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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PF-05085727

PF-05085727 is a potent, selective and brain penetrant Phosphodiesterase 2A (PDE2A) inhibitor with an IC50 of 2 nM.

  • CAS Number: 1415637-72-7
  • MF: C20H18F3N7
  • MW: 413.40
  • Catalog: Phosphodiesterase (PDE)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Clomethiazole

Chlormethiazole is an potent and orally active GABAA agonist[1]. Chlormethiazole inhibits cytochrome P450 isoforms: CYP2A6 and CYP2E1 in human liver microsomes. Chlormethiazole is an anticonvulsant agent and has the potential for treating convulsive status epilepticus[2].

  • CAS Number: 533-45-9
  • MF: C6H8ClNS
  • MW: 198.11300
  • Catalog: GABA Receptor
  • Density: 1.218 g/cm3
  • Boiling Point: 245.8ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 102.4ºC

EC33

EC33 is a selective aminopeptidase A (APA) inhibitor. EC33 blocks the pressor response of exogenous Ang II. EC33 does not cross the blood-brain barrier. EC33 has the potential for salt-dependent model of hypertension research[1].

  • CAS Number: 232261-88-0
  • MF: C4H11NO3S2
  • MW: 185.265
  • Catalog: Aminopeptidase
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Phortress

Phortress is a high affinity AhR ligand that elicits antitumor activity by inducing transcription of CYP1A1[1][2].

  • CAS Number: 328087-38-3
  • MF: C20H25Cl2FN4OS
  • MW: 459.408
  • Catalog: Cytochrome P450
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

(S)-SBFI-26

(S)-SBFI-26 is the (S) enantiomer of SBFI-26, an anti-nociceptive agent binds to anandamide transporters FABP5 and FABP7. (S)-SBFI-26 has anti-nociceptive and anti-inflammatory effects[1].

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

Trandolapril D5

Trandolapril D5 (RU44570 D5) is a deuterium labeled Trandolapril (RU44570). Trandolapril is an orally active angiotensin converting enzyme (ACE) inhibitor for hypertension and congestive heart failure (CHF)[1].

  • CAS Number: 1356847-98-7
  • MF: C24H29D5N2O5
  • MW: 435.57
  • Catalog: Angiotensin-converting Enzyme (ACE)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

H-Leu-Trp-Met-Arg-OH

H-Leu-Trp-Met-Arg-OH is a tetrapeptide. H-Leu-Trp-Met-Arg-OH can be used as a substrate for aminopeptidase-mediated hydrolysis studies[1].

  • CAS Number: 67368-23-4
  • MF: C28H44N8O5S
  • MW: 604.76500
  • Catalog: Aminopeptidase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Ursodeoxycholic acid-13C

Ursodeoxycholic acid-13C is the 13C labeled Ursodeoxycholic acid. Ursodeoxycholic acid (Ursodeoxycholate) 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 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 can be used for the research of a variety of hepatic and gastrointestinal diseases. Orally active[1][2].

  • CAS Number: 63296-46-8
  • MF: C2313CH40O4
  • MW: 393.56
  • Catalog: GPCR19
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

BML-111

BML-111, a lipoxin A4 analog, is a lipoxin A4 receptor agonist. BML-111 represses the activity of angiotensin converting enzyme (ACE) and increases the activity of angiotensinconverting enzyme 2 (ACE2). BML-111 has antiangiogenic, antitumor and anti-inflammatory properties[1][2].

  • CAS Number: 78606-80-1
  • MF: C8H16O5
  • MW: 192.210
  • Catalog: Angiotensin-converting Enzyme (ACE)
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 360.8±42.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 143.5±21.4 °C

Acetazolamide

Acetazolamide sodium is the sodium salt of Acetazolamide. Acetazolamide is a carbonic anhydrase (CA) IX inhibitor with an IC50 of 30 nM for hCA IX. Acetazolamide has diuretic, antihypertensive and anti-gonococcal activities[1][4][5][6].

