiling Point: 783.5±70.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 427.6±35.7 °C

Rbin-2

Rbin-2 is a potent, reversible and selective inhibitor of Midasin (Mdn1), an enzyme belonging to the AAA+ (ATPases associated with diverse cellular activities) protein family. Rbin-2 inhibits eukaryotic ribosome biogenesis and is a powerful probe for the eukaryotic ribosome assembly[1].

  • CAS Number: 2032282-97-4
  • MF: C13H11BrN4S
  • MW: 335.22
  • Catalog: Phosphatase
  • Density: 1.6±0.1 g/cm3
  • Boiling Point: 524.3±60.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 270.9±32.9 °C

Trandolaprilate D5

Trandolaprilate D5 is a deuterium labeled Trandolaprilate (Trandolaprilat). Trandolaprilate is an angiotensin-converting enzyme (ACE) inhibitor[1].

  • CAS Number: 1356841-27-4
  • MF: C22H25D5N2O5
  • MW: 402.484
  • Catalog: Angiotensin-converting Enzyme (ACE)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A