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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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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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

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

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

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

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

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

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

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

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

NSC 95397

NSC 95397 is an inhibitor for dual-specificity phosphatases, including mitogen-activated protein kinase phosphatase-1 (MKP-1). NSC 95397 suppresses proliferation and induces apoptosis in colon cancer cells through MKP-1 and ERK1/2 pathway[1].

  • CAS Number: 93718-83-3
  • MF: C14H14O4S2
  • MW: 310.39
  • Catalog: Phosphatase
  • Density: 1.46g/cm3
  • Boiling Point: 499.2ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 255.7ºC

BMS 493

BMS493 is an inverse pan-retinoic acid receptor (RAR) agonist. BMS493 increases nuclear corepressor interaction with RARs. BMS493 also could prevent retinoic acid-induced differentiation[1][2].

  • CAS Number: 215030-90-3
  • MF: C29H24O2
  • MW: 404.50000
  • Catalog: RAR/RXR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Indisulam

Indisulam (E 7070) is a carbonic anhydrase inhibitor and a G1-targeting agent. Indisulam causes a blockade in the G1/S transition through inhibition of the activation of both cyclin-dependent kinase 2 (CDK2) and cyclin E. Shows anti-tumor activity in human colon and lung cancer cells[1][2].

  • CAS Number: 165668-41-7
  • MF: C14H12ClN3O4S2
  • MW: 385.846
  • Catalog: Carbonic Anhydrase
  • Density: 1.7±0.1 g/cm3
  • Boiling Point: 668.9±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 358.4±34.3 °C

carboxypeptidase w

Carboxypeptidase C is a carboxypeptidase, is often used in biochemical studies. Carboxypeptidase C removes COOH-terminal lysine, arginine, and proline, as well as all other neutral, aliphatic, aromatic, and the acidic protein amino acids of a peptide chain[1].

  • CAS Number: 9046-67-7
  • MF:
  • MW:
  • Catalog: Carboxypeptidase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

C25-140

C25-140, a first-in-class TRAF6-Ubc13 inhibitor, directly binds to TRAF6, thereby blocks the interaction of TRAF6 with Ubc13 and as a consequence lowers TRAF6 activity. C25-140 expands studying the impact of the ubiquitin system on immune signaling and underscores the importance of TRAF6 E3 ligase activity in psoriasis and rheumatoid arthritis (RA)[1].

  • CAS Number: 1358099-18-9
  • MF: C26H31N7O
  • MW: 457.57
  • Catalog: TNF Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

pythiDC

PythiDC is a selective collagen prolyl 4-hydroxylase (CP4H1) inhibitor with an IC50 value of 4.0 μM. PythiDC can be used as a CP4H probe and also can be used for the development of a new class of antifibrotic and antimetastatic agents[1].

  • CAS Number: 1821370-71-1
  • MF: C10H6N2O4S
  • MW: 250.23
  • Catalog: MMP
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Roflumilast N-oxide

Roflumilast N-oxide is a PDE type 4 inhibitor.

  • CAS Number: 292135-78-5
  • MF: C17H14Cl2F2N2O4
  • MW: 419.207
  • Catalog: Phosphodiesterase (PDE)
  • Density: 1.6±0.1 g/cm3
  • Boiling Point: 519.7±50.0 °C at 760 mmHg
  • Melting Point: 181 °C
  • Flash Point: 268.1±30.1 °C

Pradefovir mesylate

Pradefovir mesylate is a good substrate for liver CYP3A4. Pradefovir is converted to 9-(2-phosphonylmethoxyethyl)adenine (PMEA) in human liver microsomes with a Km of 60 μM.

  • CAS Number: 625095-61-6
  • MF: C18H23ClN5O7PS
  • MW: 519.89600
  • Catalog: Cytochrome P450
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

FGTI-2734

FGTI-2734 is a RAS C-terminal mimetic dual farnesyl transferase (FT) and geranylgeranyl transferase-1 (GGT) inhibitor with IC50s of 250 nM and 520 nM for FT and GGT, respectively. FGTI-2734 can prevent membrane localization of KRAS, hence solving KRAS resistance problem and thwarting mutant KRAS patient-derived pancreatic tumors[1].

