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molecule modeling

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11

Click Chemistry

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Cat. No. Product Name Target Research Areas Chemical Structure
  • HY-75828
    Dibenzylideneacetone

    		Bacterial Others
    Dibenzylideneacetone is a small molecule inhibitor of Botrytis cinerea chitinase with an IC50 of 13.10 μg/mL. The MIC of Botrytis cinerea was 32 μg/mL, and the EC50 values for inhibiting mycelial growth and spore germination were 16.29 and 14.64 μg/mL, respectively. Dibenzylideneacetone is a potential antifungal agent for fruit preservation, which effectively extends the preservation time of cherries .
    Dibenzylideneacetone
  • HY-B0647
    Butylphthalide
    3 Publications Verification

    3-n-Butylphthalide; 3-Butylphthalide

    		 Others Neurological Disease
    Butylphthalide (3-n-Butylphthalide) is an active molecule against cerebral ischemia. It was originally isolated from celery species and has been shown to be effective in stroke animal models.
    Butylphthalide
  • HY-D1663
    APTAB

    		Fluorescent Dye Others
    APTAB is a fluorescent cationic membrane probe. APTAB locates the anthracene-labeled molecules incorporated into model membranes by fluorescence quenching .
    APTAB
  • HY-43058
    5'-O-DMT-ibu-rG

    5'-O-DMT-N2-isobutyrylguanosine

    		 Nucleoside Antimetabolite/Analog Others
    5'-O-DMT-ibu-rG is a useful model for a new class of DNA binding molecules for the development of potent and selective anti-cancer agents .
    5'-O-DMT-ibu-rG
  • HY-141878
    di-Ellipticine-RIBOTAC

    		PROTACs Neurological Disease
    di-Ellipticine-RIBOTAC is a dual-function small molecule that reduces c9ALS/FTD r(G4C2) repeat expansion in vitro and in vivo amyotrophic lateral sclerosis (ALS ) models.
    di-Ellipticine-RIBOTAC
  • HY-134321
    8-Azido-cAMP

    		Fluorescent Dye Others
    8-Azido-cAMP is a fluorescent cAMP analog, acting as the model target of detecting cAMP . 8-Azido-cAMP is a click chemistry reagent, it contains an Azide group and can undergo copper-catalyzed azide-alkyne cycloaddition reaction (CuAAc) with molecules containing Alkyne groups. Strain-promoted alkyne-azide cycloaddition (SPAAC) can also occur with molecules containing DBCO or BCN groups.
    8-Azido-cAMP
  • HY-131803
    3'-Azido-3'-deoxyguanosine

    		Nucleoside Antimetabolite/Analog Inflammation/Immunology
    Urolignoside is an antioxidant with free radical scavenging activity. Urolignoside potently scavenges DPPH radical, and exhibits antioxidant to β-carotene-lineoleate model . 3'-Azido-3'-deoxyguanosine is a click chemistry reagent, it contains an Azide group and can undergo copper-catalyzed azide-alkyne cycloaddition reaction (CuAAc) with molecules containing Alkyne groups. Strain-promoted alkyne-azide cycloaddition (SPAAC) can also occur with molecules containing DBCO or BCN groups.
    3'-Azido-3'-deoxyguanosine
  • HY-150774
    HDAC6/HSP90-IN-2

    		HDAC HSP Apoptosis Cancer
    HDAC6/HSP90-IN-2 (compound 6e) is a dual inhibitor of HDAC6 and Hsp90, with IC50s of 105.7 and 61 nM, respectively. HDAC6/HSP90-IN-2 can be used for the research of cancer .
    HDAC6/HSP90-IN-2
  • HY-16200
    Ethynylcytidine

    ECyD; TAS-106; 3'-C-Ethynylcytidine

    		 DNA/RNA Synthesis Nucleoside Antimetabolite/Analog Cancer
    Ethynylcytidine (ECyD), a nucleoside analog and a potent inhibitor of RNA synthesis, inhibits RNA polymerases I, II and II. Ethynylcytidine has robust antitumor activity in a wide range of models of cancer . Ethynylcytidine is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.
    Ethynylcytidine
  • HY-Y1230
    4-Pentynoic acid

