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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EBPC

EBPC is a potent and selective aldose reductase inhibitor with an IC50 of 47 nM[1].

  • CAS Number: 4450-98-0
  • MF: C14H15NO4
  • MW: 261.27
  • Catalog: Aldose Reductase
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 479.8±45.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 244.0±28.7 °C

CCI-006

CCI-006 is a selective inhibitor and chemosensitizer of MLL-rearranged leukemia cells, by inhibits mitochondrial respiration resulting in insurmountable mitochondrial depolarization and a pro-apoptotic unfolded protein response (UPR) in a subset of MLL-r leukemia cells[1].

  • CAS Number: 292053-42-0
  • MF: C15H12N2O5S
  • MW: 332.33
  • Catalog: Mitochondrial Metabolism
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Arctigenin

Arctigenin is a lignan found in certain plants of the Asteraceae; it has shown antiviral and anticancer effects in glass; it is the aglycone of arctiin.IC50 value: Target: anticancer agentArctiin and its aglucone, arctigenin from the fruits of Arctium lappa L. showed potent in vitro antiviral activities against influenza A virus (A/NWS/33, H1N1) (IFV). Based on the data from time-of-addition experiments and on release tests of progeny viruses, arctigenin was assumed to interfere with early event(s) of viral replication after viral penetration into cells, and to suppress the release of progeny viruses from the host cells [1]. arctigenin treatment reduced viability of bladder cancer T24 cells in a dose- and time-dependent manner after treatment with arctigenin (10, 20, 40, 80, and 100 μmol/L) for 24 hr and 48 hr. Arctigenin treatment clearly arrested tumor cells in the G1 phase of the cell cycle. At the molecular level, arctigenin treatment decreased cyclin D1 expression, whereas CDK4 and CDK6 expression levels were unaffected. Moreover, arctigenin selectively altered the phosphorylation of members of the MAPK superfamily, decreasing phosphorylation of ERK1/2 and activated phosphorylation of p38 significantly in a dose-dependent manner [2]. The use of arctigenin has been shown to be effective in a mouse model of Japanese encephalitis [3].

  • CAS Number: 7770-78-7
  • MF: C21H24O6
  • MW: 372.412
  • Catalog: Autophagy
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 567.0±45.0 °C at 760 mmHg
  • Melting Point: 100 °C
  • Flash Point: 198.8±22.2 °C

Alminoprofen

Alminoprofen (EB-382) is a nonsteroidal anti-inflammatory drug (NSAID) of the phenylpropionic acid class. Alminoprofen possesses a dual anti-inflammatory action, by inhibiting both secretory phospholipase A2 (sPLA2) and COX-2[1].

  • CAS Number: 39718-89-3
  • MF: C13H17NO2
  • MW: 219.28000
  • Catalog: COX
  • Density: 1.107g/cm3
  • Boiling Point: 373.1ºC at 760 mmHg
  • Melting Point: 107°
  • Flash Point: 179.4ºC

Cetraxate HCl

Cetraxate hydrochloride (DV-1006), an orally active anti-ulcer agent with mucosal protective effects, can be used for gastric ulcers research[1]. Cetraxate hydrochloride is a potent acrosomal proteinase acrosin inhibitor with a Ki and an IC50 of 0.94 μM and 3.3 μM, respectively[2].

  • CAS Number: 27724-96-5
  • MF: C17H24ClNO4
  • MW: 341.83000
  • Catalog: Ser/Thr Protease
  • Density: 1.182g/cm3
  • Boiling Point: 480.9ºC at 760mmHg
  • Melting Point: 238-240ºC
  • Flash Point: 244.6ºC

BMS 795311

BMS-795311 is a potent and orally available CETP inhibitor with IC50 of 3.8 nM, inhibits cholesteryl ester (CE) transfer with IC50 of 0.22 uM; inhibits CE transfer activity at an oral dose of 1 mg/kg in human CETP/apoB-100 dual transgenic mice and increased HDL cholesterol content and size comparable to Torcetrapib in moderately-fat fed hamsters.

