Metabolism

<p>BMS-986339: oral, potent FXR agonist; binds to His298/ASN287; for PBC, PSC, NASH, anti-fibrosis research.</p>

<p>FXIa-IN-9, a potent FXIa inhibitor (K i : human 0.17 nM, rabbit 0.5 nM), forms hydrogen bonds and has anticoagulant properties.</p>

<p>L-Sepiapterin aids in making BH4, a coenzyme essential for eNOS, enhancing artery function and angiogenesis, while suppressing ovarian cancer cell growth.</p>

<p>ZK824859 hydrochloride: oral uPA inhibitor with IC50 of 79 nM (uPA), 1580 nM (tPA), 1330 nM (fibrin).</p>

<p>(E)-10-Hydroxy Nortriptyline maleate, a derivative of antidepressant Nortriptyline, eases depression symptoms.</p>

<p>Casein kinase1δ-IN-25 (compound 487) is a potent inhibitor of casein kinase1δ. It is applicable in research on neurodegenerative diseases such as Alzheimer's disease.</p>

<p>RXR antagonist 2 is a potent antagonist of RXR (Ki: 0.391 μM, Kd: 0.281 μM). RXR antagonist 2 has shown research potential for RXR-related diseases.</p>

<p>CP 524515 is a potent inhibitor of cholesterol ester transfer protein (CETP), which results in increased levels of high-density lipoprotein cholesterol.</p>

<p>AD013 is a selective ACE inhibitor and NEP inhibitor with potential anti-hypertensive and cardioprotective benefits.</p>

<p>SHP2-IN-9: Potent SHP2 inhibitor, IC50=1.174 μM, 85x SHP1 selectivity, crosses blood-brain barrier, hampers cancer growth.</p>

<p>hCAVII/IX-IN-1 (compound 4) functions as an inhibitor of hCAVII/IX, exhibiting Ki values of 56.5 nM and 38.2 nM, respectively. It is applicable in the field of cancer research.</p>

<p>TCPU (sEH inhibitor-1) is a potent oral human sEH blocker with IC50s of 0.4 nM (human) and 5.3 nM (mouse).</p>

<p>Anticancer agent 78: anti-aromatase (IC50=0.9 μM), cytotoxic, potential in breast cancer research.</p>

<p>RBM14C12 is a compound known for its cell signaling activity. It plays a crucial role in researching lipid metabolism and cell membrane structure. Additionally, RBM14C12 can be utilized in the development of novel compounds aimed at modulating the biological mechanisms associated with lipid-related diseases.</p>

<p>Glucosylceramide synthase-IN-3 (BZ1) is a potent, brain-accessible, oral GCS inhibitor with a 16 nM IC50, relevant for Gaucher's disease study.</p>

<p>R-13, a carbonic anhydrase inhibitor, has Ki of 60.7 nM (hCA I), 320.7 nM (hCA II), and 2298 nM (hCA IV).</p>

<p>ABCB1-IN-4 (Compound C6z) is an orally active inhibitor of α-amylase and α-glucosidase, with IC50 values of 1.63 μM and 0.14 μM, respectively. It holds potential for diabetes research.</p>

<p>FTI-2153 TFA inhibits farnesyltransferase with high selectivity (IC50: 1.4 nM), over 3000x more than Rap1A processing.</p>

<p>HIF-1/2α-IN-1, an orally active compound, functions as an inhibitor of HIF-2α.</p>

<p>1-Stearoyl-sn-glycerol 3-phosphate sodium, a biologically active phospholipid, plays a crucial role in regulating cell motility, proliferation, invasion, survival, and the production of growth factors through interactions with G protein-coupled receptors (GPCR). Synthesized during the formation of membrane phospholipids, this compound typically has a low plasma concentration (approximately 100nM) and originates from various cell types, including activated platelets, epithelial cells, leukocytes, neuronal cells, and tumor cells. Its distinctive structure features stearic acid at the sn-1 position and a hydroxyl group at the sn-2 position.</p>

<p>α-Glucosidase-IN-63 (Compound 4d) serves as an α-Glucosidase inhibitor with an IC 50 value of 0.44 μM. Additionally, it exhibits inhibitory activity against hCA II, demonstrating a K i of 7.0 nM. The compound is also effective when administered orally. [1]</p>

<p>Nampt activator-4, a positive allosteric modulator (N-PAM) of nicotinamide phosphoribosyltransferase (NAMPT), has an EC50 of 0.058 μM and can enhance nicotinamide adenine dinucleotide (NAD+) levels in cells [1].</p>

<p>D-2-Phosphoglyceric acid is a crucial metabolic intermediate known for its role in enhancing cellular energy metabolism and regulating biosynthesis. It plays a key role in both glycolysis and photosynthesis, which are essential for cellular energy supply. Additionally, D-2-Phosphoglyceric acid serves as a biomarker for monitoring metabolic states in various organisms.</p>