    Propargylacetic acid
    4-Pentynoic acid (Propargylacetic acid) is an intermediate to produce biologically active compounds. 4-Pentynoic acid is widely utilized as a building block for the synthesis of eight sequence-defined model oligomers . 4-Pentynoic acid is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.
    4-Pentynoic acid
  • HY-155819
    M3/PDE4 modulator-1

    		mAChR Phosphodiesterase (PDE) Inflammation/Immunology
    M3/PDE4 modulator-1 (compound 10f) is a bifunctional molecule that is an M3 mAChR antagonist and a PDE4 inhibitor. M3/PDE4 modulator-1 (10-1000 nM/kg; iv) reduces cysteine eosinophil influx in the OVA rat model .
    M3/PDE4 modulator-1
  • HY-107648
    McN-A-343
    1 Publications Verification

    		 mAChR Inflammation/Immunology
    McN-A-343 is a selective M1 muscarinic agonist that stimulates muscarinic transmission in sympathetic ganglia. McN-A-343 reduces inflammation and oxidative stress in an experimental model of ulcerative colitis . McN-A-343 is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.
    McN-A-343
  • HY-134978B
    (-)SHIN2

    		SHMT Cancer
    (-)SHIN2 is the isomer of (+)SHIN2 (HY-134978A). (+)SHIN2 is an inhibitor of serine hydroxymethyltransferase (SHMT) with antileukemic effect. (+)SHIN2 synergisty with and Methotrexate (HY-14519) in vivo xenotransplantation models . (-)SHIN2 is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.
    (-)SHIN2
  • HY-122611
    CSRM617

    		Androgen Receptor Apoptosis Cancer
    CSRM617 is a selective small-molecule inhibitor of the transcription factor ONECUT2 (OC2, a master regulator of androgen receptor) with a Kd of 7.43 uM in SPR assays, binding to OC2-HOX domain directly. CSRM617 induces apoptosis by appearance of cleaved Caspase-3 and PARP. CSRM617 is well tolerated in the prostate cancer mouse model
    CSRM617
  • HY-122611A
    CSRM617 hydrochloride
    1 Publications Verification

    		 Androgen Receptor Apoptosis Cancer
    CSRM617 hydrochloride is a selective small-molecule inhibitor of the transcription factor ONECUT2 (OC2, a master regulator of androgen receptor) with a Kd of 7.43 uM in SPR assays, binding to OC2-HOX domain directly. CSRM617 hydrochloride induces apoptosis by appearance of cleaved Caspase-3 and PARP. CSRM617 hydrochloride is well tolerated in the prostate cancer mouse model
    CSRM617 hydrochloride
  • HY-120419
    PF9601N

    		Monoamine Oxidase Neurological Disease
    PF9601N, an monoamine oxidase B (MAO-B) inhibitor, possesses neuroprotective properties in several in vitro and in vivo models of Parkinson's disease (PD). PF9601N can be used for the research of neurodegenerative diseases mediated by excitotoxicity . PF9601N is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.
    PF9601N
  • HY-151462
    RP-6685

    		DNA/RNA Synthesis Cancer
    RP-6685 is a potent, selective and orally active DNA polymerase theta (Polθ) inhibitor with an IC50 value of 5.8 nM (PicoGreen assay). RP-6685 shows antitumor efficacy in mouse tumor xenograft model . RP-6685 is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.
    RP-6685
  • HY-108790
    Peginterferon beta-1a

    Peginterferon β-1a

    		 Apoptosis Neurological Disease Cancer
    Peginterferon beta-1a (Peginterferon β-1a) is the first pegylated interferon beta-1a molecule. Peginterferon beta-1a induces cancer cells apoptosis and shows anti-tumor activities in nude mice models. Peginterferon beta-1a can be used for the research of cancer and multiple sclerosis (RMS) .
    Peginterferon beta-1a
  • HY-110152
    LSN2463359

    		mGluR Neurological Disease
    LSN2463359 is positive allosteric modulator of metabotropic glutamate 5 (mGlu5). LSN2463359 attenuates aspects of the behavioral response to administration of the competitive NMDA receptor antagonist. LSN2463359 selectively attenuates reversal learning deficits observed in the neurodevelopmental MAM E17 model . LSN2463359 is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.
    LSN2463359
  • HY-P3732
    RGD-4C

    		Integrin Cancer
    RGD-4C is a arginine-glycine-aspartic acid peptide (ACDCRGDCFC) with integrin binding activity. The Arg-Gly-Asp (RGD) sequence serves as the primary integrin recognition site in extracellular matrix proteins, and peptides containing this sequence can mimic the recognition specificity of the matrix proteins. RGD-4C is a αv-integrin ligand, can conjugate with bioactive molecule to exert antitumor effects in animal models .
    RGD-4C
  • HY-152293
    EVT801

