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 >
Arenavirus Bacterial CMV Enterovirus Filovirus Fungal HBV HCV HIV HSV Influenza Virus Parasite Reverse Transcriptase RSV SARS-CoV
Antibody-drug Conjugate >
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Apoptosis >
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Autophagy >
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Antifolate APC ATM/ATR Aurora Kinase Casein Kinase CDK Checkpoint Kinase (Chk) CRISPR/Cas9 Deubiquitinase DNA Alkylator/Crosslinker DNA-PK DNA/RNA Synthesis Eukaryotic Initiation Factor (eIF) G-quadruplex Haspin Kinase HDAC HSP IRE1 Kinesin LIM Kinase (LIMK) Microtubule/Tubulin Mps1 Nucleoside Antimetabolite/Analog p97 PAK PARP PERK Polo-like Kinase (PLK) PPAR RAD51 ROCK Sirtuin SRPK Telomerase TOPK Topoisomerase Wee1
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Membrane Transporter/Ion Channel >
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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
Neuronal Signaling >
5-HT Receptor AChE Adenosine Kinase Amyloid-β Beta-secretase CaMK CGRP Receptor COMT Dopamine Receptor Dopamine Transporter FAAH GABA Receptor GlyT iGluR Imidazoline Receptor mAChR Melatonin Receptor Monoamine Oxidase nAChR Neurokinin Receptor Opioid Receptor Serotonin Transporter γ-secretase
NF-κB >
NF-κB IKK Keap1-Nrf2 MALT1
PI3K/Akt/mTOR >
Akt AMPK ATM/ATR DNA-PK GSK-3 MELK mTOR PDK-1 PI3K PI4K PIKfyve PTEN
PROTAC >
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Protein Tyrosine Kinase/RTK >
Ack1 ALK Bcr-Abl BMX Kinase Btk c-Fms c-Kit c-Met/HGFR Discoidin Domain Receptor DYRK EGFR Ephrin Receptor FAK FGFR FLT3 IGF-1R Insulin Receptor IRAK Itk PDGFR PKA Pyk2 ROS Src Syk TAM Receptor Trk Receptor VEGFR
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Casein Kinase ERK Gli GSK-3 Hedgehog Hippo (MST) JAK Notch Oct3/4 PKA Porcupine ROCK sFRP-1 Smo STAT TGF-beta/Smad Wnt YAP β-catenin γ-secretase
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Vitamin D Related >
VD/VDR
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Saquinavir-d9

Saquinavir-d9 (Ro 31-8959-d9) is the deuterium labeled Saquinavir. Saquinavir(Ro 31-8959) is an HIV Protease inhibitor used in antiretroviral therapy. Saquinavir is also a SARS-CoV 3CLpro inhibitor with an IC50 of 1.36 μM[1][2].

  • CAS Number: 1356355-11-7
  • MF: C38H41D9N6O5
  • MW: 679.89600
  • Catalog: HIV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Ensifentrine

Ensifentrine (RPL-554) is an inhaled first-in-class dual inhibitor of phosphodiesterase 3 (PDE3) and PDE4 with IC50s of 0.4 nM and 1479 nM, respectively. Ensifentrine has bronchoprotective and anti-inflammatory activities. Ensifentrine can be used for chronic obstructive pulmonary disease (COPD) research[1][2].

  • CAS Number: 1884461-72-6
  • MF: C26H31N5O4
  • MW: 477.56
  • Catalog: Phosphodiesterase (PDE)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

3'-(3-oxo-11 beta,17-dihydroxy-4-androstene-17 alpha- yl)propionic acid lactone

RU 752 is a potent mineralocorticoid receptors (type I or MR) antagonist[1].