<p>Glucosylceramide Synthase-IN-4 (compound 12) serves as a potent inhibitor of glucosylceramide synthase (GCS), exhibiting an IC50 of 6.8 nM. It demonstrates superior pharmacokinetic properties and robust stability in human hepatocytes. Additionally, this compound is noted for its effective CNS penetration and acceptable PXR selectivity [1].</p>

<p>Oxythiamin diphosphate ammonium is a potent inhibitor of transketolase (TK).</p>

<p>BAY-179 is a potent, selective, species cross-reactive complex I inhibitor for the study of cancer.</p>

<p>LTA4H-IN-3 (compound 9) functions as an inhibitor of LTA4H, demonstrating an IC50 of 28 nM [1].</p>

<p>SMase-IN-1 (Compound 4) is a bacterial sphingomyelinase (SMase) inhibitor with an IC50 value of 6.43 µM against Bacillus cereus SMase. It also inhibits eqBuChE with an inhibition rate of 59.50% at a concentration of 50 µM. SMase-IN-1 forms a complex with Cu2+ through bio-metal interactions and can inhibit hemolysis of sheep red blood cells induced by Bacillus cereus.</p>

<p>Rivaroxabandiol is a metabolite of Rivaroxaban, which is a potent and selective direct inhibitor of coagulation factor Xa (FXa) with an IC50 of 0.7 nM and a Ki of 0.4 nM.</p>

<p>α-Glucosidase-IN-17 (Compound 12B) is a potent and orally active inhibitor of α-glucosidase, demonstrating antidiabetic activity with an inhibitory</p>

<p>PAT-347 is a potent inhibitor of Autotaxin, an enzyme linked to cell survival and diseases like cancer and fibrosis.</p>

<p>DH376 inhibits DAGLα in a time and dose dependent manner in mouse brain. DH376 shows picomolar activity.</p>

<p>Calcipotriol Impurity C is the impurity of Calcipotriol. Calcipotriol is a VDR-like receptors ligand.</p>

<p>PTP1B-IN-16: selective benzimidazole inhibitor of PTP1B, Ki: 12.6 μM, potential for type 2 diabetes research.</p>

<p>FXIa-6f is a high affinity, orally bioavailable macrocyclic FXIa inhibitor with antithrombotic activity in preclinical species</p>

<p>LXRβ agonist-3 is a potent and selective LXRβ (liver X receptor β) agonist (EC50: 0.095 μM).</p>

<p>RXR antagonist 1 is a Retinoid X Receptor (RXR) modulator that exhibits high RXR antagonism (pA2: 8.06). RXR antagonist 1 can be used to study type 2 diabetes.</p>

<p>Lunacalcipol is used for the treatment of Secondary Hyperparathyroidism.</p>

<p>β-Glucuronidase/hCAII-IN-2 (Compound 12e) is a compound that effectively inhibits both β-glucuronidase and human Carbonic Anhydrase II (hCA II), exhibiting IC50</p>

<p>L 668411, the 2,3-ditritiated methyl ester of L 659699, inhibits HMG-CoA synthase.</p>

<p>20-HEDE (WIT 002) is a 20-hydroxyeicosatetraenoic acid (20-HETE) antagonist.</p>

<p>SGK1-IN-3: Potent oral inhibitor of SGK1, may target osteoarthritis.</p>

<p>A-800141 is an orally active and selective MetAP2 inhibitor with an IC50 of 12 nM, while showing weaker inhibitory activity against MetAP1 (IC50: 36 μM). GAPDH can serve as a biomarker for monitoring the inhibition of MetAP2 by A-800141. This compound exhibits anti-angiogenic and anticancer properties in various xenograft tumor models.</p>

<p>α-Glucosidase-IN-18 (7B) is an orally active inhibitor of α-glucosidase, displaying an IC 50 value of 3.96 μM.</p>

<p>LXRβ agonist-2 is a highly potent and β-selective liver X receptor (LXRβ) agonist with EC50 of 7 nM.</p>

<p>Mesembrine is a serotonin reuptake inhibitor and is also a weak inhibitor of the enzyme phosphodiesterase 4 (PDE4).</p>

<p>SAL-0010042 is an inhibitor of Plasmodium phosphodiesterase β (PDEβ), effectively blocking the hydrolysis of cAMP and cGMP in gametocytes with an IC50 of 48.9 nM, thereby activating PKG and inhibiting the growth and development of Plasmodium (IC50s for 3D7 and Dd2 are 142 nM and 218 nM, respectively). It also inhibits hPDE5 and hPDE6 with IC50 values of 632 nM and 73 nM, respectively.</p>

<p>NTPDase-IN-3 inhibits NTPDase1/2/3/8 (IC50: 0.21/1.07/0.38/0.05 μM), useful for cancer and thrombosis research.</p>

<p>2R,4R-Sacubitril is the impurity of Sacubitril. Sacubitril is used in combination with valsartan for the treatment of patients with heart failure.</p>

<p>CAII-IN-2 (3g): potent, selective CA-II inhibitor; IC50-12.1 μM for bovine CA-II; valuable in CA-related disorder research.</p>