    		VEGFR ERK Cancer
    EVT801 is an orally active and selective inhibitor of VEGFR-3 (IC50=11 nM), which has antitumor effects. EVT801 inhibits not only VEGF-C-induced human endothelial cell proliferation, but also tumor (lymphatic) angiogenesis in tumor mouse models. EVT801 can reduce tumor hypoxia, immunosuppressive cytokines (CCL4, CCL5) and myeloid derived suppressor cells (MDSC) production. EVT801 has synergistic effect with immune checkpoint therapy (ICT), which improves ICT response rate and has better inhibitory effect on cancer mouse models . EVT801 is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.
    EVT801
  • HY-17600
    Acalabrutinib
    Maximum Cited Publications
    20 Publications Verification

    ACP-196

    		 Btk Cancer
    Acalabrutinib (ACP-196) is an orally active, irreversible, and highly selective second-generation BTK inhibitor. Acalabrutinib binds covalently to Cys481 in the ATP-binding pocket of BTK. Acalabrutinib demonstrates potent on-target effects and efficacy in mouse models of chronic lymphocytic leukemia (CLL) . Acalabrutinib is a click chemistry reagent, itcontains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.
    Acalabrutinib
  • HY-120553
    B-355252

    		Apoptosis Neurological Disease
    B355252, a phenoxy thiophene sulfonamide small molecule, is a potent NGF receptor agonist. B355252 potentiates NGF-induced neurite outgrowth. B355252 protects ischemic neurons from neuronal loss by attenuating DNA damage, reducing ROS production and the LDH level, and preventing neuronal apoptosis. B355252 has anti-apoptotic effects in glutamate-induced excitotoxicity, as well as in a murine hippocampal cell line (HT22) model of Parkinson disease (PD) .
    B-355252
  • HY-P99623
    Flotetuzumab

    MGD006; S80880

    		 CD3 Cancer
    Flotetuzumab (MGD006; S80880) is an investigational CD123/CD3 bispecific dual-affinity retargeting antibody (DART) molecule. Flotetuzumab reactivates T cells by simultaneously binding to CD123 in target cells and CD3 in effector T cells, leading to T-cell-mediated cytotoxicity in target cells. Flotetuzumab shows inhibitory effect on a mouse model of patient-derived xenograft (PDX) in acute myeloid leukemia (AML) .
    Flotetuzumab
  • HY-149838
    NF-κB-IN-9

    		NF-κB Cancer
    NF-κB-IN-9 is a nuclear factor kappa B (NF-κB) targeting sonosensitizer (λex/λem=489/628 nm). NF-κB-IN-9 exhibits strong inhibition on NF-κB signaling due to its two resveratrol units in one molecule. NF-κB-IN-9 has anti-tumor activity and shows remarkable sonocytotoxicity against cancer cells. NF-κB-IN-9 has biosafety in eenograft mice model.
    NF-κB-IN-9
  • HY-W099563
    4-Nitrophenyl stearate

    		Biochemical Assay Reagents Others
    4-Nitrophenyl stearate, which is an ester formed by the condensation of stearic acid and 4-nitrophenol, is commonly used as a substrate for enzymatic assays, where the hydrolysis of ester bonds by esterase and lipase can be measured by absorbance or ratio In addition, 4-Nitrophenyl stearate has been used as a model compound to study the enzymatic activity and selectivity of lipases and esterases from various sources. The long hydrophobic tail of the molecule makes it suitable for use in lipophilic Good solubility in the environment makes it a useful probe for studying lipid metabolism.
    4-Nitrophenyl stearate
  • HY-152478
    3’-β-C-Ethynylguanosine

    		Nucleoside Antimetabolite/Analog Cancer
    3’-β-C-Ethynylguanosine is a guanosine analog. Some guanosine analogs have immunostimulatory activity. In some animal models, they also induce type I interferons, producing antiviral effects. Studies have shown that the functional activity of guanosine analogs is dependent on the activation of Toll-like receptor 7 (TLR7) . 3’-β-C-Ethynylguanosine is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.
    3’-β-C-Ethynylguanosine
  • HY-154361
    TLR7 agonist 13

    		Nucleoside Antimetabolite/Analog Cancer
    TLR7 agonist 13 is a guanosine analog. Some guanosine analogs have immunostimulatory activity. In some animal models, they also induce type I interferons, producing antiviral effects. Studies have shown that the functional activity of guanosine analogs is dependent on the activation of Toll-like receptor 7 (TLR7) . TLR7 agonist 13 is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.
    TLR7 agonist 13
  • HY-156519
    ALPK1-IN-3

