Immunology and Inflammation

BMS-986458 is a highly selective, orally active BCL6 PROTAC degrader. It specifically targets cereblon (CRBN) and the BCL6 N-terminal BTB domain to catalyze proximity-induced BCL6 degradation. BMS-986458 is applicable for research in B-cell non-Hodgkin lymphoma.

mPGES1-IN-4 (compound 32) is a multi-substituted pyrimidine compound acting as a submicromolar inhibitor of PGE2 production. It primarily exerts its anti-inflammatory effects by inhibiting mPGES-1 and significantly suppresses acute inflammation models in vivo.

CDA-IN-3 (NCDI) is a chitin deacetylase (CDA) inhibitor with antiparasitic properties. It disrupts chitin metabolism in nematodes, increasing ROS levels within these organisms and causing cellular damage. CDA-IN-3 significantly inhibits all developmental stages of Caenorhabditis elegans and can be utilized in research focused on anti-infective applications.

Methoxyurea (Compound 3) is a potential modulator of nitric oxide (NO) donors, interacting with hemoglobin forms such as oxyhemoglobin (OxyHb) and methemoglobin (MetHb). It holds promise for use in research on sickle cell disease (SCD).

Factor B-IN-3 is a potent inhibitor of complement factor B. Factor B-IN-3 can be used to study inflammatory and immune-related diseases.

NLRP3-IN-53 (compound 1) is an NLRP3 inhibitor with an IC50 of 3.4nM.

VS-15 is a selective inhibitor of IDO1, specifically binding to its apo-heme form. Additionally, VS-15 serves as an inhibitor of iNOS.

ARG1-IN-1 is a human arginase 1 inhibitor with an IC 50 of 29 nM.

MG-T-19, a TIM-3 inhibitor, inhibit the interaction of TIM-3 with PtdSer, CEACAM1, and Gal-9, and increased the production of TNF-α and IFN-γ in PBMCs.

4-Octylphenol is an endocrine disruptor with gender-specific effects on male germ cells, significantly reducing the mitotic index and the number of spermatogonia. It also causes inflammatory damage in the gills of carp by activating the complement system through the C3a/C3a receptor (C3a/C3aR) axis and C5a/C5a receptor 1 (C5a/C5aR1) axis. Furthermore, 4-Octylphenol induces immune suppression by disrupting the balance between helper T (Th) cells 1/Th2 and regulatory T (Treg)/Th17 cells, and triggers inflammatory damage through the Toll-like receptor 7 (Toll-like Receptor (TLR))/inhibitor κBα/nuclear factor κB (TLR7/IκBα/NF-κB) pathway.

(Rel)-Factor B-IN-5 is a complement factor B inhibitor that can be used to study diseases associated with activation of the alternative complement pathway.

PSB-0963 is a selective competitive extracellular 5'-nucleotidase (eN/CD73) inhibitor with a Ki value of 150 nM for rat extracellular 5'-nucleotidase. It exhibits greater selectivity compared to other extracellular nucleotidases (NTPDases 1-3) and P2Y receptors. PSB-0963 is applicable in cancer research.

PZ-3022 is an orally active, conformational PanK activator that counteracts C3-CoA inhibition. In a mouse model of propionic acidemia, it elevates hepatic CoASH and C2-CoA levels while reducing C3-CoA, making it useful for studying mitochondrial defects in propionic acidemia.

PVTX-405 is a selective oral IKZF2 molecular glue degrader with a DC50 of 0.7 nM and a maximum degradation (Dmax) of 91%. It enhances degradation efficiency, significantly reduces off-target degradation, and minimizes hERG inhibition with an IC50 of 48 µM. PVTX-405 effectively inhibits MC38 tumor growth in Crbn391VC57BL/6 mouse xenograft models and shows superior synergistic anticancer effects when combined with immune checkpoint therapies (ICTs) such as anti-PD1 or anti-LAG3 antibodies.

COX-2-IN-12: Potent, selective COX-2 inhibitor, IC50=19.98μM, safe anti-inflammatory with low acute toxicity.

IRAK4-IN-12 (compound 37) is a potent inhibitor of IRAK4 (IC50: 0.015 μM) with cellular pIRAK4 potency (IC50: 0.5 μM).

