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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Metabolic Enzyme/Protease >
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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BAPTA tetrasodium

BAPTA tetrasodium is a selective chelator for calcium. BAPTA tetrasodium, as calcium indicator, has high selectivity against magnesium and calcium. BAPTA tetrasodium is widely used as an intracellular buffer for investigating the effects of Ca2+ release from intracellular stores or influx via Ca2+-permeable channels in the plasma membrane. BAPTA tetrasodium can also inhibit phospholipase C activity independently of their role as Ca2+ chelators[1][2][3].

  • CAS Number: 126824-24-6
  • MF: C22H20N2Na4O10
  • MW: 564.361
  • Catalog: Phospholipase
  • Density: N/A
  • Boiling Point: 766.6ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 417.4ºC

Malonganenone A

Malonganenone A is a selective plasmodial Hsp70s modulator. It also has antimalarial activity.

  • CAS Number: 882403-69-2
  • MF: C26H38N4O2
  • MW: 438.61
  • Catalog: HSP
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

KW-2478

KW-2478 is an inhibitor of Hsp90α, with an IC50 of 3.8 nM, and has antitumor activity against various human hematological tumor cells.

  • CAS Number: 819812-04-9
  • MF: C30H42N2O9
  • MW: 574.662
  • Catalog: HSP
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 746.9±60.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 405.5±32.9 °C

CDD3505

CDD3505 is used for elevating high density lipoprotein cholesterol (HDL) by inducing hepatic cytochrome P450IIIA (CYP3A) activity.

  • CAS Number: 173865-33-3
  • MF: C22H17N3O2
  • MW: 355.389
  • Catalog: Cytochrome P450
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 515.7±45.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 265.7±28.7 °C

Calpain-1 (pig)

Calpain-1 (pig) (μ-Calpain) is an intracellular Ca2+-regulated cysteine protease. Calpain-1 (pig) exhibits neuroprotective effect[1][2].

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

Nifurtimox

Nifurtimox, an antiprotozoal agent, which is generally used for the treatment of infections with Trypanosoma cruzi, has been used in the therapy of neuroblastoma. Nifurtimox affects enzyme activity of lactate dehydrogenase (LDH).

  • CAS Number: 23256-30-6
  • MF: C10H13N3O5S
  • MW: 287.29200
  • Catalog: Parasite
  • Density: 1.56g/cm3
  • Boiling Point: 550.3ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 286.6ºC

COX-2/15-LOX-IN-1

COX-2/15-LOX-IN-1 (Compound 14) is a COX-2 and 15-lipoxygenase enzyme (15-LOX) inhibitor with IC50 values of 10.65, 0.075 and 2.98 μM against COX-1, COX-2 and 15-LOX, respectively. COX-2/15-LOX-IN-1 shows anti-inflammatory activity[1].

  • CAS Number: 2413565-15-6
  • MF: C21H21N7S3
  • MW: 467.63
  • Catalog: COX
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Isavuconazole D4

Isavuconazole D4 (BAL-4815 D4) is a deuterium labeled Isavuconazole (BAL-4815). Isavuconazole is a triazole prodrug with antifungal activity against yeasts, molds, and dimorphic fungi[1].

  • CAS Number: 1346598-58-0
  • MF: C22H13D4F2N5OS
  • MW: 441.490
  • Catalog: Fungal
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 678.0±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 363.8±34.3 °C

rilpivirine hydrochloride

Rilpivirine (R278474) hydrochloride is a potent and specific diarylpyrimidine (DAPY) non-nucleoside reverse transcriptase inhibitor (NNRTI). Rilpivirine hydrochloride has high antiviral activity against wild-type HIV (EC50=0.4 nM) and mutant viruses (EC50=0.1-2.0 nM). Rilpivirine hydrochloride has a high genetic barrier to resistance development of HIV[1][2].

