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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NR1H4 activator 1

NR1H4 activator 1 is a potent and selective Famesoid X Receptor (FXR) agonist, extracted from patent WO2018152171A1, example 4. NR1H4 activator 1 shows strong FXR agonistic potency with a EC50 value of 1 nM in a Human FXR (NR1H4) Assay. NR1H4 activator 1 has the potential for treatment of gastrointestinal disease[1].

  • CAS Number: 2242855-68-9
  • MF: C34H53NO7S
  • MW: 619.85
  • Catalog: FXR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Anticancer agent 121

Anticancer agent 121, an inhibitor of human lactate dehydrogenase A enzyme (hLDHA), has good anticancer activities and can be used for anticancer research[1].

  • CAS Number: 2924532-47-6
  • MF: C19H18N2O3S
  • MW: 354.42
  • Catalog: Lactate Dehydrogenase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

FR-229934

FR-229934 is a PDE V inhibitor extracted from patent WO2019130052A1. FR-229934 can be used for the research of pulmonary arterial hypertension and erectile dysfunction[1].

  • CAS Number: 799841-02-4
  • MF: C21H23Cl2N3O3S
  • MW: 468.39700
  • Catalog: Phosphodiesterase (PDE)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Hippuryl-His-Leu-OH

Hippuryl-His-Leu-OH is a substrate for detecting the activity of angiotensin I converting enzyme. The His-Leu released by Hippuryl-His-Leu-OH can react with o-phtbaldialdehyde or Fluorescamine (HY-D0715) for fluorescence detection[1][2][3].

  • CAS Number: 31373-65-6
  • MF: C21H27N5O5
  • MW: 429.47000
  • Catalog: Angiotensin-converting Enzyme (ACE)
  • Density: 1.283 g/cm3
  • Boiling Point: 912.4ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 505.6ºC

CRA-2059

CRA-2059 is a highly specific and selective tryptase inhibitor, with a Ki of 620 pM for recombinant human tryptase-β (rHTβ)[1][2].

  • CAS Number: 256649-36-2
  • MF: C34H46N12O8
  • MW: 750.80
  • Catalog: Ser/Thr Protease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Norbraylin

Norbraylin, a natural prenylated coumarin, is a PDE4D2 inhibitor with an IC50 value of 7.15 μM[1].

  • CAS Number: 60796-64-7
  • MF: C14H12O4
  • MW: 244.243
  • Catalog: Phosphodiesterase (PDE)
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 471.1±45.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 185.2±22.2 °C

2-Pyrrolidinecarboxamide, N-[(1S)-3-(cyclopropylamino)-2,3-dioxo-1-(phenylmethyl)propyl]-5-oxo-1-(phenylmethyl)-, (2R)-

(1S,2R)-Alicapistat ((1S,2R)-ABT-957) is an orally active selective inhibitor of human calpains 1 and 2 for the potential application of Alzheimer's disease (AD)[1]. (1S,2R)-Alicapistat mitigates the metabolic liability of carbonyl reduction and inhibits calpain 1 with an IC50 value of 395 nM[2].

  • CAS Number: 2221010-57-5
  • MF: C25H27N3O4
  • MW: 433.50
  • Catalog: Proteasome
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

TMP780

TMP780 is an inverse agonist of RORγt with an IC50 of 13 nM. RORγt is a tractable drug target for the treatment of cutaneous inflammatory disorders[1].

  • CAS Number: 1422053-03-9
  • MF: C31H30N2O4
  • MW: 494.58
  • Catalog: ROR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Dihydrolanosterol-d7

Dihydrolanosterol-d7 is deuterium labeled Dihydrolanosterol. Dihydrolanosterol is a subtrate of CYP51 and a cholesterol biosynthesis inhibitor[1].

  • CAS Number: 2260669-12-1
  • MF: C30H45D7O
  • MW: 435.78
  • Catalog: Cytochrome P450
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

6-Methoxytricin

6-Methoxytricin (Compound 6) is an flavonoid isolated from Artemisia iwayomogi. 6-Methoxytricin (Compound 6) is an inhibitor on aldose reductase (AR) and advanced glycation endproduct (AGE) formation activities with IC50 values of 30.29 μM and 134.88 μM, respectively. 6-Methoxytricin (Compound 6) has potential as an anti-diabetic complications agent[1].

  • CAS Number: 76015-42-4
  • MF: C18H16O8
  • MW: 360.31500
  • Catalog: Aldose Reductase
  • Density: N/A
  • Boiling Point: 641.7±55.0 °C
  • Melting Point: 238-240 °C
  • Flash Point: N/A

Ginkgolic acid C15:1

Ginkgolic Acid is a natural compound with suspected cytotoxic, allergenic, mutagenic and carcinogenic properties, and it can inhibit protein SUMOylation both in vitro and in vivo without affecting in vivo ubiquitination.