    		NF-κB Inflammation/Immunology
    ALPK1-IN-3 is an inhibitor of ALPK1 extracted from patent WO2022063153A1 compound T007. ALPK1-IN-3 inhibits kidney proinflammatory gene expression and improves the survival rate of the animals in sepsis induced acute kidney injury animal model . ALPK1-IN-3 is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.
    ALPK1-IN-3
  • HY-139659
    ARD-61

    		PROTACs Androgen Receptor Progesterone Receptor Apoptosis Cancer
    ARD-61 is a highly potent, effective and specific PROTAC androgen receptor (AR) degrader. ARD-61 potently and effectively induces AR and progesterone receptors (PR) degradation in AR+ cancer cell lines. ARD-61 induces apoptosis and effectively induces tumor growth inhibition in the MDA-MB-453 xenograft model in mice . ARD-61 is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.
    ARD-61
  • HY-148813
    AK-2292

    		PROTACs STAT Cancer
    AK-2292 is a potent and selective STAT5 PROTAC degrader, with a DC50 of 0.10 μM. AK-2292 induces degradation of STAT5A/B proteins in vitro and in vivo. AK-2292 can induce tumor regression in acute myeloid leukemia and chronic myeloid leukemia xenograft mouse models . AK-2292 is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.
    AK-2292
  • HY-149948
    PROTAC BRD3/BRD4-L degrader-2

    		Epigenetic Reader Domain PROTACs Cancer
    PROTAC BRD3/BRD4-L degrader-2 is a PROTAC molecule and can selectively degrade cellular BRD3 and BRD4-L with Ki values of 16.91 and 2.8 nM, respectively. PROTAC BRD3/BRD4-L degrader-2 also has robust antitumor activity in mouse xenograft models. PROTAC BRD3/BRD4-L degrader-2 can be used for the research of cancer .
    PROTAC BRD3/BRD4-L degrader-2
  • HY-153321
    NX-5948

    BTK-IN-24

    		 Btk PROTACs Inflammation/Immunology Cancer
    NX-5948 (BTK-IN-24) is an orally active chimeric targeting molecule (CTM) that induces specific BTK protein degradation by the cereblon E3 ligase (CRBN) complex without degradation of other cereblon neo-substrates. NX-5948 mediates potent anti-inflammatory activity via BTK degradation with resultant inhibition of B cell activation. NX-5948 exhibits potent tumor growth inhibition in TMD8 xenograft models that contain either wild-type BTK or BTKi-resistant mutations. NX-5948 is efficacious in a mouse collageninduced arthritis (CIA) model. NX-5948 can cross the blood brain barrier (BBB). NX-5948 is a PROTAC composed of the ligand for target protein, a linker, and a cereblon E3 ligase (CRBN) complex (Red: ligand for target protein; Blue: CRBN; Black: linker) .
    NX-5948
  • HY-P99359
    Elezanumab

    ABT-555; AE12-1Y-QL; Anti-RGMA Reference Antibody (elezanumab)

    		 TGF-beta/Smad Metabolic Disease
    Elezanumab (ABT-555; AE12-1Y-QL) is a human monoclonal antibody that selectively targets repulsive guidance molecule A (RGMa). Elezanumab potently inhibited RGMa mediated BMP signalling via the SMAD1/5/8 pathway, with an IC50 around 97 pM. Elezanumab promotes neuroregeneration and neuroprotection in neuronal injury and demyelination models binds N-terminal RGMa, blocks BMP signaling and lacks RGMc cross-reactivity. elezanumab has neuroregenerative and neuroprotective activities without impact on iron metabolism .
    Elezanumab
  • HY-154349
    N2-iso-Butyroyl-2’-O-propargylguanosine

    		Nucleoside Antimetabolite/Analog Cancer
    N2-iso-Butyroyl-2’-O-propargylguanosine is a guanosine analog. Some guanosine analogs have immunostimulatory activity. In some animal models, they also induce type I interferons, producing antiviral effects. Studies have shown that the functional activity of guanosine analogs is dependent on the activation of Toll-like receptor 7 (TLR7) . N2-iso-Butyroyl-2’-O-propargylguanosine is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.
    N2-iso-Butyroyl-2’-O-propargylguanosine
  • HY-152684
    2′-O-2-Propyn-1-ylguanosine