COX-2-IN-51 (E25) is a potent COX-2 inhibitor with an IC50 of 70.7 nM. It significantly suppresses LPS-induced release of NO and PGE2, the expression of COX-2 and iNOS, and the activation of the NF-κB pathway. Displaying anti-inflammatory and analgesic effects in various mouse models through NF-κB pathway inhibition, COX-2-IN-51 has lower gastrointestinal side effects compared to Indomethacin.

CD73-IN-12, a compound from CN114437038A, shows strong anti-tumor activity by effectively inhibiting CD73 enzyme.

(R)-Ketoprofen is a non-steroidal anti-inflammatory drug (NSAID) that exhibits oral activity and analgesic properties. Unlike its counterpart, (R)-Ketoprofen does not significantly enhance the increase of inflammatory cytokines (such as Tumor Necrosis Factor (TNF) and Interleukin-1 (IL-1)) induced by LPS. However, it can inhibit the anti-inflammatory activity of (S)-Ketoprofen.

CD73-IN-2 is a potent inhibitor of CD73 (IC50: 0.09 nM).

Indeno[1,2,3-cd]pyrene, a polycyclic aromatic hydrocarbon, exhibits moderate cytotoxicity to human alveolar epithelial cells (HPAEpiC). Additionally, it enhances allergic pulmonary inflammation responses through the activation of the aryl hydrocarbon receptor.

TLR4/NF-κB/MAPK-IN-1 is a novel antineuroinflammatory agent that functions by inhibiting the TLR4/NF-κB/MAPK pathways.

IRAK4-IN-18: Potent IRAK4 inhibitor (IC50: 15 nM), reduces IL23 in cells, prevents rat arthritis.

ZM514 inhibits CD73 (hCD73 IC50: 1.39 μM, mCD73 IC50: 14.65 μM) with low cytotoxicity, suitable for cancer research.

PSMAligand 1 (Compound 1c) is a PSMA ligand with an IC50 of 26.74 nM. When labeled with [18F], PSMAligand 1 serves as a PSMAPET tracer for research related to the diagnosis of prostate cancer.

Galectin-3-IN-2 inhibits galactose lectin-3 (Gal-3) with an 8.3 μM IC50, impacting cancer-related metabolism.

Nrf2-ARE/hMAO-B/QR2 modulator 1 a resveratrol derivative activated the NRF2-ARE inhibit hMAO-B and QR2, promote hippocampal neurogenesis Alzheimer's disease .

NLRP3-IN-69 (Compound 23) inhibits the activation of NF-κBp65 and the formation of the NLRP3 inflammasome. It suppresses the overexpression of IL-1β, iNOS, and COX-2 induced by LPS, and inhibits the production of NO (IC50=5.66 μM), thereby demonstrating anti-inflammatory activity.

BMY-25551, a Mitomycin A analog, exhibits cytotoxicity 8 to 20 times greater than Mitomycin C against both murine and human tumor cell lines. It is applicable in research pertaining to cancer and hematological disorders.

Heme Oxygenase-2-IN-1 is a selective HO-2 inhibitor with IC50s: 14.9 μM (HO-1), 0.9 μM (HO-2).

Amilo-5MER (5-MP) is an orally active and selective inhibitor of serum amyloid A (SAA). It specifically suppresses the release of pro-inflammatory cytokines IL-6 and IL-1β in SAA-activated cells. Amilo-5MER reduces chronic inflammation and alleviates symptoms of diseases such as rheumatoid arthritis (RA), inflammatory bowel disease (IBD), and multiple sclerosis (MS). It holds potential for research in autoimmune and chronic inflammatory diseases.

Galectin-8-IN-1 selectively binds galectin-8N with 48 μM affinity, 15x more than galectin-3.

COX-2-IN-10 is a potent COX-2 inhibitor, reducing IL-6, TNF-α, IL-1β, PGE2 (IC50=2.54 μM), and iNOS expression.

COX-2-IN-47 (compound 6c) is a selective inhibitor of COX-2, exhibiting an IC50 of 0.03 μM. This compound also displays antiedema activity.

