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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Garcinone B

Garcinone B, a xanthone derivative, is a nature product that could be isolated from the pericarp of Mangosteen. Garcinone B is a potent ACE2 and Mpro inhibitor. Garcinone B can be used in research of COVID-19[1].

  • CAS Number: 76996-28-6
  • MF: C23H22O6
  • MW: 394.42
  • Catalog: SARS-CoV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Irsogladine

Irsogladine is a PDE4 inhibitor and muscarinic acetylcholine receptor binder.Target: PDE4; mACHRIrsogladine treatment (300 and 500 mg/kg/day) resulted in a dose-dependent reduction of angiogenesis in wild-type mice by 21 and 45.3% (P < 0.02, P < 0.001), in tPA-deficient mice by 42.6 and 46% (P < 0.001, P < 0.001), and in uPA-deficient mice by 27.2 and 46% (P < 0.05, p < 0.001), respectively. Irsogladine inhibits bFGF-induced angiogenesis in wild-type, tPA-knockout, and uPA-knockout mice [1]. Irsogladine up-regulates GJIC between PC cells via regulation of the PKA pathway. It also suggests a useful adjuvant of Irsogladine to pancreatic cancer therapy [2]. irsogladine produces the increase of intracellular cAMP content via non-selective inhibition of PDE isozymes, which may be a key mechanism involved in its gastroprotective actions [3].

  • CAS Number: 57381-26-7
  • MF: C9H7Cl2N5
  • MW: 256.091
  • Catalog: mAChR
  • Density: 1.6±0.1 g/cm3
  • Boiling Point: 552.2±60.0 °C at 760 mmHg
  • Melting Point: 268-269°C
  • Flash Point: 287.8±32.9 °C

Sp-cAMPS sodium salt

Sp-cAMPS sodium salt, a cAMP analog, is potent activator of cAMP-dependent PKA I 和 PKA II. Sp-cAMPS sodium salt is also a potent, competitive phosphodiesterase (PDE3A) inhibitor with a Ki of 47.6 µM. Sp-cAMPS sodium salt binds the PDE10 GAF domain with an EC50 of 40 μM[1][2][3].

  • CAS Number: 142439-95-0
  • MF: C10H11N5NaO5PS
  • MW: 367.253
  • Catalog: Phosphodiesterase (PDE)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Frunexian

Frunexian (EP-7041) is a selective and potent inhibitor of coagulation factor XI/activated factor XI, targeting to factor XIa. Frunexian exhibits antithrombotic activity, with no bleeding liability in rat mesenteric arterial puncture model. Frunexian can be used in extracorporeal membrane oxygenation (ECMO) research[1].

  • CAS Number: 1803270-60-1
  • MF: C19H26N4O4
  • MW: 374.43
  • Catalog: Factor Xa
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Bopindolol Malonate

Bopindolol ((±)-Bopindolol) malonate is an orally active antagonist of β-adrenoceptors (ARs) with partial agonist activity. Bopindolol malonate is non-selective for β1- and β2-ARs and has low affinity for β3-AR subtype. Bopindolol malonate has intrinsic sympathomimetic as well as membrane stabilizing actions, inhibits renin secretion, and interacts with 5-HT receptors. Bopindolol malonate is a prodrug of Pindolol (HY-B0982). Bopindolol malonate can be used for essential and renovascular hypertension research[1][2][3][4].

  • CAS Number: 82857-38-3
  • MF: C23H28N2O3
  • MW: 380.48000
  • Catalog: 5-HT Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

PF-06471553

PF-06471553 is a potent, selective and orally available monoacylglycerol acyltransferase 3 (MGAT3) inhibitor, with an IC50 of 92 nM.

  • CAS Number: 1808094-07-6
  • MF: C23H25N5O4S
  • MW: 467.54
  • Catalog: Acyltransferase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Sephin-1

(E/Z)-Icerguastat ((E/Z)-Sephin1) is a selective inhibitor of the phosphatase regulatory subunit PPP1R15A (R15A). (E/Z)-Icerguastat can be used for protein misfolding diseases research[1].

