Cancer is a neoplastic disease caused by uncontrolled division of abnormal cells in a part of the body and their subsequent local invasion and systematic metastasis to other parts of the body. Oncogenic mutations, genome instability and inflammation initiate and expedite the acquisition of several hallmarks by cancer cells such as sustaining unlimited growth, resisting cell death, inducing angiogenesis, activating invasion and metastasis, reprogramming cellular metabolism, and evading immune checkpoints. Our large repertoire of cancer related small molecules are designed to facilitate both basic research on cancer biology and developing new strategies to treat cancer.


Anti-infection >
Arenavirus Bacterial CMV Enterovirus Filovirus Fungal HBV HCV HIV HSV Influenza Virus Parasite Reverse Transcriptase RSV SARS-CoV
Antibody-drug Conjugate >
ADC Cytotoxin ADC Linker Drug-Linker Conjugates for ADC PROTAC-linker Conjugate for PAC
Apoptosis >
Apoptosis Bcl-2 Family c-Myc Caspase DAPK Ferroptosis IAP MDM-2/p53 PKD RIP kinase Survivin Thymidylate Synthase TNF Receptor
Autophagy >
Autophagy LRRK2 ULK Mitophagy
Cell Cycle/DNA Damage >
Antifolate APC ATM/ATR Aurora Kinase Casein Kinase CDK Checkpoint Kinase (Chk) CRISPR/Cas9 Deubiquitinase DNA Alkylator/Crosslinker DNA-PK DNA/RNA Synthesis Eukaryotic Initiation Factor (eIF) G-quadruplex Haspin Kinase HDAC HSP IRE1 Kinesin LIM Kinase (LIMK) Microtubule/Tubulin Mps1 Nucleoside Antimetabolite/Analog p97 PAK PARP PERK Polo-like Kinase (PLK) PPAR RAD51 ROCK Sirtuin SRPK Telomerase TOPK Topoisomerase Wee1
Cytoskeleton >
Arp2/3 Complex Dynamin Gap Junction Protein Integrin Kinesin Microtubule/Tubulin Mps1 Myosin PAK
Epigenetics >
AMPK Aurora Kinase DNA Methyltransferase Epigenetic Reader Domain HDAC Histone Acetyltransferase Histone Demethylase Histone Methyltransferase JAK MicroRNA PARP PKC Sirtuin Protein Arginine Deiminase
GPCR/G Protein >
5-HT Receptor Adenosine Receptor Adenylate Cyclase Adiponectin Receptor Adrenergic Receptor Angiotensin Receptor Bombesin Receptor Bradykinin Receptor Cannabinoid Receptor CaSR CCR CGRP Receptor Cholecystokinin Receptor CRFR CXCR Dopamine Receptor EBI2/GPR183 Endothelin Receptor GHSR Glucagon Receptor Glucocorticoid Receptor GNRH Receptor GPCR19 GPR109A GPR119 GPR120 GPR139 GPR40 GPR55 GPR84 Guanylate Cyclase Histamine Receptor Imidazoline Receptor Leukotriene Receptor LPL Receptor mAChR MCHR1 (GPR24) Melatonin Receptor mGluR Motilin Receptor Neurokinin Receptor Neuropeptide Y Receptor Neurotensin Receptor Opioid Receptor Orexin Receptor (OX Receptor) Oxytocin Receptor P2Y Receptor Prostaglandin Receptor Protease-Activated Receptor (PAR) Ras RGS Protein Sigma Receptor Somatostatin Receptor TSH Receptor Urotensin Receptor Vasopressin Receptor Melanocortin Receptor
Immunology/Inflammation >
Aryl Hydrocarbon Receptor CCR Complement System COX CXCR FLAP Histamine Receptor IFNAR Interleukin Related IRAK MyD88 NO Synthase NOD-like Receptor (NLR) PD-1/PD-L1 PGE synthase Salt-inducible Kinase (SIK) SPHK STING Thrombopoietin Receptor Toll-like Receptor (TLR) Arginase
JAK/STAT Signaling >
EGFR JAK Pim STAT
MAPK/ERK Pathway >
ERK JNK KLF MAP3K MAP4K MAPKAPK2 (MK2) MEK Mixed Lineage Kinase MNK p38 MAPK Raf Ribosomal S6 Kinase (RSK)
Membrane Transporter/Ion Channel >
ATP Synthase BCRP Calcium Channel CFTR Chloride Channel CRAC Channel CRM1 EAAT2 GABA Receptor GlyT HCN Channel iGluR Monoamine Transporter Monocarboxylate Transporter Na+/Ca2+ Exchanger Na+/HCO3- Cotransporter Na+/K+ ATPase nAChR NKCC P-glycoprotein P2X Receptor Potassium Channel Proton Pump SGLT Sodium Channel TRP Channel URAT1
Metabolic Enzyme/Protease >
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
Neuronal Signaling >
5-HT Receptor AChE Adenosine Kinase Amyloid-β Beta-secretase CaMK CGRP Receptor COMT Dopamine Receptor Dopamine Transporter FAAH GABA Receptor GlyT iGluR Imidazoline Receptor mAChR Melatonin Receptor Monoamine Oxidase nAChR Neurokinin Receptor Opioid Receptor Serotonin Transporter γ-secretase
NF-κB >
NF-κB IKK Keap1-Nrf2 MALT1
PI3K/Akt/mTOR >
Akt AMPK ATM/ATR DNA-PK GSK-3 MELK mTOR PDK-1 PI3K PI4K PIKfyve PTEN
PROTAC >
PROTAC E3 Ligase Ligand-Linker Conjugate Ligand for E3 Ligase PROTAC Linker PROTAC-linker Conjugate for PAC
Protein Tyrosine Kinase/RTK >
Ack1 ALK Bcr-Abl BMX Kinase Btk c-Fms c-Kit c-Met/HGFR Discoidin Domain Receptor DYRK EGFR Ephrin Receptor FAK FGFR FLT3 IGF-1R Insulin Receptor IRAK Itk PDGFR PKA Pyk2 ROS Src Syk TAM Receptor Trk Receptor VEGFR
Stem Cell/Wnt >
Casein Kinase ERK Gli GSK-3 Hedgehog Hippo (MST) JAK Notch Oct3/4 PKA Porcupine ROCK sFRP-1 Smo STAT TGF-beta/Smad Wnt YAP β-catenin γ-secretase
TGF-beta/Smad >
TGF-beta/Smad PKC ROCK TGF-β Receptor
Vitamin D Related >
VD/VDR
Others >
Androgen Receptor Aromatase Estrogen Receptor/ERR Progesterone Receptor Thyroid Hormone Receptor Others