  • CAS Number: 51390-69-3
  • MF: C22H30O4
  • MW: 358.47100
  • Catalog: Mineralocorticoid Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

1(2H)-Pyrazineacetamide, 6-chloro-3-[[2,2-difluoro-2-(2-pyridinyl)ethyl]amino]-N-[(3-fluoro-2-pyridinyl)Methyl]-2-oxo-

Thrombin Inhibitor 2 is a small molecule direct thrombin inhibitor, extracted from US8541580B2. Thrombin Inhibitor 2 has antithrombotic activity[1].

  • CAS Number: 312904-62-4
  • MF: C19H16ClF3N6O2
  • MW: 452.81800
  • Catalog: Thrombin
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Deoxyneocryptotanshinone

Deoxyneocryptotanshinone, a natural tanshinone, is a high affinity BACE1 (Beta-secretase) inhibitor with an IC50 value of 11.53 μM. Deoxyneocryptotanshinone shows a promising dose-dependent inhibition of protein tyrosine phosphatase 1B (PTP1B) with an IC50 value of 133.5 μM. Deoxyneocryptotanshinone can be used for Alzheimer's disease research[1][2].

  • CAS Number: 27468-20-8
  • MF: C19H22O3
  • MW: 298.376
  • Catalog: Phosphatase
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 468.0±45.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 251.0±25.2 °C

Varespladib methyl

Varespladib methyl is a selective inhibitor of group II secretory phospholipase A2 (PLA2).

  • CAS Number: 172733-08-3
  • MF: C22H22N2O5
  • MW: 394.42000
  • Catalog: Phospholipase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Andrastin A

Andrastin A meroterpenoid compound, is a farnesyltransferase inhibitor. Andrastin A inhibits the efflux of anticancer compounds from multidrug-resistant cancer cells. Andrastin A can be isolated from Penicillium species[1][2].

  • CAS Number: 174232-42-9
  • MF: C28H38O7
  • MW: 486.59700
  • Catalog: Farnesyl Transferase
  • Density: 1.19g/cm3
  • Boiling Point: 560.3ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 236.1ºC

KT203

KT203 is a potent and selective inhibitor of α/β-hydrolase domain containing 6 (ABHD6), with an IC50 of 0.31 nM in Neuro2A cells[1].

  • CAS Number: 1402612-64-9
  • MF: C28H26N4O3
  • MW: 466.53
  • Catalog: MAGL
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Ursodeoxycholic acid sodium

Ursodeoxycholic acid (Ursodeoxycholate) sodium is a secondary bile acid issued from the transformation of (cheno)deoxycholic acid by intestinal bacteria, acting as a key regulator of the intestinal barrier integrity and essential for lipid metabolism. Ursodeoxycholic acid sodium acts as signaling molecule, exerting its effects by interacting with bile acid activated receptors, including G-protein coupled bile acid receptor 5 (TGR5, GPCR19) and the farnesoid X receptor (FXR). Ursodeoxycholic acid sodium can be used for the research of a variety of hepatic and gastrointestinal diseases. Orally active[1][2].

  • CAS Number: 2898-95-5
  • MF: C24H39NaO4
  • MW: 414.554
  • Catalog: GPCR19
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

D-Tyrosine-d2

D-Tyrosine-d2 is the deuterium labeled D-Tyrosine. 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: 1202064-22-9
  • MF: C9H9D2NO3
  • MW: 183.20
  • Catalog: Tyrosinase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

TAS4464

TAS4464 is a highly potent and selective inhibitor of NEDD8 activating enzyme (NAE), with an IC50 of 0.955 nM[1].

  • CAS Number: 1848959-10-3
  • MF: C21H23FN6O6S
  • MW: 506.51
  • Catalog: NEDD8-activating Enzyme
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

6-Hydroxybenzbromarone

6-Hydroxybenzbromarone is the major metabolite of Benzbromarone with a longer half-life and greater pharmacological potency than the parent compound. 6-Hydroxybenzbromarone is a protein Eyes Absent 3 (EYA3) inhibitor with an IC50 value of 21.5 μM. 6-Hydroxybenzbromarone is an angiogenic agent, has strong inhibitory effects on cell migration, tubulogenesis, and angiogenic sprouting[1].