  • CAS Number: 13098-73-2
  • MF: C8H9ClN4
  • MW: 196.63700
  • Catalog: Phosphatase
  • Density: 1.35g/cm3
  • Boiling Point: 374.2ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 180.1ºC

AGN194204

AGN194204 (IRX4204) is an orally active and selective RXR agonist with Kd values 0.4 nM, 3.6 nM and 3.8 nM and EC50s of 0.2 nM, 0.8 nM and 0.08 nM for RXRα, RXRβ and RXRγ, respectively. AGN194204 is inactive against RAR. AGN194204 has anti-inflammatory and anticarcinogenic actions[1][2].

  • CAS Number: 220619-73-8
  • MF: C24H32O2
  • MW: 352.51000
  • Catalog: Apoptosis
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

beta-Amyrin acetate

β-Amyrin acetate is a triterpenoid with potent anti-inflammatory, antifungal, anti-diabetic, anti-hyperlipidemic activities. β-Amyrin acetate can inhibit HMG-CoA reductase activity by locating in the hydrophobic binding cleft of HMG CoA reductase[1][2][3][4].

  • CAS Number: 1616-93-9
  • MF: C32H52O2
  • MW: 468.754
  • Catalog: Fungal
  • Density: 1.0±0.1 g/cm3
  • Boiling Point: 505.1±49.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 256.2±17.4 °C

h-NTPDase-IN-4

h-NTPDase-IN-4 (compound 4c) is a pan-inhibitor of NTPDase with IC50s of 3.58 μM (h-NTPDase1), 10.21 μM (h-NTPDase2), 0.13 μM (h-NTPDase3), 13.57 μM (h- NTPDase8).

  • CAS Number: 2939933-09-0
  • MF: C22H8F12N2S
  • MW: 560.36
  • Catalog: Phosphatase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

BK-1361(cyclo(RLsKDK))

BK-1361(BK1361, cyclo-RLsKDK) is a cyclic peptide with RLsKDK (s=D-serine) that functions as a potent, selective inhibitor of ADAM8 with IC50 of 120 nM; displays no significant activity against ADAM 9, 10, 12, 17 , as well as MMP-2, -9, and -14 at 10 uM; inhibit shedding of CD23 with IC50 of 182 nM in cell-based shedding assays, reduces migration/invasion of pancreatic cancer cells and less ERK1/2 and MMP activation, causes change in cell morphology; decreases tumour burden and metastasis of implanted pancreatic tumour cells and provides improved metrics of clinical symptoms and survival in Kras(G12D)-driven mouse model of PDAC.

  • CAS Number: 1975145-82-4
  • MF: C31H57N11O9
  • MW: 727.865
  • Catalog: MMP
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Mufemilast

Mufemilast is a phosphodiesterase 4 (PDE4) inhibitor[1].

  • CAS Number: 1255909-03-5
  • MF: C20H22N2O7S2
  • MW: 466.53
  • Catalog: Phosphodiesterase (PDE)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

E-64

E-64 is a potent irreversible inhibitor against general cysteine proteases with IC50 of 9 nM for papain.

  • CAS Number: 66701-25-5
  • MF: C15H27N5O5
  • MW: 357.405
  • Catalog: Autophagy
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: 182ºC
  • Flash Point: N/A

(Rac)-Tanomastat

(Rac)-Tanomastat ((Rac)-BAY 12-9566) is the racemate of Tanomastat. Tanomastat (BAY 12-9566) is an orally bioavailable, non-peptidic biphenyl matrix metalloproteinases (MMPs) inhibitor with a Zn-binding carboxyl group. The Ki values are 11, 143, 301, and 1470 nM for MMP-2, MMP-3, MMP-9, MMP-13 respectively. Tanomastat shows anti-invasive and antimetastatic activity in several experimental tumor models[1][2][3].