NLRP3-IN-57 (compound 5) inhibits the NLRP3 inflammasome, consequently downregulating IL-1β levels in THP-1 macrophages induced by LPS+Nigericin.

Compound 6, an AhR agonist, selectively activates the aryl hydrocarbon receptor (AhR) with an EC50 of 0.01 nM [1].

NIK-IN-2 (compound 1) is an effective inhibitor of NF-κB inducing kinase (NIK), exhibiting a pIC50 of 7.4. It plays a crucial role in cancer research.

α-Glucosylrutin is an effective antioxidant known for its activity in scavenging free radicals. Due to its high epidermal bioavailability, it is commonly utilized in studies related to skin aging.

Factor B-IN-6 is an orally bioavailable inhibitor of Factor B. It exhibits significant inhibitory activity on the activation of the human serum alternative pathway. In model animals, Factor B-IN-6 can improve kidney lesions and function, reducing urinary protein levels. Factor B-IN-6 is applicable for kidney disease research.

DEG-35 is a CRBN-dependent bifunctional degrader targeting IKZF2 and CK1α, with DC50 values of 1.4 nM and 4.4 nM for CK1α and IKZF2, respectively. It activates the p53 apoptotic pathway and is applicable for research related to acute myeloid leukemia (AML).

AMC-04 is a protein response (UPR) activator that initiates the UPR pathway via ROS and p38 MAPK signaling, leading to apoptotic cell death. It is used in cancer research [1].

NLRP3-IN-6 (Compound 34) is a selective inhibitor of the NLRP3 inflammasome.

mPGES1-IN-5 (compound 18) is a multi-substituted pyrimidine compound that acts as a submicromolar inhibitor of PGE2 production. It primarily exerts its anti-inflammatory effects by inhibiting mPGES-1 and demonstrates significant inhibitory activity in vivo against acute inflammation models.

Compound WK692 (compund WK692) is a BCL6 inhibitor that effectively suppresses the growth of diffuse large B-cell lymphoma cells without toxic side effects and acts synergistically with inhibitors of EZH2 and PRMT5.

Ambuic acid: cyclohexanone with antifungal, quorum-inhibiting, antibacterial properties, blocks cyclic peptides; reduces MRSA abscesses in mice.

RIPK2-IN-6 (Compound 15a) is an inhibitor of RIPK that specifically targets the phosphorylation of RIPK2, thereby suppressing the NF-κB and MAPK signaling pathways. It has demonstrated anti-inflammatory and anti-fibrotic activities in a mouse model of colitis induced by Dextran sodium sulfate.

MGD-4 is an orally active, Cereblon (CRBN)-dependent degrader of IKAROS proteins that demonstrates dose-dependent degradation of IKZF1 (DC50=67.2 nM), IKZF2 (DC50=918.2 nM), and IKZF3 (DC50=95.8 nM). The compound effectively inhibits the growth of multiple myeloma.

Yoda2 (KC289), the potassium salt of Yoda1, is an agonist of PIEZO1 with an EC50 of 150 nM. It induces Ca2+ elevation in HeLa cells and can cause concentration-dependent and NO-dependent relaxation in mouse portal vein (EC50= 1.2 μM). Additionally, Yoda2 is capable of stimulating NOS3 and promoting NO production.

NDT-30805, a triazolopyridine, blocks IL-1β in PBMC (IC50: 0.013μM) & NLRP3 inflammasome, for inflammation research.

MAO-B-IN-7 inhibits MAO-B/AChE, crossing the blood-brain barrier; IC50: 41/87 nM (h/eel AChE), 0.3 μM (MAO-B). Reduces oxidative stress and neuroinflammation.

Anti-inflammatory agent 19: NO inhibitor (IC50: 36μM), blocks HMGB1, for late-stage inflammation, relevant for COVID-19, sepsis.

MGD-28 is a Cullin-CRBN-dependent IKZF family protein degrader for IKZF1 (Ikaros), IKZF2 (Helios), IKZF3 (Aiolos) ,and CK1α, antiproliferative.

IRAK4-IN-30 (Compound I) is an inhibitor of IRAK4, with an IC50 of 0.6 nM.