Hydroxy-PEG3-SS-PEG3-alcohol

Hydroxy-PEG3-SS-PEG3-alcohol is also a cleavable 6 unit PEG ADC linker used in the synthesis of antibody-drug conjugates (ADCs)[1].

  • CAS Number: 5662-81-7
  • MF: C16H34O8S2
  • MW: 293.33800
  • Catalog: ADC Linker
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Taltobulin intermediate-11

Taltobulin intermediate-11 is an intermediate in the synthesis of Taltobulin (HY-15584). Taltobulin is a common toxin component in ADC preparation (ADC Cytotoxin), and it is also a powerful tubulin (Microtubule/Tubulin) inhibitor. Taltobulin disrupts tubulin polymerization, induces mitotic arrest, and induces apoptosis[1].

  • CAS Number: 1822561-77-2
  • MF: C17H25NO4
  • MW: 307.38
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

KRAS G12C inhibitor 51

KRAS G12C inhibitor 51 (example 1) is a KRAS G12C inhibitor[1].

  • CAS Number: 2762632-78-8
  • MF: C33H35FN6O3
  • MW: 582.67
  • Catalog: Ras
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Chrysophanol 1-O-glucoside

Chrysophanein is a chrysophanol glycoside from leaves and roots of Aloe hijazensis. Chrysophanein shows a moderate cytotoxic activity against several carcinoma cells lines[1].

  • CAS Number: 4839-60-5
  • MF: C21H20O9
  • MW: 416.37800
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: 245-246 °C
  • Flash Point: N/A

Me-Tet-PEG2-NHS

Me-Tet-PEG2-NHS is an ADC Linker containing 2 PEG units. Me-Tet-PEG2-NHS can utilize its own Tetrazine group to undergo a specific inverse electron demand Diels-Alder reaction (iEDDA) with compounds with TCO groups.