  • CAS Number: 179545-76-7
  • MF: C23H19ClO3S
  • MW: 410.91
  • Catalog: MMP
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Sch59498

Sch59498 is a potent inhibitor of phosphodiesterase 1c (Pde1c).

  • CAS Number: 224157-99-7
  • MF: C17H25N5O
  • MW: 315.41
  • Catalog: Phosphodiesterase (PDE)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

CYP1B1-IN-4

CYP1B1-IN-4 is a 2,4-diarylthiazole compound with selectively CYP1B1 inhibition (IC50=0.2 nM). CYP1B1-IN-4 has little cytotoxicity and high stability in both human and rat liver microsomes[1].

  • CAS Number: 2685779-55-7
  • MF: C18H14N2O2S
  • MW: 322.38
  • Catalog: Cytochrome P450
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Oltipraz

Oltipraz has an inhibitory effect on HIF-1α activation by insulin in a time-dependent manner, completely abrogating HIF-1α induction at ≥10 μM concentrations, the IC50 of Oltipraz for HIF-1α inhibition is 10 μM.IC50 value: 10 μMTarget: HIF-1αin vitro: Oltipraz inhibits HIF-1α activity and HIF-1α-dependent tumor growth, which may result from a decrease in HIF-1α stability through S6K1 inhibition in combination with an H2O2-scavenging effect. Oltipraz treatment also inhibits HIF-1α activation stimulated by either hypoxia or CoCl2. Oltipraz is a cancer chemopreventive agent and has an inhibitory effect on angiogenesis and tumor growth. [1] Oltipraz is also a competitive inhibitor of this cytochrome P450, with an apparent Ki of 10 μM. [2]in vivo: In wild-type mice, hepatic levels of mRNA for all of the genes analyzed were significantly increased after Oltipraz treatment, with the highest increase (treated/control) for NQO1 mRNA levels (7.6-fold). The Northern blot analyses demonstrated that the observed increases in GST and NQO1 activities by Oltipraz in wild-type mice were preceded by significant elevations in RNA expression. Interestingly, mRNA levels of Nrf2 itself were increased more than 3-fold by Oltipraz treatment. [2]

  • CAS Number: 64224-21-1
  • MF: C8H6N2S3
  • MW: 226.342
  • Catalog: HIF/HIF Prolyl-Hydroxylase
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 408.1±55.0 °C at 760 mmHg
  • Melting Point: 165-166ºC
  • Flash Point: 200.6±31.5 °C

LmCPB-IN-1

LmCPB-IN-1 (compound 35) is a potent and reversible covalent Leishmania mexicana cysteine protease B (LmCPB) inhibitor with a pKi of 9.7[1].

  • CAS Number: 2151025-98-6
  • MF: C18H30N6O2
  • MW: 362.47
  • Catalog: Cathepsin
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Me-indoxam

Me-Indoxam is a potent and cell-impermeable secreted phospholipase A2 (sPLA2) inhibitor[1].

  • CAS Number: 172732-62-6
  • MF: C26H22N2O5
  • MW: 442.46
  • Catalog: Phospholipase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

IDO1/2-IN-1 hydrochloride

IDO1/2-IN-1 hydrochloride (compound 4t) is the first potent IDO1/IDO2 dual inhibitor with IC50s of 28 nM and 144 nM for IDO1 and IDO2, respectively. IDO1/2-IN-1 hydrochloride exhibits antitumor activies. Orally active[1].

  • CAS Number: 2310286-60-1
  • MF: C16H19BrClFN8O4
  • MW: 521.73
  • Catalog: Indoleamine 2,3-Dioxygenase (IDO)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

4-Hexylresorcinol

Hexylresorcinol is an organic compound with local anaesthetic, antiseptic and anthelmintic properties, is a potent inhibitor of mushroom tyrosinase, causing 90% loss of activity at 100 μM.