  • CAS Number: 1424-27-7
  • MF: C4H5N4NaO3S2
  • MW: 244.22700
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: 258-259ºC (EFFERVESCENCE)
  • Flash Point: N/A

Entacapone sodium salt

Entacapone is a specific, potent, peripherally acting catechol-O-methyltransferase (COMT) inhibitor with IC50 of 151 nM for PD treatment. IC50 Value: 151 nMTarget: COMTin vitro: Entacapone inhibits catechol-O-methyltransferase(COMT) with similar IC50 in different tissues including live, duodenum, kidney and lung, but entacapone is more active than tolcapone in those tissues. Entacapone (< 100 μM) is a potent inhibitor of α-syn and β-amyloid (Aβ) oligomerization and fibrillogenesis, and also protects against extracellular toxicity induced by the aggregation of both proteins in PC12 cells.in vivo: Levodopa/carbidopa/entacapone has been shown to improve the pharmacokinetic profile of levodopa and provide superior symptomatic control compared with conventional levodopa/dopa decarboxylase inhibitor therapy. We report four case histories describing clinical experience of using levodopa/carbidopa/entacapone 200/50/200 mg, one of the latest doses of this formulation, in a range of patients with Parkinson's disease. These cases illustrate that levodopa/carbidopa/entacapone 200/50/200 mg provides improvements in symptomatic control.Clinical trial: The combination product carbidopa/levodopa/entacapone (CLE) was approved in 2003 for the treatment of PD patients.

  • CAS Number: 1047659-02-8
  • MF: C14H14N3NaO5
  • MW: 327.26800
  • Catalog: COMT
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Coblopasvir

Coblopasvir (KW136, KW-136) is a novel HCV NS5A inhibitor under development for treatment of HCV infection. HCV Infection Phase 3 Clinical

  • CAS Number: 1312608-46-0
  • MF: C41H50N8O8
  • MW: 782.885
  • Catalog: HCV
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 1102.5±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 620.6±34.3 °C

h-NTPDase-IN-3

h-NTPDase-IN-3 (compound 4d) is a pan-inhibitor of NTPDase with IC50s of 34.13 μM (h-NTPDase1), 0.33 μM (h-NTPDase2), 23.21 μM (h-NTPDase3), 2.48 μM (h- NTPDase8).

  • CAS Number: 2939933-10-3
  • MF: C16H10N4S
  • MW: 290.34
  • Catalog: Phosphatase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Tosyl phenylalanyl chloromethyl ketone

TPCK (L-1-Tosylamido-2-phenylethyl chloromethyl ketone; L-TPCK) is a potent serine protease inhibitor that reacts with the retinoblastoma protein (RB)-binding core of HPV-18 E7 protein and abolish its RB-binding capability. TPCK is able to modify E7 protein in live keratinocytes following its addition to the culture medium[1].

  • CAS Number: 402-71-1
  • MF: C17H18ClNO3S
  • MW: 351.848
  • Catalog: Microtubule/Tubulin
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 509.9±60.0 °C at 760 mmHg
  • Melting Point: 106-108ºC(lit.)
  • Flash Point: 262.2±32.9 °C

Oprozomib (ONX 0912)

Oprozomib (ONX 0912; PR047) is an orally bioavailable inhibitor for CT-L activity of 20S proteasome β5/LMP7 with IC50 of 36 nM/82 nM.IC50 value: 36 nM/82 nM(20S proteasome β5/LMP7) [1]Target: 20S proteasomeThe anti-MM activity of Oprozomib is associated with activation of caspase-8, caspase-9, caspase-3, and PARP, as well as inhibition of migration of MM cells and angiogenesis. Oprozomib is demonstrated an absolute bioavailability of up to 39% in rodents and dogs. It is well tolerated with repeated oral administration at doses resulting in >80% proteasome inhibition in most tissues and elicited an antitumor response in multiple human tumor xenograft and mouse syngeneic models.