  • CAS Number: 1247018-19-4
  • MF: C26H31FN6O2S
  • MW: 510.63
  • Catalog: Farnesyl Transferase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Dabigatran (BIBR 953)

Dabigatran(BIB-953; BIBR 953ZW) is a reversible and selective, direct thrombin inhibitor (DTI) with Ki value of 4.5 nM.IC50 Value: 4.5 nM (Ki); 10 nM(Thrombin-induced platelet aggregation) [1]Target: thrombinin vitro: Dabigatran selectively and reversibly inhibited human thrombin(Ki: 4.5 nM) as well as thrombin-induced platelet aggregation (IC(50): 10 nM), while showing no inhibitory effect on other platelet-stimulating agents.Thrombin generation in platelet-poor plasma (PPP), measured as the endogenous thrombin potential (ETP) was inhibited concentration-dependently (IC(50): 0.56 microM). Dabigatran demonstrated concentration-dependent anticoagulant effects in various species in vitro, doubling the activated partial thromboplastin time (aPTT), prothrombin time (PT) and ecarin clotting time (ECT) in human PPP at concentrations of 0.23, 0.83 and 0.18 microM, respectively [1]. in vivo: Dabigatran prolonged the aPTT dose-dependently after intravenous administration in rats (0.3, 1 and 3 mg/kg) and rhesus monkeys (0.15, 0.3 and 0.6 mg/kg). Dose- and time-dependent anticoagulant effects were observed with dabigatran etexilate administered orally to conscious rats (10, 20 and 50 mg/kg) or rhesus monkeys (1, 2.5 or 5 mg/kg), with maximum effects observed between 30 and 120 min after administration, respectively [1]. Patients treated with dabigatran etexilate experienced fewer ischaemic strokes (3.74 dabigatran etexilate vs 3.97 warfarin) and fewer combined intracranial haemorrhages and haemorrhagic strokes (0.43 dabigatran etexilate vs 0.99 warfarin) per 100 patient-years [2].Clinical trial: An Evaluation of the Pharmacokinetics and Pharmacodynamics of Oral Dabigatran Etexilate in Hemodialysis Patients . Phase1

  • CAS Number: 211914-51-1
  • MF: C25H25N7O3
  • MW: 471.511
  • Catalog: Thrombin
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 797.1±70.0 °C at 760 mmHg
  • Melting Point: 268-272ºC
  • Flash Point: 435.9±35.7 °C

BMS 214662

BMS-214662 is a potent and selective farnesyl transferase inhibitor with potent antitumor activity with an IC50 of 1.35 nM.

  • CAS Number: 195987-41-8
  • MF: C25H23N5O2S2
  • MW: 489.61200
  • Catalog: Farnesyl Transferase
  • Density: 1.45g/cm3
  • Boiling Point: 790.9ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 432.1ºC

feprazone

Feprazone (DA2370; Prenazone), an analogue of Phenylbutazone (HY-B0230), is a nonsteroidal anti-inflammatory agent with analgesic and antipyretic activities. Feprazone acts by inhibiting the activity of cyclooxygenase (COX)-2. Feprazone ameliorates free fatty acid (FFA)-induced oxidative stress by reducing the production of mitochondrial reactive oxygen species (ROS). Feprazone can decrease the expression of MMP-2 and MMP-9. Besides, Feprazone can suppress adipogenesis and increase lipolysis in differentiating 3 T3-L1 cells. Feprazone also can be used to research atherosclerosis and obesity[1][2][3].

  • CAS Number: 30748-29-9
  • MF: C20H20N2O2
  • MW: 320.385
  • Catalog: COX
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 437.2±28.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 178.7±16.4 °C

12-O-Methylcarnosic acid

12-O-Methylcarnosic acid (12-Methoxycarnosic acid), a diterpene carnosic acid isolated from the acetone extract of Salvia microphylla, is an active constituent of 5α-reductase inhibition with an IC50 value of 61.7 μM. 12-O-Methylcarnosic acid inhibits proliferation in LNCaP cells. 12-O-Methylcarnosic acid has antioxidant, anti-cancer and antimicrobial activity[1][2].

  • CAS Number: 62201-71-2
  • MF: C21H30O4
  • MW: 346.461
  • Catalog: 5 alpha Reductase
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 505.1±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 173.3±23.6 °C

OBAA

OBAA is a potent phospholipase A2 (PLA2) inhibitor with an IC50 of 70 nM. OBAA blocks Melittin-induced Ca2+ influx in Trypanosoma brucei with an IC50 of 0.4 μM[1][2][3].

  • CAS Number: 134531-42-3
  • MF: C28H44O3
  • MW: 428.64700
  • Catalog: Apoptosis
  • Density: 0.974 g/cm3
  • Boiling Point: 550.8ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 301ºC

MSI-1436

MSI-1436 is a selective, non-competitive inhibitor of the enzyme protein tyrosine phosphatase 1B (PTB-1B), with an IC50 of appr 1 μM, 200-fold preference over TC-PTP (IC50, 224 μM).

  • CAS Number: 186139-09-3
  • MF: C37H72N4O5S
  • MW: 685.056
  • Catalog: Phosphatase
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A