  • CAS Number: 2740357-12-2
  • MF: C23H28N6O7
  • MW: 500.50
  • Catalog: ADC Linker
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Aurora A inhibitor 2

Aurora A inhibitor 2 (Compound 16h) is a potent Aurora A kinase inhibitor with an IC50 of 21.94 nM. Aurora A inhibitor 2 induces caspase-dependent apoptosis in MDA-MB-231 cells[1].

  • CAS Number: 2412144-74-0
  • MF: C24H26N6O3
  • MW: 446.50
  • Catalog: Apoptosis
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

1-O-Acetyl-2,3,5-tri-O-benzoyl-6-deoxy-β-D-allofuranose

1-O-Acetyl-2,3,5-tri-O-benzoyl-5(R)-C-methyl-D-ribo furanose is a purine nucleoside analog. Purine nucleoside analogs have broad antitumor activity targeting indolent lymphoid malignancies. Anticancer mechanisms in this process rely on inhibition of DNA synthesis, induction of apoptosis, etc[1].

  • CAS Number: 72159-45-6
  • MF:
  • MW:
  • Catalog: Nucleoside Antimetabolite/Analog
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

MLN120B

MLN120B is a specific, ATP competitive IKKβ inhibitor with an IC50 of 60 nM.

  • CAS Number: 783348-36-7
  • MF: C19H15ClN4O2
  • MW: 366.801
  • Catalog: IKK
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 545.0±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 283.4±30.1 °C

KRAS G12D inhibitor 10

KRAS G12D inhibitor 10 is a potent inhibitor of KRAS G12D. The Ras family of proteins is an important intracellular signaling molecule that plays an important role in growth and development. KRAS G12D inhibitor 10 has the potential for the research of KRAS G12D-mediated cancer (extracted from patent WO2021108683A1, compound 34)[1].

  • CAS Number: 2648551-54-4
  • MF: C33H41ClN8O2
  • MW: 617.18
  • Catalog: Ras
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

7-Hydroxymethyl-10,11-MDCPT

7-Hydroxymethyl-10,11-MDCPT is an analog of camptothecin. 7-Hydroxymethyl-10,11-MDCPT inhibits tumor cell line growth with IC50s of 230.9, 90.8, 404.5 nM against HeLa-S3, PC-3, and HT-29, respectively[1].

  • CAS Number: 428816-69-7
  • MF: C22H18N2O7
  • MW: 422.39
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

2′,5′-Dideoxy-5′-iodouridine

2′,5′-Dideoxy-5′-iodouridine is a purine nucleoside analog. Purine nucleoside analogs have broad antitumor activity targeting indolent lymphoid malignancies. Anticancer mechanisms in this process rely on inhibition of DNA synthesis, induction of apoptosis, etc[1].

  • CAS Number: 58510-66-0
  • MF: C9H11IN2O4
  • MW: 338.10
  • Catalog: Nucleoside Antimetabolite/Analog
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Anthracophyllone

Anthracophyllone is an aristolane sesquiterpene that can be isolated from the mushroom Anthracophyllum. Anthracophyllone has cytotoxicity against MCF-7, KB, NCI-H187, Vero cells (IC50: 32.97, 18.02, 15.17, 18.06 μM)[1].

  • CAS Number: 1801750-22-0
  • MF: C15H20O2
  • MW: 232.32
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Mal-PEG2-Val-Cit-amido-PAB-OH

Mal-PEG2-Val-Cit-amido-PAB-OH is a cleavable ADC linker used in the synthesis of antibody-drug conjugates (ADCs).

  • CAS Number: 2055041-38-6
  • MF: C29H42N6O9
  • MW: 618.68
  • Catalog: ADC Linker
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Yadanziolide C

Yadanziolide C is a quassinoid with antiproliferative and differentiation-inducing properties in promyelocytic HL-60 cells[1].