  • CAS Number: 152831-00-0
  • MF: C17H12Br2O4
  • MW: 440.08300
  • Catalog: Phosphatase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

2-Deoxy-D-glucose-13C-1

2-Deoxy-D-glucose-13C-1 is the 13C labeled 2-Deoxy-D-glucose. 2-Deoxy-D-glucose is a glucose analog that acts as a competitive inhibitor of glucose metabolism, inhibiting glycolysis via its actions on hexokinase[1][2].

  • CAS Number: 119897-50-6
  • MF: C6H12O5
  • MW: 165.14900
  • Catalog: HSV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Maraniol

7-Ethoxy-4-methylcoumarin is a coumarin derivative and can be used as a substrate probe of mammalian cytochromes P450 1A1, 2B4 and 2B6[1][2].

  • CAS Number: 87-05-8
  • MF: C12H12O3
  • MW: 204.222
  • Catalog: Cytochrome P450
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 351.4±37.0 °C at 760 mmHg
  • Melting Point: 114-116 °C(lit.)
  • Flash Point: 146.2±21.1 °C

α-lytic endopeptidase

From the myxobacterium Lysobacter enzymogenes. In peptidase family S1 (trypsin family) Reaction: Preferential cleavage: Ala┼, Val┼ in bacterial cell walls, elastin and other proteins

  • CAS Number: 37288-76-9
  • MF:
  • MW:
  • Catalog: Ser/Thr Protease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

PKR-IN-C51

PKR-IN-C51(compound 51) is an ATP-competitive double-stranded RNA-activated protein kinase (PKR) inhibitor with an IC50 of 9 μM. PKR-IN-C51 inhibits intracellular PKR activation in a dose-dependent manner in primary mouse macrophages[1].

  • CAS Number: 1314594-23-4
  • MF: C23H21N5
  • MW: 367.45
  • Catalog: Ser/Thr Protease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

trans-C75

C75 trans is an enantiomer of C75. C75 is a synthetic fatty-acid synthase (FASN) inhibitor; inhibits prostate cancer cells PC3 with an IC50 of 35 μM.

  • CAS Number: 191282-48-1
  • MF: C14H22O4
  • MW: 254.322
  • Catalog: Fatty Acid Synthase (FAS)
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 432.1±45.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 159.2±22.2 °C

CP671305

CP671305 is a potent, orally active, selective inhibitor of phosphodiesterase-4-D, and possesses high activities.

  • CAS Number: 445295-04-5
  • MF: C23H19FN2O7
  • MW: 454.405
  • Catalog: Phosphodiesterase (PDE)
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 664.1±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 355.4±31.5 °C

Vardenafil-d5

Vardenafil-d5 is deuterium labeled Vardenafil. Vardenafil is a selective, orally active, potent inhibitor of phosphodiesterase-5 (PDE5), with an IC50 of 0.7 nM. Vardenafil shows selectivity over PDE1 (180 nM), PDE6 (11 nM), PDE2, PDE3, and PDE4 (>1000 nM). Vardenafil competitively inhibits cyclic guanosine monophosphate (cGMP) hydrolysis and thus increases cGMP levels. Vardenafil can be used for the research of erectile dysfunction[1][2].

  • CAS Number: 1189685-70-8
  • MF: C23H27D5N6O4S
  • MW: 493.63
  • Catalog: Phosphodiesterase (PDE)
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 692.3±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 372.5±34.3 °C

PNU-103017

PNU-103017 is an HIV protease inhibitor.

  • CAS Number: 166335-18-8
  • MF: C28H28N2O5S
  • MW: 504.59700
  • Catalog: HIV
  • Density: 1.39g/cm3
  • Boiling Point: 738ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 400.1ºC

Tigulixostat

Tigulixostat is a novel (indolyl)heteroarylcarboxylate derivatives effective as non-purine selective xanthine oxidase inhibitor, which lowers the production of uric acid[1].