  • CAS Number: 935888-69-0
  • MF: C25H32N4O7S
  • MW: 532.609
  • Catalog: Autophagy
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 849.9±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 467.8±34.3 °C

ODM-204

ODM-204 is novel nonsteroidal dual inhibitor of both androgen receptor and CYP17A1 enzyme, with IC50s of 80 nM and 22 nM, respectively.

  • CAS Number: 1642818-64-1
  • MF: C20H21F3N4
  • MW: 374.40
  • Catalog: Cytochrome P450
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

JG-231

JG-231 is an allosteric inhibitor that disrupts the Hsp70-BAG3 interaction (Ki=0.11 uM), inhibits breast cancer cells MCF-7 and MDA-MB-231 with IC50 of 0.12 and 0.25 uM, respectively; reduces tumor burden in an MDA-MB-231 xenograft model (4 mg/kg, ip).

  • CAS Number: 1627126-59-3
  • MF: C22H18BrCl2N3OS4
  • MW: 619.45
  • Catalog: HSP
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Ginsenoside F4

Ginsenoside F4 (GF4), ginseng saponinis, isolated from notoginseng or red ginseng. Ginsenoside F4 (GF4) has inhibitory effect on human lymphocytoma JK cell by inducing its apoptosis[1].Ginsenoside F4 (GF4) inhibits matrix metalloproteinase 13 (MMP 13) expression in IL-1β-treated chondrocytes and blocks cartilage breakdown in rabbit cartilage tissue culture, shows therapeutic potential for preventing cartilage collagen matrix breakdown in diseased tissues[2].

  • CAS Number: 181225-33-2
  • MF: C42H70O12
  • MW: 766.998
  • Catalog: Apoptosis
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 851.6±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 468.9±34.3 °C

U73122

U-73122 is an inhibitor of phospholipase C (PLC), phospholipase A2, and 5-LO (5-lipoxygenase).

  • CAS Number: 112648-68-7
  • MF: C29H40N2O3
  • MW: 464.639
  • Catalog: 5-Lipoxygenase
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 617.1±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 327.0±31.5 °C

UK-371804

UK-371804 is a urokinase-type plasminogen activator (uPA) inhibitor with a Ki of 10 nM.

  • CAS Number: 256477-09-5
  • MF: C14H16ClN5O4S
  • MW: 385.823
  • Catalog: Ser/Thr Protease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Cathepsin L inhibitor III

Z-Phe-Tyr(tBu)-diazomethylketone is a potent cathepsin L inhibitor. Z-Phe-Tyr(tBu)-diazomethylketone mediates reovirus disassembly. Z-Phe-Tyr(tBu)-diazomethylketone decreases viral detection[1][2].

  • CAS Number: 114014-15-2
  • MF: C31H34N4O5
  • MW: 542.63
  • Catalog: SARS-CoV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

EA4

EA4, a derivative of quinone, is an inhibitor for both rPLA and cPLA. EA4 can inhibit rPLA2 with a Ki value of 130 μM. EA4 can be used for the research of hemostasis, thrombosis, and erythropoiesis[1].

  • CAS Number: 389614-94-2
  • MF: C19H17ClN2O2
  • MW: 340.803
  • Catalog: Phospholipase
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 508.3±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 261.2±30.1 °C

Azaleatin

Azaleatin is an O-methylated flavonol isolated from Rhododendron species. Azaleatin is a dipeptidyl peptidase-IV inhibitor. Azaleatin can be used for the research of type-2 diabetes and obesity[1][2].

  • CAS Number: 529-51-1
  • MF: C16H12O7
  • MW: 316.26200
  • Catalog: Dipeptidyl Peptidase
  • Density: 1.634g/cm3
  • Boiling Point: 657.3ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 250.2ºC

Doxycycline hyclate

Doxycycline (hyclate) is a tetracycline antibiotic and broad-spectrum metalloproteinase (MMP) inhibitor.