Fluopimomide (LH2010A), a powerful insecticide, is extensively utilized in the control of agricultural pests. It adversely affects the growth, locomotor behavior, reproduction, and lifespan of nematodes. Concurrently, it leads to increased production of reactive oxygen species (ROS), accumulation of lipids and lipofuscins, as well as a rise in malondialdehyde content. Additionally, Fluopimomide inhibits the antioxidant system of nematodes.

ODN 21158 is a potent, non-cytotoxic inhibitor of G-modified TLR3 and TLR9. ODN 21158 dose-dependently inhibits IFN-α secretion.

ZMC3 (NSC328784), a zinc chelator, exhibits properties as a zinc metallochaperone. It shows enhanced sensitivity in cells with the p53-R175H mutation and increases the cellular levels of ROS (reactive oxygen species).

iNOs-IN-1 (YPW) is a strong iNOS inhibitor with dose-dependent anti-inflammatory properties, reducing IL-6, iNOS, and NO levels.

Imipramine Blue chloride is an effective anti-invasive agent capable of inhibiting glioma invasion. It suppresses the production of reactive oxygen species (reactive oxygen species) mediated by NADPH oxidase.

STAT1/3-IN-1 (Compound 6k) is an inhibitor of STAT1/3 phosphorylation. It prevents the phosphorylation and nuclear translocation of STAT1/3. Additionally, STAT1/3-IN-1 inhibits the inflammatory enzymes iNOS and COX-2. This compound exhibits anti-inflammatory properties by reducing pro-inflammatory cytokines, such as IL-1β, IL-6, and TNF-α, without significant cytotoxicity.

HG-12-6 is a type II IRAK4 inhibitor, targeting its inactive form with an IC50 of 165 nM, and is used in autoimmunity and inflammation.

PSMA-IN-4 (compound 9) functions as a potent PSMA inhibitor, exhibiting an IC 50 value of 1.2 μM [1].

Lobaric acid, from Stereocaulon lichen, has antioxidant and anticancer properties, inhibits PTP1B and 12(S)-LOX, and reduces TMV lesions in plants.

DPP4-In (hydrochloride) is an inhibitor of dipeptidyl peptidase 4 (DPP4) that effectively reduces the expression of DPP4.

G108 is an inhibitor of human cGAS and is used in the study of autoimmune diseases associated with human cGAS.

AM679 is a potent, selective FLAP inhibitor with strong leukotriene suppression in vivo, minimal CYP3A4 interaction, and excellent pharmacokinetics in rodent models.

CD73-IN-7: potent inhibitor of CD73, blocks adenosine production to treat tumors.

20-Hydroxyvitamin D3 (20(OH)D3) is a hydroxy metabolite of vitamin D3. It functions as a ligand for the vitamin D receptor (VDR), aryl hydrocarbon receptor (AhR), liver X receptor (LXR), and retinoic acid receptor-related orphan receptor (ROR). 20-Hydroxyvitamin D3 inhibits cell proliferation and induces differentiation. It is applicable in research on inflammatory and autoimmune diseases.

TLR7/8 agonist 13 is an orally active dual agonist of TLR7 (with a lowest effective concentration (LEC) [hTLR7] of 1.6 μM) and TLR8 (LEC [hTLR8] of 1.6 μM). It acts on human peripheral blood mononuclear cells (hPBMC) with agonistic activity (LEC [hPBMC] = 0.5 μM). In mice and cynomolgus monkeys, TLR7/8 agonist 13 induces endogenous IFNα, activates myeloid dendritic cells and monocytes, promoting their differentiation towards a TH1 phenotype. In chronic AAV-HBV mouse models, it reduces viral load and HBV surface antigen levels. TLR7/8 agonist 13 has the potential to indirectly induce IFNγ, facilitating the response of HBV antigen-specific CD8 T cells. This compound is useful for hepatitis B virus research.

Izicopan (INF056) is an antagonist of the complement factor C5a receptor. It inhibits C5a-induced calcium mobilization with an IC50 ranging from 10 to 100 nM.

IRAK4-IN-14 is a selective, potent, orally active IRAK4 inhibitor (IC50: 0.003 μM) with favorable PK parameters in rats and mice. effect.

CD73-IN-13, a potent CD73 inhibitor, may be developed for tumor-related disease treatment.