  • CAS Number: 95258-12-1
  • MF: C20H26O9
  • MW: 410.415
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Dehydroglyasperin C

Dehydroglyasperin C, a isoflavone, is a potent NAD(P)H:oxidoquinone reductase (NQO1) and phase 2 enzyme inducer. Dehydroglyasperin C has antioxidant, neuroprotective, cancer chemopreventive, and anti-inflammatory activities[1][2][3].

  • CAS Number: 199331-35-6
  • MF: C21H22O5
  • MW: 354.40
  • Catalog: Cancer
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 588.6±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 309.8±30.1 °C

TNIK inhibitor X

TNIK inhibitor X is a potent inhibitor of Traf2- and Nck-interacting kinase (TNIK) (in vitro enzyme IC50=9 nM) with a reasonable selectivity over 30-folds against the majority of a panel of 50 kinases profiled; inhibits cell viability of PAMC82 and T47D cells harboring TNIK amplification with IC50 of 1.77 and 0.385 uM, respectively; shows no inhibitory activity against TNIK-non-amplified AZ-521 cells (IC50>30 uM); suppresses pAKT and induction of LC3 in TNIK-amplified PAMC82 cells, shows minimal effects on either Wnt signaling-mediated transcription.

  • CAS Number: 933886-36-3
  • MF: C19H17N5O3S
  • MW: 395.437
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

5-Fluorouracil-13C,15N2

5-Fluorouracil-13C,15N2 is the 13C and 15N labeled 5-Fluorouracil[1]. 5-Fluorouracil (5-FU) is an analogue of uracil and a potent antitumor agent. 5-Fluorouracil affects pyrimidine synthesis by inhibiting thymidylate synthetase thus depleting intracellular dTTP pools. 5-Fluorouracil induces apoptosis and can be used as a chemical sensitizer[2][3]. 5-Fluorouracil also inhibits HIV[4].

  • CAS Number: 1189423-58-2
  • MF: C313CH3F15N2O2
  • MW: 133.057
  • Catalog: HIV
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

AOH1996

AOH1996 is an orally active ligand of replisome component PCNA (Proliferating cell nuclear antigen), targeting to transcription-replication conflict (TRC). AOH1996 stabilizes the interaction of PCNA and RNA polymerase II, causing proteasome-dependent degradation of rpb1 and lethal DNA damages. AOH1996 also interferes the interaction of PCNA and its binding proteins, leading to DNA replication stress and inducing apoptosis. AOH1996 exerts synergistic effect with DNA damage agents, to inhibit tumor cells[1][2].

  • CAS Number: 2089314-64-5
  • MF: C26H22N2O4
  • MW: 426.46
  • Catalog: Cancer
  • Density: 1.269±0.06 g/cm3(Predicted)
  • Boiling Point: 703.9±50.0 °C(Predicted)
  • Melting Point: N/A
  • Flash Point: N/A

PD-1/PD-L1-IN-32

PD-1/PD-L1-IN-32 (compound A56) is a potent PD-1/PD-L1 inhibitor (IC50=2.4 nM), with anticancer activity. PD-1/PD-L1-IN-32 significantly inhibits tumor growth in hPD-L1 MC38 humanized mouse model, without obvious toxicity against mouse normal ability[1].

  • CAS Number: 2765535-21-3
  • MF: C29H25ClFN3O3
  • MW: 517.98
  • Catalog: PD-1/PD-L1
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

AWL-II-38.3

AWL-II-38.3 is a potent ephrin-A receptor (EphA3) kinase inhibitor. AWL-II-38.3 does not exhibit significant cellular activity against Src-family kinases nor against b-raf[1][2][1][2].

  • CAS Number: 1135205-94-5
  • MF: C23H18F3N5O3
  • MW: 469.42
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Y-29794 oxalate

Y-29794 oxalate is a selective, orally active and blood-brain barrier permeable non-peptide prolyl endopeptidase inhibitor. Y-29794 oxalate blocks the IRS1-AKT-mTORC1 pathway and inhibits tumor growth. Y-29794 oxalate is also effective in inhibiting the progression of Aβ-like deposition in the hippocampus of aging-accelerated mice (SAM)[1][2][3].