  • CAS Number: 22910-60-7
  • MF: C22H34O3
  • MW: 346.504
  • Catalog: E1/E2/E3 Enzyme
  • Density: 1.0±0.1 g/cm3
  • Boiling Point: 492.1±40.0 °C at 760 mmHg
  • Melting Point: 136-137ºC
  • Flash Point: 265.5±23.8 °C

4,5-Dimethoxycanthin-6-one

4,5-Dimethoxycanthin-6-one is a potent and uncompetitive inhibitor of CYP1A2-mediated phenacetin O-deethylation with an IC50 value of 1.7μM and a Ki value of 2.6 μM. 4,5-Dimethoxycanthin-6-one, as an alkaloid, is isolated from the wood of Picrasma quassioides BENNET (Simaroubaceae)[1][2].

  • CAS Number: 18110-87-7
  • MF: C16H12N2O3
  • MW: 280.278
  • Catalog: Cytochrome P450
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 455.1±45.0 °C at 760 mmHg
  • Melting Point: 145-146 °C
  • Flash Point: 229.0±28.7 °C

PF-06840003

PF-06840003 is a highly selective orally bioavailable IDO-1 inhibitor.

  • CAS Number: 198474-05-4
  • MF: C12H9FN2O2
  • MW: 232.21000
  • Catalog: Indoleamine 2,3-Dioxygenase (IDO)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

FASN-IN-5

FASN-IN-5 (example 11), a FASN inhibitor, can be used for the research of TH17- or CSF1 -mediated disease or disorder such as cancer, immunological disorders, and obesity[1].

  • CAS Number: 1309805-49-9
  • MF: C29H26N4O2
  • MW: 462.54
  • Catalog: Fatty Acid Synthase (FAS)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

hCAII-IN-2

hCAII-IN-2 (Compound 11f) is a cytosolic human carbonic anhydrase (hCA) inhibitor with Ki values of 261.4, 3.8, 19.6 and 45.2 nM against hCA I, hCA II, hCA IX and hCA XII, respectively[1].

  • CAS Number: 2408599-78-8
  • MF: C25H18ClN5O4S
  • MW: 519.96
  • Catalog: Carbonic Anhydrase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Apixaban-13C,d3

Apixaban 13CD3 (BMS-562247-01 13CD3) is a deuterium labeled Apixaban. Apixaban is a highly selective, reversible inhibitor of Factor Xa with Ki of 0.08 nM and 0.17 nM in human and rabbit, respectively[1].

  • CAS Number: 1261393-15-0
  • MF: C2413CH22D3N5O4
  • MW: 463.508
  • Catalog: Factor Xa
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

rac-Sitagliptin-d4 hydrochloride

(Rac)-Sitagliptin-d4((Rac)-MK-0431-d4) hydrochloride is a labelled racemic Sitagliptin. Sitagliptin (MK-0431) hydrochloride is a potent inhibitor of DPP4 with an IC50 of 19 nM in Caco-2 cell extracts[1].

  • CAS Number: 1620233-77-3
  • MF: C16H12D4ClF6N5O
  • MW: 411.34
  • Catalog: Autophagy
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Viscumneoside III

Viscumneoside III, a dihydroflavone O-glycoside, is a potent tyrosinase inhibitor with an IC50 of 0.5 mM. Viscumneoside III has anti-angina pectoris[1].

  • CAS Number: 118985-27-6
  • MF: C27H32O15
  • MW: 596.53400
  • Catalog: Tyrosinase
  • Density: 1.69g/cm3
  • Boiling Point: 955.4ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 316.6ºC

MMP2-IN-1

MMP2-IN-1 is a moderate potenet MMP2 inhibitor with IC50 of 6.8 µM. MMP2-IN-1 exhibits remarkable antiproliferative activity in certain cancer cells by arresting the cell cycle and inducing apoptosis[1].

  • CAS Number: 2764598-01-6
  • MF: C15H13NO5S
  • MW: 319.33
  • Catalog: Apoptosis
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Palmitic acid-d4-1

Palmitic acid-d4-1 is the deuterium labeled Palmitic acid. Palmitic acid is a long-chain saturated fatty acid commonly found in both animals and plants. PA 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][3].

  • CAS Number: 75736-47-9
  • MF: C16H28D4O2
  • MW: 260.45
  • Catalog: HSP
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

EN40

ALDH3A1 inhibitor EN40 is a potent and selective, covalent, in vivo-active inhibitor of ALDH3A1 with IC50 of 2 uM, demonstrates no activity against ALDH1A3 and ALDH6A1 at 30 uM; also does not show any observable competition against lysine-reactive probe labeling of A549 proteomes; specifically inhibits the lung cancer cell lines expressing ALDH3A1, but not in the cell lines that do not express ALDH3A1, inhibits ALDH3A1 activity and impairs lung cancer pathogenicity in vivo.