    		Nucleoside Antimetabolite/Analog Others
    2′-O-2-Propyn-1-ylguanosine is a guanosine analogue. Some guanosine analogs have immunostimulatory activity. In some animal models, they also induce type I interferons, producing antiviral effects. Studies have shown that the functional activity of guanosine analogs is dependent on the activation of Toll-like receptor 7 (TLR7) . 2′-O-2-Propyn-1-ylguanosine is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.
    2′-O-2-Propyn-1-ylguanosine
  • HY-149433
    BWA-522

    		Androgen Receptor Apoptosis Cancer
    BWA-522 is an orally available small molecule protein-targeting chimera (PROTACs) with significant degradation effect on AR-FL and AR-V7. BWA-522 antagonizes the N-terminal domain (AR-NTD) of the androgen receptor (Androgen Receptor) and induces apoptosis in PC cells. BWA-522 inhibits tumor growth in LNCaP xenograft model studies (60 mg/kg, po; TGI=76%). The efficiencies of BWA-522 in degrading AR-V7 and AR-FL were 77.3% (1 μM) and 72.0% (5 μM) in VCaP and LNCaP cells, respectively .
    BWA-522
  • HY-156792
    RIOK2-IN-1

    		Others Cancer
    RIOK2-IN-1 (com 4) is a potent and selective RIOK2 inhibitor (Kd=150 nM), but has low cellular activity (IC50=14,600 nM). RIOK2 is an atypical kinase associated with a variety of human cancers and is involved in ribosome maturation and cell cycle progression. The small molecule inhibitor CQ211 (HY-147655), an improvement of RIOK2-IN-1 as the lead compound, has good in vivo and in vitro activity, inhibits the proliferation of MKN-1 and HT-29 cancer cells, and can xenograft MKN in mice -1 model inhibits tumor progression .
    RIOK2-IN-1
  • HY-143881
    FGFR4-IN-6

    		FGFR Cancer
    FGFR4-IN-6 (Compound 9ka) is a covalently reversible FGFR4 inhibitor with an IC50 value of 5.4 nM. FGFR4-IN-6 also exhibits good oral pharmacokinetic properties. FGFR4-IN-6 induces significant tumor regressions in a xenograft mouse model of Hep3B2.1-7 HCC cell line without an obvious sign of toxicity . FGFR4-IN-6 is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.
    FGFR4-IN-6
  • HY-131036
    MAO-IN-M30 dihydrochloride

    		Monoamine Oxidase Neurological Disease
    MAO-IN-M30 dihydrochloride is an orally active, brain-permeable, and brain selective irreversible MAO-A (IC50=37 nM) and MAO-B (IC50=57 nM) inhibitor. MAO-IN-M30 dihydrochloride is a potent iron chelator and radical scavenger. MAO-IN-M30 dihydrochloride has a neuroprotective effect against Dexamethasone-induced brain cell apoptosis. MAO-IN-M30 dihydrochloride also exhibits neurorestorative activity in post MPTP and lactacystin models of Parkinson's disease . MAO-IN-M30 (dihydrochloride) is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.
    MAO-IN-M30 dihydrochloride
  • HY-151411
    RUNX1/ETO tetramerization-IN-1

    		Others Cancer
    RUNX1/ETO tetramerization-IN-1 is a small-molecule inhibitor of RUNX1/ETO tetramerization, exhibits anti-leukemic effect. RUNX1/ETO tetramerization-IN-1 specifically targets to NHR2 of RUNX1/ETO (EC50=0.25 μM), restores gene expression down-regulated by RUNX1/ETO. RUNX1/ETO tetramerization-IN-1 inhibits the proliferation of RUNX1/ETO-depending SKNO-1 cells, and reduces the RUNX1/ETO-related tumor growth in a mouse model .
    RUNX1/ETO tetramerization-IN-1
  • HY-129602
    SD-36
    5 Publications Verification

    		 PROTACs STAT Apoptosis Cancer
    SD-36 is a potent and efficacious STAT3 PROTAC degrader (Kd=~50 nM), and demonstrates high selectivity over other STAT members. SD-36 also effectively degrades mutated STAT3 proteins in cells and suppresses the transcriptional activity of STAT3 (IC50=10 nM). SD-36 exerts robust anti-tumor activity, and achieves complete and long-lasting tumor regression in mouse tumor models. SD-36 is composed of the STAT3 inhibitor SI-109, a linker, and an analog of Cereblon ligand Lenalidomide for E3 ubiquitin ligase . SD-36 is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.
    SD-36

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