  • CAS Number: 1287766-55-5
  • MF: C16H14N4O2
  • MW: 294.31
  • Catalog: Xanthine Oxidase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

M435-1279

M435-1279 is a UBE2T inhibitor. M435-1279 acts inhibit the Wnt/β-catenin signaling pathway hyperactivation through blocking UBE2T-mediated degradation of RACK1[1].

  • CAS Number: 1359431-16-5
  • MF: C18H17N3O5S2
  • MW: 419.47
  • Catalog: E1/E2/E3 Enzyme
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

5-Hydroxyferulic acid

5-Hydroxyferulic acid is a hydroxycinnamic acid and is a metabolite of the phenylpropanoid pathway. 5-Hydroxyferulic acid is a precursor in the biosynthesis of sinapic acid and is also a COMT non-esterifed substrate[1][2][3].

  • CAS Number: 1782-55-4
  • MF: C10H10O5
  • MW: 210.18300
  • Catalog: COMT
  • Density: 1.44g/cm3
  • Boiling Point: 449.1ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 182.8ºC

Faldaprevir-d6

Faldaprevir-d6 is deuterium labeled Faldaprevir.

  • CAS Number: 2750534-88-2
  • MF: C40H43D6BrN6O9S
  • MW: 875.86
  • Catalog: HCV Protease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

(S)-Bromoenol lactone

(S)-Bromoenol lactone ((S)-BEL) is an irreversible, chiral, mechanism-based inhibitor of calcium-independent phospholipase A2β (iPLA2β) that inhibits the vasopressin-induced release of arachidonate from cultured rat aortic smooth muscle (A10) cells with an IC50 of 2 µM[1].

  • CAS Number: 478288-94-7
  • MF: C16H13BrO2
  • MW: 317.177
  • Catalog: Phospholipase
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 467.0±45.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 236.2±28.7 °C

CooP

CooP is a linear glioblastoma-targeting nonapeptide. CooP binds to the mammary-derived growth inhibitor/fatty acid binding protein 3 (FABP3) in the glioblastoma cells and its associated vasculature. CooP is used for the targeted delivery of chemotherapy and different nanoparticles[1].

  • CAS Number: 1192864-27-9
  • MF: C32H57N9O11S
  • MW: 775.91
  • Catalog: FABP
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Kongensin A

Kongensin A is a natural product isolated from Croton kongensis. Kongensin A is an effective, covalent HSP90 inhibitor that blocks RIP3-dependent necroptosishas. Kongensin A is a potent necroptosis inhibitor and an apoptosis inducer. Kongensin A has potential anti-necroptosis and anti-inflammation applications[1].

  • CAS Number: 885315-96-8
  • MF: C22H30O5
  • MW: 374.471
  • Catalog: Apoptosis
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 525.7±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 178.4±23.6 °C

Linagliptin-13C,d3

Linagliptin-13C,d3 is the 13C- and deuterium labeled. Linagliptin is a highly potent, selective DPP-4 inhibitor with IC50 of 1 nM.

  • CAS Number: 1398044-43-3
  • MF: C2413CH25D3N8O2
  • MW: 476.55
  • Catalog: Ferroptosis
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

KCL-286

Anticancer agent 168 is an orally active retinoic acid receptor (RAR/RXR) beta2 agonist with ameliorating effects on spinal cord injury (SCI)[1].

  • CAS Number: 1952276-71-9
  • MF: C19H14N2O4
  • MW: 334.33
  • Catalog: RAR/RXR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Galangin

Galangin is an agonist/antagonist of the arylhydrocarbon receptor, and also shows inhibition of CYP1A1 activity.

  • CAS Number: 548-83-4
  • MF: C15H10O5
  • MW: 270.237
  • Catalog: Autophagy
  • Density: 1.6±0.1 g/cm3
  • Boiling Point: 518.6±50.0 °C at 760 mmHg
  • Melting Point: 214-215 °C(lit.)
  • Flash Point: 202.0±23.6 °C