  • CAS Number: 2094547-67-6
  • MF: C13H15NO2
  • MW: 217.268
  • Catalog: Aldehyde Dehydrogenase (ALDH)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

H-Glu(Tyr-OH)-OH

γ-Glu-Tyr, a competitive inhibitor of dipeptidyl peptidase-IV (DPP-IV) (IC50=6.77 mM), is a potentially functional component of the type 2 diabetes diet[1].

  • CAS Number: 7432-23-7
  • MF: C14H18N2O6
  • MW: 310.30
  • Catalog: Dipeptidyl Peptidase
  • Density: 1.414g/cm3
  • Boiling Point: 690.4ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 371.3ºC

TLK117

TLK117, the active metabolite of TLK199, selective inhibits Glutathione S-transferase P1–1 (GSTP1-1) with a Ki of 0.4 μM for GSTP. TLK117 also competitively inhibits glyoxalase I with a Ki of 0.56 μM.

  • CAS Number: 152684-53-2
  • MF: C23H27N3O6S
  • MW: 473.54
  • Catalog: Gutathione S-transferase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

BC11 hydrobromide

BC-11 hydrobromide is a selective TMPRSS2 inhibitor (TMPRSS2 is a key host cellular factor for viral entry and SARS-CoV-2 pathogenesis), and a selective urokinase (uPA) inhibitor (IC50=8.2 μM). BC-11 hydrobromide is cytotoxic to triple-negative MDA-MB231 breast cancer cells. BC-11 hydrobromide is used in research on viral infections and cancer[1][2][3].

  • CAS Number: 443776-49-6
  • MF: C8H12BBrN2O2S
  • MW: 290.97
  • Catalog: SARS-CoV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Ac-Pro-Leu-Gly-[(S)-2-mercapto-4-methyl-pentanoyl]-Leu-Gly-OEt

Ac-Pro-Leu-Gly-[(S)-2-mercapto-4-methyl-pentanoyl]-Leu-Gly-OEt is a MMP12 substrate, and can be used to detect MMP12 enzyme activity[1].

  • CAS Number: 98992-65-5
  • MF: C31H53N5O8S
  • MW: 655.846
  • Catalog: MMP
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 893.7±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 494.3±34.3 °C

Aderamastat

Aderamastat (FP-025) is an orally active matrix metalloproteinase 12 (MMP-12) inhibitor. Aderamastat can be used for the research of asthma, chronic obstructive pulmonary disease (COPD), and pulmonary fibrosis[1].

  • CAS Number: 877176-23-3
  • MF: C21H18N2O4S
  • MW: 394.44
  • Catalog: MMP
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Cbl-b-IN-3

Cbl-b-IN-3 (Compound 23) is a casitas B-lineage lymphoma proto-oncogene-b (Cbl-b) inhibitor with an IC50 of < 1 nM. Cbl-b is an E3 ubiquitin ligase that negatively regulates T-cell activation[1].

  • CAS Number: 2573775-59-2
  • MF: C30H34F3N5O
  • MW: 537.62
  • Catalog: E1/E2/E3 Enzyme
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Isopedicin

Isopedicin potently and concentration-dependently inhibits superoxide anion (O2 U?) production in formyl-L-methionyl-L-leucyl-L-phenylalanine (FMLP)-activated cells. Isopedicin increases cAMP formation and PKA activity in FMLP-activated cells by inhibiting phosphodiesterase (PDE) activity[1].

  • CAS Number: 4431-42-9
  • MF: C18H18O6
  • MW: 330.33
  • Catalog: Phosphodiesterase (PDE)
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 552.9±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 202.8±23.6 °C

MY33-3

MY33-3 is a small-molecule inhibitor of RPTPβ/ζ (PTPRZ1) with IC50 of 0.1 uM, significantly increases the phosphorylation of key tyrosine residues of RPTPβ/ζ substrates involved in neuronal survival and differentiation; blocks ethanol conditioned place preference, shows limited effects on ethanol-induced ataxia, and potentiates the sedative effects of ethanol in mice; increases levels of phosphorylated ALK and TrkA in neuroblastoma cells, modulates signaling pathways activated by alcohol.

  • CAS Number: 2204280-41-9
  • MF: C16H13F6NS2
  • MW: 397.397
  • Catalog: Phosphatase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Ganoderic acid GS-1

Ganoderic acid GS-1, a highly oxygenated lanostane-type triterpenoid, has anti-HIV-1 protease activities with an IC50 of 58 μM[1].

  • CAS Number: 1206781-64-7
  • MF: C30H42O6
  • MW: 498.7
  • Catalog: HIV Protease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A