  • CAS Number: 939390-99-5
  • MF: C33H23F10NO3
  • MW: 671.525
  • Catalog: CETP
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 620.1±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 328.8±31.5 °C

Chrysophanol 8-O-glucoside

Chrysophanol 8-O-glucoside, from the roots of Rumex acetosa, shows moderate elastase inhibition activity[1].

  • CAS Number: 13241-28-6
  • MF: C21H20O9
  • MW: 416.378
  • Catalog: Elastase
  • Density: 1.6±0.1 g/cm3
  • Boiling Point: 763.2±60.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 272.8±26.4 °C

MRL-871

MRL-871 (compound 3) is a potent and allosteric retinoic acid receptor-related orphan receptor γt (RORγt) inverse agonists with an IC50 of 12.7 nM. MRL-871 has a distinct isoxazole chemotype and effectively reduces IL-17a mRNA production in EL4 cells[1].

  • CAS Number: 1392809-08-3
  • MF: C22H12ClF3N2O3
  • MW: 444.7904896
  • Catalog: ROR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

KY-226

KY-226 (KY226) is a potent, allosteric, orally active inhibitor of protein tyrosine phosphatase 1B (PTP1B) with IC50 of 0.28 uM (human PTP1B), does not exhibit PPARγ agonist activity; shows no effects on adipocyte differentiation in rodent preadipocytes at 10 uM, bot not the PPARγ agonist pioglitazone; increases the phosphorylated insulin receptor (pIR) produced by insulin in human hepatoma-derived cells (HepG2) at 0.310 uM, significantly reduces plasma glucose and triglyceride levels as well as hemoglobin A1c values without increasing body weight gain in db/db mice, exerts anti-diabetic and anti-obesity effects by enhancing insulin and leptin signaling.

  • CAS Number: 1621673-53-7
  • MF: C27H31NO3S2
  • MW: 481.669
  • Catalog: Phosphatase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Alacepril

Alacepril (Cetapril) is an orally active angiotensin converting enzyme (ACE) inhibitor with long lasting antihypertensive effect[1].

  • CAS Number: 74258-86-9
  • MF: C20H26N2O5S
  • MW: 406.49600
  • Catalog: Angiotensin-converting Enzyme (ACE)
  • Density: 1.281g/cm3
  • Boiling Point: 679.1ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 364.5ºC

cis-Ferulic acid 4-O-β-D-glucopyranoside

cis-Ferulic acid 4-O-β-D-glucopyranoside (compound 7) is a phenolic glycosid, which can be isolated from Nitraria sibirica.. cis-Ferulic acid 4-O-β-D-glucopyranoside exhibits antioxidant activity and potent inhibitory effect on Phosphatase PTP1B[1].

  • CAS Number: 94942-20-8
  • MF: C16H20O9
  • MW: 356.32
  • Catalog: Phosphatase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Finasteride acetate

Finasteride (acetate) is an orally active testosterone 5-alpha-reductase inhibitor. Target: 5-alpha ReductaseApproved: 1992Finasteride (acetate) is the acetate salt of finasteride which is a synthetic 4-azasteroid antiandrogen compound, is a specific inhibitor of steroid Type II 5α-reductase, an intracellular enzyme that converts the androgen testosterone into 5α-dihydrotestosterone (DHT). Finasteride is used in the treatment of prostate cancer, benign prostatic hyperplasia, and androgenetic alopecia (male pattern baldness). In benign prostatic hyperplasia, finasteride inhibits 5alpha-reductase activity in epithelium for Ki of 10nM, significantly lower than in stroma (Ki = 33nM) [1].

  • CAS Number: 222989-99-3
  • MF: C25H40N2O4
  • MW: 432.596
  • Catalog: 5 alpha Reductase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Ixazomib (MLN2238)

Ixazomib (MLN2238) is a selective, potent, and reversible proteasome inhibitor, which inhibits the chymotrypsin-like proteolytic (β5) site of the 20S proteasome with an IC50 of 3.4 nM (Ki of 0.93 nM).