  • CAS Number: 24390-14-5
  • MF: C22H24N2O8.1/2C2H6O.ClH.1/2H2O
  • MW: 512.94
  • Catalog: MMP
  • Density: N/A
  • Boiling Point: 685.2ºC at 760 mmHg
  • Melting Point: 206-209?C (dec.)
  • Flash Point: 368.2ºC

HDAC/HSP90-IN-3

HDAC/HSP90-IN-3 (compound J5) is a potent and selective fungal Hsp90 and HDAC dual inhibitor, with IC50 values of 0.83 and 0.91 μM, respectively. HDAC/HSP90-IN-3 shows antifungal activity against azole resistant C. albicans. HDAC/HSP90-IN-3 can suppress important virulence factors and down-regulate drug-resistant genes ERG11 and CDR1[1].

  • CAS Number: 2700035-54-5
  • MF: C26H33N5O6
  • MW: 511.57
  • Catalog: Fungal
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Andolast

Andolast is an anti-allergic agent for the treatment of bronchial asthma, chronic obstructive pulmonary disease (COPD). Andolast inhibits dose dependently guinea-pig lung cAMP-phosphodiesterase with an IC50 of 50 mM.

  • CAS Number: 132640-22-3
  • MF: C15H11N9O
  • MW: 333.30800
  • Catalog: Phosphodiesterase (PDE)
  • Density: 1.551g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Diprotin A TFA (Ile-Pro-Pro (TFA))

Diprotin A (TFA) is an inhibitor of dipeptidyl peptidase IV (DPP-IV).

  • CAS Number: 209248-71-5
  • MF: C19H32F3N3O6
  • MW: 455.47
  • Catalog: Dipeptidyl Peptidase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

KRIBB11

KRIBB11 is an inhibitor of Heat shock factor 1 (HSF1), with IC50 of 1.2 μM.

  • CAS Number: 342639-96-7
  • MF: C13H12N6O2
  • MW: 284.273
  • Catalog: HSP
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 535.0±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 277.3±30.1 °C

Salvianolic acid A

Salvianolic acid A could protect the blood brain barrier through matrix metallopeptidase 9 (MMP-9) inhibition and anti-inflammation.

  • CAS Number: 96574-01-5
  • MF: C26H22O10
  • MW: 494.447
  • Catalog: MMP
  • Density: 1.6±0.1 g/cm3
  • Boiling Point: 858.7±65.0 °C at 760 mmHg
  • Melting Point: 164-167ºC
  • Flash Point: 292.9±27.8 °C

PF-3845

PF-3845 is a selective fatty acid amide hydrolase (FAAH) inhibitor (Ki = 0.23 μM); showing negligible activity against FAAH2.IC50 value: 0.23 uMTarget: FAAHPF-3845 selectively inhibits FAAH by carbamylating FAAH's serine nucleophile [1]. PF-3845 treated mice (10 mg/kg, i.p.) shows rapid and complete inactivation of FAAH in the brain, as judged by competitive activity-based protein profiling (ABPP) with the serine hydrolase-directed probe fluorophosphonate (FP)-rhodamine. PF-3845 shows a long duration of action up to 24 hour. PF-3845-treated mice also shows dramatic (>10-fold) elevation in brain levels of AEA and other NAEs (N-pamitoyl ethanolamine [PEA] and N-oleoyl ethanolamine [OEA]). FAAH is AEA-degrading enzyme fatty acid amide hydrolase. PF-3845 (1–30 mg/kg, oral administration [p.o.]) causes a dose dependent inhibition of mechanical allodynia with a minimum effective dose (MED) of 3 mg/kg (rats are analyzed at 4 hour post dosing with PF-3845). At higher doses (10 and 30 mg/kg), PF-3845 inhibits pain responses to an equivalent, if not greater, degree than the nonsteroidal anti-inflammatory drug naproxen (10mg/kg, p.o.) [1]. PF-3845 (10 mg/kg, i.p.) significantly reverses LPS-induced tactile allodynia, but doesn't modify paw withdrawal thresholds in the saline-injected paw [2].

  • CAS Number: 1196109-52-0
  • MF: C24H23F3N4O2
  • MW: 456.460
  • Catalog: FAAH
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 623.6±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 330.9±31.5 °C