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.


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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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VD2173

VD2173 is a side chain cyclized macrocyclic peptide inhibitor of HGF-activating serine proteases. VD2173 potently inhibits matriptase and hepsin. VD2173 can be used for the research of lung cancer[1].

  • CAS Number: 2574389-19-6
  • MF: C31H45N9O6S
  • MW: 671.81
  • Catalog: Ser/Thr Protease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Tamoxifen-d5

Tamoxifen-d5 (ICI 47699-d5) is a deuterium labeled Tamoxifen. Tamoxifen (ICI 47699) is a selective estrogen receptor modulator (SERM). Tamoxifen is a potent Hsp90 activator and enhances the Hsp90 molecular chaperone ATPase activity[1][2].

  • CAS Number: 157698-32-3
  • MF: C26H24D5NO
  • MW: 376.54500
  • Catalog: Apoptosis
  • Density: 1.057g/cm3
  • Boiling Point: 482.3ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 140ºC

NCX899

NCX899 is a NO-releasing derivative of enalapril, and shows inhibitory activity against angiotensin-converting enzyme (ACE) activity.

  • CAS Number: 690655-41-5
  • MF: C23H33N3O8
  • MW: 479.523
  • Catalog: Angiotensin-converting Enzyme (ACE)
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 622.7±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 330.4±31.5 °C

Roflupram

Roflupram is a selective, orally active and brain-penetrant PDE4 inhibitor, with an IC50 of 26.2 nM for core catalytic domains of human PDE4. Roflupram can reverse cognitive deficits and reduce the production of pro-inflammatory factors[1][2].

  • CAS Number: 1093412-18-0
  • MF: C16H20F2O4
  • MW: 314.32
  • Catalog: Phosphodiesterase (PDE)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

SNX-0723

SNX-0723 is a selective, brain-permeable, orally acitve small-molecule inhibitor of Hsp90 (IC50=14 nM) that inhibits alpha-synuclein oligomerization with EC50 of 48 nM; induces Hsp70 (IC50=31 nM), and decreases expression of several known Hsp90 client proteins:HER2 (IC50=9.4 nM), ribosomal protein s6 (pS6) (IC50=13 nM), and PERK (IC50=5.5 nM); shows significant brain concentrations along with induction of brain Hsp70 in vivo with promising PK properties.

  • CAS Number: 1073969-18-2
  • MF: C22H26FN3O3
  • MW: 399.47
  • Catalog: HSP
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Rugonersen

Rugonersen (RG6091; RO7248824) is a locked-nucleic acid (LNA)- modified antisense oligonucleotides (ASOs), and results in reduction of ubiquitin-protein ligase E3A (UBE3A) silencing. Angelman syndrome (AS) is a severe neurodevelopmental disorder caused by the loss of neuronal E3 ligase UBE3A, Rugonersen has been used for AS reasearch[1][2].

  • CAS Number: 2591587-57-2
  • MF:
  • MW: 6530.00
  • Catalog: E1/E2/E3 Enzyme
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

COX/5-LO-IN-1

COX/5-LO-IN-1 is an inhibitor of cylooxygenase and 5-lipoxygenase, used for the research of inflammatory and allergic disease states.

  • CAS Number: 154355-75-6
  • MF: C16H15FN2O2S
  • MW: 318.371
  • Catalog: 5-Lipoxygenase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Pedunculoside

Pedunculoside is a main bioactive component isolated from Jiubiying. Pedunculoside exerts lipid-lowering effects partly through the regulation of lipogenesis and fatty acid β-oxidation[1].

  • CAS Number: 42719-32-4
  • MF: C36H58O10
  • MW: 650.840
  • Catalog: Fatty Acid Synthase (FAS)
  • Density: 1.31
  • Boiling Point: 760.1±60.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 230.3±26.4 °C

LTV-1

LTV-1 is a highly potent, cell-permeable and reversible inhibitor of lymphoid tyrosine phosphatase (LYP) (IC50 = 508 nM). IC50 value: 508 nMTarget: LYPin vitro: LTV-1 inhibits LYP in a dose-dependent manner at low- and sub-micromolar concentrations in T cells. LTV-1 enhances TCR signaling in intact cells. Exhibits competitive to mixed mode of inhibition (Ki = 384 nM). LTV-1 inhibits the mutant, disease associated LYP-Trp620 activity. LTV-1 blocks the action of the mutant LYP protein in human T cells.

  • CAS Number: 347379-29-7
  • MF: C26H20N2O5S
  • MW: 472.512
  • Catalog: Phosphatase
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

RORγt inhibitor 2

RORγt inhibitor 2 (Compound 119) is a potent RORγt inhibitor with an IC50 of 9.2 nM. RORγt inhibitor 2 can be used for the research of cancer, inflammation or autoimmune diseases mediated by RORγt[1].