  • CAS Number: 1072833-77-2
  • MF: C14H19BCl2N2O4
  • MW: 361.029
  • Catalog: Autophagy
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Lp-PLA2-IN-2

Lp-PLA2-IN-2 is a potent and selective lipoprotein-associated phospholipase A2 (Lp-PLA2) inhibitor, with an IC50 0f 120 nM for recombinant human Lp-PLA2[1].

  • CAS Number: 2071636-15-0
  • MF: C19H23FN2O4S
  • MW: 394.46
  • Catalog: Phospholipase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

ZC0101

ZC0101 is a potent, orally active IDO1 and TrxR dual inhibitor with IC50 values of 0.084 μM and 7.98 μM, respectively. ZC0101 effectively induces apoptosis and ROS accumulation in cancer cells[1].

  • CAS Number: 2541604-52-6
  • MF: C17H15N3O2
  • MW: 293.32
  • Catalog: Apoptosis
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

SB-435495

SB-435495 is a potent, orally active inhibitor of Lp-PLA2 with IC50 of 0.06 nM; inhibits the enzyme in whole human plasma with IC50 of 3 nM; shows little interaction with other CYP450 enzymes (CYP450 IC50: 1A2>100 mM, 2C9>100 uM, 2C19>40 uM, 2D6=37 uM); effectively suppresses BRB breakdown in streptozotocin-diabetic Brown Norway rats,. Atherosclerosis Phase 2 Discontinued

  • CAS Number: 304694-39-1
  • MF: C38H40F4N6O2S
  • MW: 720.822
  • Catalog: Phospholipase
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 793.9±70.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 433.9±35.7 °C

Regdanvimab

Regdanvimab (CT-P59) is a human monoclonal antibody that targets the receptor-binding domain of SARS-CoV-2 spike protein, blocking interaction with ACE2 for viral entry. Regdanvimab can be used for the research of COVID-19[1].

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

Naringin

Naringin is a major flavanone glycoside obtained from tomatoes, grapefruits, and many other citrus fruits. Naringin exhibits biological properties such as antioxidant, anti-inflammatory, and antiapoptotic activities.

  • CAS Number: 10236-47-2
  • MF: C27H32O14
  • MW: 580.53
  • Catalog: Autophagy
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 928.1±65.0 °C at 760 mmHg
  • Melting Point: 166 °C
  • Flash Point: 308.5±27.8 °C

U-104

U-104 is a potent carbonic anhydrase (CA) inhibitor for CA IX and CA XII with Ki of 45.1 nM and 4.5 nM; low inhibition for CA I and CA II.IC50 value: 45.1 nM/4.5 nM(Ki, CA IX/CA XII) [1]Target: Carbonic anhydrase inhibitorin vitro: U-104 (50 μM) blocks the mesenchymal phenotype in the cancer stem cells population in hypoxia condition of 4T1 cells. U-104 (<50 μM) significantly reduces migration in a dose-dependent manner in metastatic MDA-MB-231 LM2-4Luc+ cells , with cells growing as compact colonies similar to parental MDA-MB-231 cells [2]. in vivo: U-104 (38 mg/kg) inhibits primary tumor growth in the mice implanted orthotopically with MDA-MB-231 LM2-4Luc+ cells. U-104 (19 mg/kg) inhibits metastases formation in the 4T1 experimental metastasis mice model [1]. U-104 (38 mg/kg) significantly delay primary tumor growth and reduces cancer stem cell population in NOD/SCID mice orthotopically implanted with MDA-MB-231 LM2-4Luc+ cells. U-104 (5 mg/mL, oral gavage) shows a significant delay in tumor growth in Balb/c mice orthotopically implanted with 4T1 cells [2].