  • CAS Number: 700361-47-3
  • MF: C22H19ClN6
  • MW: 402.88
  • Catalog: SARS-CoV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Lonidamine

Lonidamine is an orally administered small molecule hexokinase inactivator.Target: OthersLonidamine is a derivative of indazole-3-carboxylic acid, which for a long time, has been known to inhibit aerobic glycolysis in cancer cells. It seems to enhance aerobic glycolysis in normal cells, but suppress glycolysis in cancer cells. This is most likely through the inhibition of the mitochondrially bound hexokinase. Later studies in Ehrlich ascites tumor cells showed that lonidamine inhibits both respiration and glycolysis leading to a decrease in cellular ATP. Clinical trials of lonidamine in combination with other anticancer agents for a variety of cancers has begun. Lonidamine has been used in the treatment of brain tumours in combination with radiotherapy and temozolomide. Results showed that a combination of temozolomide and lonidamine at clinically achievable, low plasma concentrations, could inhibit tumour growth, and lonidamine could reduce the dose of temozolomide required for radiosensitization of brain tumours. From Wikipedia.

  • CAS Number: 50264-69-2
  • MF: C15H10Cl2N2O2
  • MW: 321.158
  • Catalog: Hexokinase
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 537.9±45.0 °C at 760 mmHg
  • Melting Point: 207-209°C
  • Flash Point: 279.1±28.7 °C

ITMN 4077

ITMN 4077 is a macrocyclic inhibitor against Hepatitis C Virus (HCV) NS3 protease (EC50: 2131 nM)[1][2].

  • CAS Number: 790305-05-4
  • MF: C26H40N4O8S
  • MW: 568.6828
  • Catalog: HCV Protease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

BR351

BR351 is a brain penetrant MMP inhibitor with IC50s of 4, 2, 11, 50 nM for MMP2, MMP8, MMP9 and MMP13, respectively[1]. Potential tools for the molecular imaging of activated MMPs with PET[2].

  • CAS Number: 960113-85-3
  • MF: C20H25FN2O5S
  • MW: 424.49
  • Catalog: MMP
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

nelumol a

Nelumol A is a farnesoid X receptor (FXR) agonist[1].

  • CAS Number: 77836-86-3
  • MF: C21H30O4
  • MW: 346.46
  • Catalog: FXR
  • Density: 1.0±0.1 g/cm3
  • Boiling Point: 500.5±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 256.5±30.1 °C

SCD inhibitor 1

SCD inhibitor 1 is a stearoyl-coa desaturase (SCD) extracted from patent WO/2009060053 A1, compound example 16.

  • CAS Number: 1150701-66-8
  • MF: C18H16Cl2N4O2
  • MW: 391.251
  • Catalog: Stearoyl-CoA Desaturase (SCD)
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Palmitic acid-13C16 sodium

Palmitic acid-13C16 sodium is the 13C-labeled Palmitic acid sodium. Palmitic acid sodium is a long-chain saturated fatty acid commonly found in both animals and plants. Palmitic acid sodium can induce the expression of glucose-regulated protein 78 (GRP78) and CCAAT/enhancer binding protein homologous protein (CHOP) in in mouse granulosa cells[1][2].

  • CAS Number: 2483736-17-8
  • MF: 13C16H31NaO2
  • MW: 294.29
  • Catalog: HSP
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

ER21355

ER21355 is an inhibitor of phosphodiesterase 5 (PDE5), used for treatment of prostatic diseases.

  • CAS Number: 150452-18-9
  • MF: C22H21ClN4O4
  • MW: 440.88000
  • Catalog: Phosphodiesterase (PDE)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Deoxyshikonin

Deoxyshikonin is isolated from Lithospermum erythrorhizon Sieb with antitumor activity. Deoxyshikonin increases the expression of VEGF-C and VEGF-A mRNA in HMVEC-dLy, promotes HIF-1α and HIF-1β subunit interaction and binds to specific DNA sequences targeted by HIF, indicates a prolymphangiogenesis as well as a proangiogenesis effect in vitro[1]. Deoxyshikonin shows significant synergic antimicrobial activity with tetracycline against S. pneumonia (MIC=17 μg/mL), also shows significantly inhibitory activities against MRSA[2].