  • CAS Number: 2673278-10-7
  • MF: C31H33F5N2O7S
  • MW: 672.66
  • Catalog: ROR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

BT1718

BT1718 is a bicyclic anticancer peptide targeting MT1-MMP. BT1718 uses MT1-MMP to target tumors and promote delivery of the cytotoxic payload Mertansine (HY-19792). BT1718 is a bicycle toxin conjugate with a KD value of 3 nM. MT1-MMP is overexpressed in a variety of advanced solid tumors, including triple-negative breast cancer (TNBC), non-small cell lung cancer[1][2].

  • CAS Number: 2227366-66-5
  • MF: C159H218ClN31O47S5
  • MW: 3511.39
  • Catalog: MMP
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Lycopodine

Lycopodine, a pharmacologically important bioactive component derived from Lycopodium clavatumspores, triggers apoptosis by modulating 5-lipoxygenase, and depolarizing mitochondrial membrane potential in refractory prostate cancer cells without modulating p53 activity[1]. Lycopodine inhibits proliferation of HeLa cells through induction of apoptosis via caspase-3 activation[2].

  • CAS Number: 466-61-5
  • MF: C16H25NO
  • MW: 247.37600
  • Catalog: Caspase
  • Density: 1.106g/cm3
  • Boiling Point: 373.464ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 137.245ºC

Ac-Leu-Val-Lys-aldehyde

Ac-Leu-Val-Lys-Aldehyde is a potent cathepsin B inhibitor with IC50s of 4 nM. Ac-Leu-Val-Lys-Aldehyde significantly reduces quinolinic acid (HY-100807)-induced striatal cell death and causes accumulation of LC3-II[1].

  • CAS Number: 147600-40-6
  • MF: C19H36N4O4
  • MW: 384.51
  • Catalog: Cathepsin
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 665.5±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 356.3±31.5 °C

CMS121

CMS-121 is a quinolone derivative and an orally active acetyl-CoA carboxylase 1 (ACC1) inhibitor. CMS-121 protects HT22 cells against ischemia and oxidative damage with EC50 values of 7 nM and 200 nM, respectively. CMS-121 has strong neuroprotective, anti-inflammatory, antioxidative and renoprotective activities[1][2][3].

  • CAS Number: 1353224-53-9
  • MF: C20H19NO3
  • MW: 321.37
  • Catalog: Acetyl-CoA Carboxylase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

4'-Methylchrysoeriol

4'-Methylchrysoeriol is a potent inhibitor of Cytochrome P450 enzymes, with an IC50 of 19 nM for human P450 1B1-dependent EROD.

  • CAS Number: 4712-12-3
  • MF: C17H14O6
  • MW: 314.28900
  • Catalog: Cytochrome P450
  • Density: 1.402g/cm3
  • Boiling Point: 538.3ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 201.3ºC

Hemorphin-7

Hemorphin-7 is a hemorphin peptide, an endogenous opioid peptide derived from the β-chain of hemoglobin. Hemorphin peptides exhibits antinociceptive and antihypertensive activities, activating opioid receptors and inhibiting angiotensin-converting enzyme (ACE).

  • CAS Number: 152685-85-3
  • MF: C49H64N12O11
  • MW: 997.106
  • Catalog: Peptides
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

IDH1 Inhibitor 7-d2

IDH1 Inhibitor 7-d2 is the deuterium labeled IDH1 Inhibitor 7 (HY-150238). IDH1 Inhibitor 7 is an IDH1 inhibitor with an IC50 of less than 100 nM[1][2].

  • CAS Number: 2135309-51-0
  • MF: C22H22D2F3N7O
  • MW: 461.48
  • Catalog: Isocitrate Dehydrogenase (IDH)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Spirapril hydrochloride

Spirapril (SCH 33844) hydrochloride is a potent 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].

  • CAS Number: 94841-17-5
  • MF: C22H31ClN2O5S2
  • MW: 503.07500
  • Catalog: Angiotensin-converting Enzyme (ACE)
  • Density: N/A
  • Boiling Point: 697.8ºC at 760mmHg
  • Melting Point: 192-194ºC (dec.)
  • Flash Point: 375.8ºC

PCSK9-IN-14

PCSK9-IN-14 (compound Ia-8) is a potent PCSK9 inhibitor[1].

  • CAS Number: 2913198-84-0
  • MF: C15H10F6N4O2
  • MW: 392.26
  • Catalog: Ser/Thr Protease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

H-Phe-Pro-Ala-pNA

Phe-Pro-Ala-pNA is a chromogenic substrate of tripeptidyl peptidase. Phe-Pro-Ala-pNA can be used to test tripeptidyl peptidase activity[1].

  • CAS Number: 201738-99-0
  • MF: C23H27N5O5
  • MW: 453.49
  • Catalog: Ser/Thr Protease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Sephin 1

Sephin 1 (NSC 65390) is a selective inhibitor of PPP1R15A that disrupts the PPP1R15A-PP1c complex but spares the related PPP1R15B-PP1c complex; prolongs eIF2α phosphorylation after stress, attenuates the expression of stress genes such as CHOP, and protects cells from cytotoxic ER stress; lacks any measurable α2-adrenergic agonist activity in a cell-based assay, in contrast to Guanabenz; safely prevents the motor, morphological, and molecular defects in mice.