  • CAS Number: 178606-66-1
  • MF: C13H12FN3O3S
  • MW: 309.316
  • Catalog: Carbonic Anhydrase
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: 242-243℃
  • Flash Point: N/A

Enalapril

Enalapril is an angiotensin converting enzyme (ACE) inhibitorTarget: ACEEnalapril belongs to a class of medications called angiotensin converting enzyme inhibitors. Normally angiotensin I is converted to angiotensin II by angiotensin converting enzyme (ACE). Angiotensin II constricts blood vessels, increasing blood pressure. By inhibiting ACE, Enalapril decreases levels of angiotensin II leading to less vasoconstriction and decreased blood pressure.

  • CAS Number: 75847-73-3
  • MF: C20H28N2O5
  • MW: 376.447
  • Catalog: Angiotensin-converting Enzyme (ACE)
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 582.3±50.0 °C at 760 mmHg
  • Melting Point: 143-144.5ºC
  • Flash Point: 306.0±30.1 °C

LXR agonist 1

LXR (Liver X receptor) agonist 1 is potent LXR agonist with AC50s of 1.5 nM and 12 nM for LXR-α and LXR-β, respectively. LXR agonist 1 has the potential for the research of atherosclerosis[1].

  • CAS Number: 1779524-90-1
  • MF: C27H26F3N3O3S
  • MW: 529.57
  • Catalog: LXR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Robustine

Robustine, a furoquinoline alkaloid, from Dictamnus albus, exhibits inhibitory potency against human phosphodiesterase 5 (hPDE5A) in vitro[1].

  • CAS Number: 2255-50-7
  • MF: C12H9NO3
  • MW: 215.205
  • Catalog: Phosphodiesterase (PDE)
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 411.9±40.0 °C at 760 mmHg
  • Melting Point: 148-149℃ (ethanol )
  • Flash Point: 202.9±27.3 °C

DL-4-Chlorophenylalanine

Fenclonine is a pharmaceutical intermediate.

  • CAS Number: 7424-00-2
  • MF: C9H10ClNO2
  • MW: 199.634
  • Catalog: Tryptophan Hydroxylase
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 339.5±32.0 °C at 760 mmHg
  • Melting Point: >240 °C (dec.)(lit.)
  • Flash Point: 159.1±25.1 °C

IDF-11774

IDF-11774 is a novel hypoxia-inducible factor (HIF)-1 inhibitor with an IC50 of 3.65 μM. IDF-11774 has been approved as a clinical candidate for a phase I study.

  • CAS Number: 1429054-28-3
  • MF: C23H32N2O2
  • MW: 368.51
  • Catalog: HIF/HIF Prolyl-Hydroxylase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Darapladib

Darapladib is a potent inhibitor of lipoprotein-associated phospholipase A2 (Lp-PLA2) with IC50 of 0.25 nM.

  • CAS Number: 356057-34-6
  • MF: C36H38F4N4O2S
  • MW: 666.771
  • Catalog: Phospholipase
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 741.0±70.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 401.9±35.7 °C

hCAIX/XII-IN-8

hCAIX/XII-IN-8 (compound 3g) is a potent human (carbonic anhydrase) CA IX and XII inhibitor, with Ki values of 8.5 and 6.7 nM, respectively. hCAIX/XII-IN-8 shows particularly strong inhibitory activity against the tumor-associated membrane-bound isoforms, hCA IX and XII, while maintaining a high selectivity ratio over cytosolic off-target isoforms hCA I and II[1].

  • CAS Number: 59994-64-8
  • MF: C16H13Cl2N5O3S
  • MW: 426.28
  • Catalog: Carbonic Anhydrase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

LY135305

LY 135305 is a thrombin activation inhibitor. LY 135305 inhibits spontaneous metastasis and increases animal survival[1].