Heme Oxygenase-1-IN-3 (compound 4) serves as a potent and selective inhibitor of heme oxygenase-1 (HO-1) with a dissociation constant (Kd) of 141 nM, making it suitable for use in cancer and neurodegenerative disease research.

ASP8731 is a selective inhibitor of BACH1 that prevents inflammation and vascular occlusion, and induces fetal hemoglobin in sickle cell disease.

Anti-inflammatory agent 102 (Compound 11a) is an orally effective anti-inflammatory compound. It exerts its effects by inhibiting the activation of the ASK1/p38 MAPKs/NF-κB signaling pathway. This agent displays significant anti-inflammatory activity by suppressing the release of NO, ROS, and inflammatory cytokines such as IL-6, TNF-α, and IL-1β. Anti-inflammatory agent 102 is applicable in research concerning inflammatory diseases, including ulcerative colitis (UC).

MALT1-IN-5 is a potent inhibitor of the MALT1 protease and can be used in cancer research.

COX-2/PI3K-IN-2 (5f): anti-inflammatory & anti-cancer, selectively inhibits COX-2 (Ki=3.02nM), potently blocks PI3K (IC50=2.78nM).

IRAK4-IN-15: selective IRAK4 inhibitor, IC50 0.002 μM, good PK, low clearance, synergizes with Acalabrutinib in MyD88/CD79 mutant ABC-DLBCL.

Factor B-IN-4 is a potent inhibitor (IC50: 1 μM) of complement factor B. Factor B-IN-4 can be used to study inflammatory and immune-related diseases.

STING-IN-15 (compound 66) is a potent STING inhibitor, effectively suppressing human and mouse STING with IC50 values of 116 nM and 96.3 nM, respectively. In the REX1 D18N mouse model, STING-IN-15 significantly reduces tissue damage and inflammation.

UM-3006 is a potent TLR7/8 agonist that enhances immune responses by activating the TLR signaling pathway. This compound holds significant research and application potential in the fields of vaccine adjuvants and immune diseases.

LD03-DEX is a precursor compound of dexamethasone, characterized by its immunosuppressive activity.

SMW139 is a selective allosteric antagonist of the P2X7 receptor, exhibiting a Ki value of 32 nM for human P2X7R. In rat liver microsomes, its half-life is 47 minutes. SMW139 is applicable in research related to inflammation, Alzheimer's disease, and multiple sclerosis.

CB-1158 is a potent and orally bioavailable inhibitor of arginase (IC50s: 86 and 296 nM for recombinant human arginase 1 and 2).

STING agonist-20: potent, aids in XMT-2056 synthesis, used as a cancer vaccine adjuvant.

Compound 16c, an imidazoquinoline, is a TLR7/8 agonist; IC50: 3.91 μM (TLR7), 2.19 μM (TLR8); targets TLR-2050 for disease treatment.

Evixapodlin (PD-1/PD-L1-IN 7) is a human PD-1/PD-L1 protein/protein interaction inhibitor (IC50: 0.213).Evixapodlin has anticancer and antiviral activities.

Dazostinag disodium (TAK-676) is a synthetic novel interferon gene (STING) agonist.Cost-effective and quality-assured.

AM103 is an effective and selective inhibitor of FLAP (IC50 = 4.2 nM).

UBS109, a curcumin analog, is a DNA demethylating agent in pancreatic cancer that promotes osteoblast differentiation and mineralization.

VVD-130037 is a KEAP1 activator with potential antitumor activity.VVD-130037 inhibits tumor growth in advanced solid tumors by degrading NRF2.

Antiproliferative agent-22 is an anticancer compound that shows antiproliferative activity on MCF-7, MDA-MB-231 and MDA-MB-468 cells.

HOIPIN-8 sodium is a LUBAC inhibitor for the study of inflammatory and immune diseases.

KI696 is a high-affinity probe that potently inhibits the interaction of Keap1 and NRF2.

Veledimex is an oral activator ligand for a proprietary gene therapy promoter system. It is also a moderate inhibitor of and substrate for CYP3A4/5.

2-Selenouracil is a specialized photosensitizer for photodynamical therapy.