  • CAS Number: 136-77-6
  • MF: C12H18O2
  • MW: 194.270
  • Catalog: Tyrosinase
  • Density: 1.0±0.1 g/cm3
  • Boiling Point: 329.5±12.0 °C at 760 mmHg
  • Melting Point: 65-67 °C(lit.)
  • Flash Point: 155.2±14.2 °C

Chymotrypsin

Chymotrypsin (Chymotrypsin A) is a serine protease produced by the pancreas. Chymotrypsin cleaves protein chains at the carboxyl side of aromatic amino acids[1][2].

  • CAS Number: 9004-07-3
  • MF: N/A
  • MW:
  • Catalog: Ser/Thr Protease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: 127°C
  • Flash Point: N/A

LOVASTATIN HYDROXY ACID, SODIUM SALT

Lovastatin acid (Mevinolinic acid), an active metabolite of Lovastatin, is a potent competitive HMG-CoA reductase inhibitor with a Ki of 0.6 nM[1].

  • CAS Number: 75225-51-3
  • MF: C24H38O6
  • MW: 422.55
  • Catalog: HMG-CoA Reductase (HMGCR)
  • Density: 1.14g/cm3
  • Boiling Point: 602.3ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 199.1ºC

Anticancer agent 122

Anticancer agent 122, an inhibitor of human lactate dehydrogenase A enzyme (hLDHA), has good anticancer activities and can be used for anticancer research[1].

  • CAS Number: 2924532-50-1
  • MF: C18H15ClN2O2S
  • MW: 358.84
  • Catalog: Lactate Dehydrogenase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

LMP7-IN-1

LMP7-IN-1 is an inhibitor of immunoproteasome (LMP7), may used in the research of inflammatory and autoimmune diseases, neurodegenerative diseases, proliferative diseases and cancer[1].

  • CAS Number: 2285330-15-4
  • MF: C17H20BNO5
  • MW: 329.16
  • Catalog: Proteasome
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Ac-Leu-Leu-Norleucinol

Ac-Leu-Leu-Norleucinol (ALLN) is a calpain inhibitor, can be used for research of Acetaminophen (HY-66005) induced acute liver damage, and lowers glutamic-oxalacetic transaminease (ALT) and glutamic-pyruvic transaminase (AST)[1].

  • CAS Number: 148333-42-0
  • MF: C20H37N3O5
  • MW: 399.52
  • Catalog: Proteasome
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Spirapril

Spirapril is a potent and cross the blood-brain barrier angiotensin converting enzyme (ACE) inhibitor with antihypertensive activity. Spirapril competitively binds to ACE and prevents the conversion of angiotensin I to angiotensin II. Spirapril is an orally active prodrug of Spiraprilat and can be used for the research of hypertension, congestive heart failure[1][2][3].

  • CAS Number: 83647-97-6
  • MF: C22H30N2O5S2
  • MW: 466.61400
  • Catalog: Angiotensin-converting Enzyme (ACE)
  • Density: 1.32 g/cm3
  • Boiling Point: 697.8ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 375.8ºC

Flizasertib

Flizasertib is a serine/threonine kinase inhibitor[1].

  • CAS Number: 2268739-68-8
  • MF: C15H14FN3O
  • MW: 271.29
  • Catalog: Ser/Thr Protease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

3-Hydroxy-3-(2H3)methylpentanedioic acid

Meglutol-d3 is the deuterium labeled Meglutol[1]. Meglutol is an antilipemic agent which lowers cholesterol, triglycerides, serum beta-lipoproteins and phospholipids, and inhibits the activity of hydroxymethylglutarryl CoA reductases, which is the rate limiting enzyme in the biosynthesis of cholesterol.

  • CAS Number: 59060-36-5
  • MF: C6H7D3O5
  • MW: 165.159
  • Catalog: Autophagy
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 354.3±32.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 182.2±21.6 °C

PDE9-IN-1

PDE9-IN-1 is a potent, selective, and orally bioavailable phosphodiesterase-9A (PDE9A) Inhibitor with an IC50 of 8.7 nM[1].

  • CAS Number: 2305087-92-5
  • MF: C17H23FN6O2
  • MW: 362.40
  • Catalog: Phosphodiesterase (PDE)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A