  • CAS Number: 43043-74-9
  • MF: C16H16O4
  • MW: 272.296
  • Catalog: Bacterial
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 503.7±50.0 °C at 760 mmHg
  • Melting Point: 91ºC
  • Flash Point: 272.5±26.6 °C

Hepatitis Virus C NS3 Protease Inhibitor 2

Hepatitis Virus C NS3 Protease Inhibitor 2 is a product-based peptide inhibitor of hepatitis C virus (HCV) NS3 protease, with a Ki of 41 nM[1].

  • CAS Number: 208939-95-1
  • MF: C43H56N6O14S
  • MW: 913.10
  • Catalog: HCV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Methyl Arachidonyl Fluorophosphonate

MAFP (Methyl Arachidonyl Fluorophosphonate) is an selective, active-site directed and irreversible inhibitor of cPLA2 and iPLA2. MAFP is also a potent irreversible inhibitor of anandamide amidase.

  • CAS Number: 188404-10-6
  • MF: C21H36FO2P
  • MW: 370.482
  • Catalog: Phospholipase
  • Density: 1.0±0.1 g/cm3
  • Boiling Point: 455.3±34.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 229.1±25.7 °C

Daclatasvir dihydrochloride

BMS-790052 is a highly selective inhibitor of HCV NS5A with EC50 of 9-50 pM, for a broad range of HCV replicon genotypes and the JFH-1 genotype 2a infectious virus in cell culture.IC50 Value: 9-50 pMTarget: HCV NS5ABMS-790052 has broad genotype coverage and exhibits picomolar in vitro potency against genotypes 1a (EC50 50pm) and 1b (EC50 9pm). BMS-790052 produces a robust decline in HCV RNA (-3.6 logs after 48 hours from a single 100 mg) dosefollowing a single dose in patients chronically infected with HCV genotype 1.

  • CAS Number: 1009119-65-6
  • MF: C40H52Cl2N8O6
  • MW: 811.797
  • Catalog: HCV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

D-Thr-OH

D-Tyrosine is the D-isomer of tyrosine. D-Tyrosine negatively regulates melanin synthesis by inhibiting tyrosinase activity. D-Tyrosine inhibits biofilm formation and trigger the self-dispersal of biofilms without suppressing bacterial growth[1][2].

  • CAS Number: 556-02-5
  • MF: C9H11NO3
  • MW: 181.189
  • Catalog: Tyrosinase
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 385.2±32.0 °C at 760 mmHg
  • Melting Point: 310-314ºC
  • Flash Point: 186.7±25.1 °C

ent-Tadalafil

ent-Tadalafil (ent-IC-351), compound (6S,12aS), is a inactive cis-enantiomer of compound (6R,12aS). compound (6R,12aS) is a potent PDE5 inhibitor with an IC50 of 0.090 μM, while ent-Tadalafil is inactive at concentrations up to 10 µM[1].

  • CAS Number: 629652-72-8
  • MF: C22H19N3O4
  • MW: 389.40400
  • Catalog: Phosphodiesterase (PDE)
  • Density: 1.51±0.1 g/cm3 (20 ºC 760 Torr)
  • Boiling Point: N/A
  • Melting Point: 302-304 ºC
  • Flash Point: N/A

GNE-6468

GNE-6468 is a potent and selective RORγ(RORc) agonists with an EC50 value of 13 nM for HEK-293 cell.

  • CAS Number: 1677668-27-7
  • MF: C23H16ClN3O4
  • MW: 433.84
  • Catalog: ROR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

MK-0674

MK-0674 is a potent, orally bioavailable and selective cathepsin K inhibitor, with an IC50 of 0.4 nM, shows 1156, 1465, 11857 and 243 fold selectivity over Cat B, Cat F, Cat L and Cat S. MK-0674 exhibits long half-lives in rats, rabbits and rhesus monkeys[1].