  • CAS Number: 951441-04-6
  • MF: C8H9ClN4
  • MW: 196.637
  • Catalog: Phosphatase
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 374.2±44.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 180.1±28.4 °C

(-)-PX20606 trans isomer

(-)-PX20606 trans isomer is a FXR agonist with EC50s of 18 and 29 nM for FXR in FRET and M1H assay, respectively.

  • CAS Number: 1268244-88-7
  • MF: C29H22Cl3NO4
  • MW: 553.06
  • Catalog: FXR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Cucurbitacin D

Cucurbitacin D is an active component in Cucurbita texana, disrupts interactions between Hsp90 and two co-chaperones, Cdc37 and p23. Cucurbitacin D prevents Hsp90 client (Her2, Raf, Cdk6, pAkt) maturation without induction of the heat shock response. Anti-cancer activity[1].

  • CAS Number: 3877-86-9
  • MF: C30H44O7
  • MW: 516.666
  • Catalog: HSP
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 684.0±55.0 °C at 760 mmHg
  • Melting Point: 151-152ºC
  • Flash Point: 381.4±28.0 °C

PTP1B-IN-22

PTP1B-IN-22, a ZINC02765569 derivative, is a potent protein tyrosine phosphatase 1B (PTP1B) inhibitor. PTP1B-IN-22 has PTP1B inhibition and glucose uptake in skeletal muscle L6 myotubes[1].

  • CAS Number: 86109-60-6
  • MF: C16H12N2O3S2
  • MW: 344.41
  • Catalog: Phosphatase
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

TRO 19622

Olesoxime (TRO 19622) is a mitochondrial-targeted neuroprotective compound with mean EC50 value for increasing cell survival is 3.2±0.2 µM.

  • CAS Number: 22033-87-0
  • MF: C27H45NO
  • MW: 399.65200
  • Catalog: Mitochondrial Metabolism
  • Density: 1.1
  • Boiling Point: 510ºC at 760mmHg
  • Melting Point: 145-148ºC
  • Flash Point: 341ºC

ML 228

ML228(CID-46742353) is an activator of the Hypoxia Inducible Factor (HIF) pathway; potently activate HIF in vitro as well as its downstream target VEGF.IC50 value: 1 uM (EC50) [1]Target: HIF activatorML228 represents a novel chemotype available to the research community for the study of HIF activation and its therapeutic potential. Not only is the compound substantially different in structure from known HIF activators, ML228 lacks the acidic functional group almost universally present in PHD inhibitors, which may be important for certain disease applications.

  • CAS Number: 1357171-62-0
  • MF: C27H21N5
  • MW: 415.489
  • Catalog: HIF/HIF Prolyl-Hydroxylase
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 686.0±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 368.7±34.3 °C

Fenbendazole-d3

Fenbendazole-d3 is a deuterium labeled Fenbendazole. Fenbendazole is a benzimidazole anthelmintic. Fenbendazole is active against Giardia in vitro (IC50 = 0.3 μM). Fenbendazole (20 mg/kg) prevents infiltration of parasites into the brain in a rabbit model of E. cuniculi infection. Fenbendazole also activates HIF-1α and prevents oxidative stress-induced death in primary neurons in vitro.

  • CAS Number: 1228182-47-5
  • MF: C15H10D3N3O2S
  • MW: 302.36600
  • Catalog: HIF/HIF Prolyl-Hydroxylase
  • Density: N/A
  • Boiling Point: 209-216 °C
  • Melting Point: N/A
  • Flash Point: N/A

PDE12-IN-3

PDE12-IN-3 is a phosphodiesterase 12 (PDE12) inhibitor with a pXC50 of 7.68. Antiviral activity[1].

  • CAS Number: 1803357-22-3
  • MF: C29H25N5O3
  • MW: 491.54
  • Catalog: Phosphodiesterase (PDE)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

E6446

E6446 is a potent and orally acitve TLR7 and TLR9 antagonist, used in the research of deleterious inflammatory responses.

  • CAS Number: 1219925-73-1
  • MF: C27H35N3O3
  • MW: 449.58500
  • Catalog: Toll-like Receptor (TLR)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

mIDH1-IN-1

mIDH1-IN-1 (compound 43) is a potent and selective mIDH1 (mutant isocitrate dehydrogenases 1) inhibitor, with an IC50 of 961.5 nM. mIDH1-IN-1 potently inhibits intracellular 2-HG (2-hydroxyglutarate) production in HT1080 cells, with an EC50 of 208.6 ± 8.0 nM. mIDH1-IN-1 shows a significant anti-proliferation activity on IDH1 mutant-U-87 cells, with an IC50 of 41.8 nM. mIDH1-IN-1 is an antitumor agent, and can be used for IDH1 mutated solid tumors research[1].

  • CAS Number: 2757155-96-5
  • MF: C25H27N3O5
  • MW: 449.50
  • Catalog: Isocitrate Dehydrogenase (IDH)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A