  • CAS Number: 123199-75-7
  • MF: C19H20ClN
  • MW: 297.82200
  • Catalog: Thrombin
  • Density: N/A
  • Boiling Point: 408.4ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 195ºC

JTZ-951 hydrochloride

A novel potent, orally active HIF prolyl hydroxylase (PHD) inhibitor with IC50 of 0.22 uM for PHD2; increases EPO release from Hep3B cells with EC50 of 5.7 uM, increases hemoglobin levels in rats. Anemia Phase 2 Clinical

  • CAS Number: 1262131-60-1
  • MF: C17H17ClN4O4
  • MW: 376.797
  • Catalog: HIF/HIF Prolyl-Hydroxylase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

CC122

CC-122 is a novel agent for DLBCL with antitumor and immunomodulatory activity.CC-122 binds CRBN and degrades Aiolos and Ikaros resulting in a mimicry of IFN signaling and apoptosis in DLBCL.In vitro: CC122 inhibits proliferation and induces apoptosis in ABC and GCB DLBCL. In DLBCL cell lines, CC122-induced degradation or short hairpin RNA-mediated knockdown of Aiolos and Ikaros correlates with increased transcription of interferon (IFN)-stimulated genes independent of IFN-α, -β, and -γ production and/or secretion and results in apoptosis in both activated B-cell (ABC) and germinal center B-cell DLBCL.[1]In vivo: Treatment of female CB-17 SCID mice with CC122 at 3 or 30 mg/kg once daily significantly decreased tumor growth in OCI-LY10 ABC-DLBCL (P = .028 and P < .001, respectively) and WSU-DLCL2 GCB-DLBCL derived xenograft models (P < .01) compared with the vehicle control. In a separate study, we assessed the ability of CC122 to promote degradation of Ikaros and Aiolos in vivo. In the 21-day efficacy study of WSU-DLCL2 xenograft transplanted mice, tumors were excised 1, 6, or 24 hours post final dosing. Aiolos and Ikaros expression was interrogated through immunohistochemistry (IHC) and was found to be decreased 64% and 30%, respectively, compared with vehicle within 1 hour of treatment, with a maximal reduction of 94% and 69%, respectively, observed at 6 hours. Aiolos and Ikaros levels partially recovered 24 hours postdosing with protein level within 20% and 34% of vehicle, respectively. The 24-hour postdose Aiolos and Ikaros expression represents the trough compound level following multiple doses of CC122. When the 1-hour time point is compared with the 24-hour postdose time point, there is a significant reduction in Aiolos but not Ikaros expression; however, at the 6-hour time point, both transcription factors are significantly different from the 24-hour time point. Taken together, these data reveal that CC122 inhibited DLBCL tumor growth in vivo and that this activity was associated with the degradation of Aiolos and Ikaros in both ABC- and GCB-DLBCL xenograft models.[1]"Mice[1]Female SCID mice (CB17/Icr-Prkdcscid, Charles River) were 8 weeks old, with body weights ranging from 15.0 to 23.2 g, on day 1 of these studies. Each SCID mouse was injected subcutaneously in the right flank with 5x106 OCI-LY10 cells (0.2 ml cell suspension). Tumors were calipered in two dimensions to monitor growth as their mean volume approached 100–150 mm3. Fourteen days (WSU-DLCL2) or twenty-one days (OCI-LY10) after tumor cell implantation, mice were sorted into treatment groups (n=10/group). Tumors were callipered twice weekly during the study. CC122 was suspended in 0.5% carboxymethyl cellulose: 0.25% Tween-80 in de-ionized water. Vehicle and CC122 were each administered via oral gavage (p.o.) once daily for twenty-eight days (qd x28). [1]

  • CAS Number: 1015474-32-4
  • MF: C14H14N4O3
  • MW: 286.28600
  • Catalog: E1/E2/E3 Enzyme
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Myricetin 3-O-galactoside

Myricetin 3-O-galactoside, isolated from the leaves of Myrtus communis, inhibits xanthine oxidase (XO) activity, lipid peroxidation and scavenges the free radical. Myricetin 3-O-galactoside inhibits lipid peroxidation with an IC50 of 160 μg/mL. Antioxidant activity[1].

  • CAS Number: 15648-86-9
  • MF: C21H20O13
  • MW: 480.376
  • Catalog: Xanthine Oxidase
  • Density: 2.0±0.1 g/cm3
  • Boiling Point: 957.8±65.0 °C at 760 mmHg
  • Melting Point: 198-201℃
  • Flash Point: 334.9±27.8 °C