  • CAS Number: 146794-84-5
  • MF: C25H36N2O5S2
  • MW: 508.69
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Xylopine

Xylopine is an aporphine alkaloid with cytotoxic activity on cancer cells. Xylopine induces oxidative stress, causes G2/M cell cycle arrest and apoptosis in cancer cells[1].

  • CAS Number: 517-71-5
  • MF: C18H17NO3
  • MW: 295.33200
  • Catalog: Apoptosis
  • Density: 1.289g/cm3
  • Boiling Point: 483.4ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 193.7ºC

Y06137

Y06137 is a potent and selective BET inhibitor, which binds to the BRD4(1) bromodomain with a Kd of 81 nM[1]. Antitumor activity[1].

  • CAS Number: 2226534-49-0
  • MF: C27H32N4O2
  • MW: 444.57
  • Catalog: Epigenetic Reader Domain
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

2′-Deoxy-6-O-methylinosine

2′-Deoxy-6-O-methylinosine is a purine nucleoside analog. Purine nucleoside analogs have broad antitumor activity targeting indolent lymphoid malignancies. Anticancer mechanisms in this process rely on inhibition of DNA synthesis, induction of apoptosis, etc[1].

  • CAS Number: 37109-88-9
  • MF: C11H14N4O4
  • MW: 266.25
  • Catalog: Nucleoside Antimetabolite/Analog
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

PT-2385

PT-2385 is a selective HIF-2α antagonist with a Ki of less than 50 nM.

  • CAS Number: 1672665-49-4
  • MF: C17H12F3NO4S
  • MW: 383.342
  • Catalog: HIF/HIF Prolyl-Hydroxylase
  • Density: 1.6±0.1 g/cm3
  • Boiling Point: 524.7±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 271.1±30.1 °C

LDHA/PDKs-IN-2

LDHA/PDKs-IN-2 (compound 20k) is a potent and dual inhibitor of PDKs and LDHA with IC50s of 1.6 and 0.7 μM, respectively. LDHA/PDKs-IN-2 reduces A549 cell proliferation with an EC50 of 15.7 μM and decreases the lactate formation, and increases oxygen consumption. LDHA/PDKs-IN-2 has the potential for the research of cancer diseases[1].

  • CAS Number: 2490699-44-8
  • MF: C17H20N2O5
  • MW: 332.35
  • Catalog: PDK-1
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Fluorescein-diisobutyrate-6-amide

Fluorescein-diisobutyrate-6-amide is a potent ferroptosis inducer. Fluorescein-diisobutyrate-6-amide has the potential for the research of cancer[1].

  • CAS Number: 2375357-99-4
  • MF: C62H61ClN6O16
  • MW: 1181.63
  • Catalog: Ferroptosis
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Herbacetin

Herbacetin is a natural flavonoid from flaxseed, exerts various pharmacological activities, including antioxidant, anti-inflammatory and anticancer effects[1]. Herbacetin is an Ornithine decarboxylase (ODC) allosteric inhibitor, directly binds to Asp44, Asp243, and Glu384 on ODC. Ornithine decarboxylase (ODC) is a rate-limiting enzyme in the first step of polyamine biosynthesis[2].

  • CAS Number: 527-95-7
  • MF: C15H10O7
  • MW: 302.236
  • Catalog: Cancer
  • Density: 1.799
  • Boiling Point: 618.7±55.0 °C at 760 mmHg
  • Melting Point: 284ºC
  • Flash Point: 239.0±25.0 °C

SU14813

SU14813 is a multi-targeted receptor tyrosine kinases inhibitor with IC50s of 50, 2, 4, 15 nM for VEGFR2, VEGFR1, PDGFRβ and KIT.

  • CAS Number: 627908-92-3
  • MF: C23H27FN4O4
  • MW: 442.48300
  • Catalog: c-Kit
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Picropodophyllin-4-O-β-D-glucopyranosyl-(1→6)-β-D-glucopyranoside

Picropodophyllin-4-O-β-D-glucopyranosyl-(1→6)-β-D-glucopyranoside (compound 17) is a lignan isolated from the roots and rhizomes of Podophyllum sinensis[1].

  • CAS Number: 619296-83-2
  • MF: C34H42O18
  • MW: 738.69
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A