  • CAS Number: 887781-62-6
  • MF: C26H27F6N3O2
  • MW: 527.50200
  • Catalog: Cathepsin
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

BI-4394

BI-4394 is a highly potent, selective MMP-13 inhibitor with IC50 of 1 nM, displays >1,000 fold selectivity against nine other MMP isoforms (MMP2/14, IC50=18/8.3 uM); BI-4394 is potent in a full-length MMP-13 collagen degradation assay (IC50=11 nM) and is able to inhibit degradation of bovine nasal cartilage with an IC50 of 31 nM.

  • CAS Number: 1222173-37-6
  • MF: C24H22N4O5
  • MW: 446.455
  • Catalog: MMP
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 764.4±60.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 416.1±32.9 °C

Pravastatin (sodium)

Pravastatin sodium is an HMG-CoA reductase inhibitor against sterol synthesis with IC50 of 5.6 μM.Target: HMG-CoA reductasePravastatin (marketed as Pravachol or Selektine) is a member of the drug class of statins, used in combination with diet, exercise, and weight-loss for lowering cholesterol and preventing cardiovascular disease.Pravastatin is primarily used for the treatment of dyslipidemia and the prevention of cardiovascular disease. It is recommended to be used only after other measures such as diet, exercise, and weight reduction have not improved cholesterol levels.The evidence for the use of pravastatin is generally weaker than for other statins. The antihypertensive and lipid-lowering treatment to prevent heart attack trial (ALLHAT), failed to demonstrate a difference in all-cause mortality or nonfatal myocardial infarction/fatal coronary heart disease rates between patients receiving pravastatin 40mg daily (a common starting dose) and those receiving usual care.

  • CAS Number: 81131-70-6
  • MF: C23H35NaO7
  • MW: 446.51
  • Catalog: Ferroptosis
  • Density: N/A
  • Boiling Point: 634.5ºCat 760 mmHg
  • Melting Point: 171.2-173 °C
  • Flash Point: 213.2ºC

NLG919

IDO-IN-7 (NLG-919 analogue) is a a potent IDO1 inhibitor with an IC50 of 38 nM.

  • CAS Number: 1402836-58-1
  • MF: C18H22N2O
  • MW: 282.380
  • Catalog: Indoleamine 2,3-Dioxygenase (IDO)
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 524.6±33.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 271.1±25.4 °C

Benzenecarboximidamide hydrochloride hydrate

Benzenecarboximidamide, hydrochloride, hydrate (1:1:x) (Benzamidine hydrochloride hydrate) is a reversible competitive trypsin-like serine proteases inhibitor with Kis of 20, 21, 97, 110, 320 and 750 μM against Tryptase, Trypsin, uPA, Factor Xa, Thrombin and tPA, respectively[1][2].

  • CAS Number: 206752-36-5
  • MF: C7H8N2.ClH.xH2O
  • MW: 174.628
  • Catalog: Ser/Thr Protease
  • Density: N/A
  • Boiling Point: 208.5ºC at 760mmHg
  • Melting Point: 86-88 °C(lit.)
  • Flash Point: 79.9ºC

halazone

Halazone is an atypical antimicrobial sulfonamide derivative and a carbonic anhydrase II inhibitor with a Kd value of 1.45 µM. Halazone protects sodium channels from inactivation. Halazone is widely used for disinfection of drinking water[1][2].

  • CAS Number: 80-13-7
  • MF: C7H5Cl2NO4S
  • MW: 270.09000
  • Catalog: Bacterial
  • Density: 1.717 g/cm3
  • Boiling Point: 437ºC at 760 mmHg
  • Melting Point: 213ºC
  • Flash Point: 218.1ºC

PRT 4165

PRT4165 is a potent inhibitor of PRC1-mediated H2A ubiquitylation.

  • CAS Number: 31083-55-3
  • MF: C15H9NO2
  • MW: 235.238
  • Catalog: E1/E2/E3 Enzyme
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 452.3±45.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 227.0±35.1 °C