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

Venuloside A

Venuloside A is a potent inhibitor of LAT3. Venuloside A inhibits the leucine uptake in LNCaP prostate cancer cells with an IC50 of 8.12 μM[1].

  • CAS Number: 1609278-97-8
  • MF: C23H36O7
  • MW: 424.53
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Btk inhibitor 1 (R enantiomer hydrochloride)

Btk inhibitor 1R enantiomer Hcl is a pyrazolo[3,4-d]pyrimidine derivative as a Btk kinase inhibitor.IC50 value:Target: BtkFrom PCT Int. Appl. (2012), WO 2012158843 A2 20121122.

  • CAS Number: 1553977-42-6
  • MF: C22H23ClN6O
  • MW: 422.91100
  • Catalog: Btk
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

MPI-0479605

MPI-0479605 is a potent and selective ATP-competitive inhibitor of Mps1, with an IC50 of 1.8 nM.

  • CAS Number: 1246529-32-7
  • MF: C22H29N7O
  • MW: 407.512
  • Catalog: Mps1
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Propargyl-PEG4-Tos

Propargyl-PEG4-Tos is a PEG-based PROTAC linker can be used in the synthesis of PROTACs. Propargyl-PEG4-Tos is a cleavable ADC linker used in the synthesis of antibody-drug conjugates (ADCs)[1][2].

  • CAS Number: 875770-32-4
  • MF: C18H26O7S
  • MW: 386.460
  • Catalog: ADC Linker
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 498.1±45.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 255.0±28.7 °C

2’-β-C-Ethynylcytidine

2’-β-C-Ethynylcytidine 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: 188413-99-2
  • MF: C11H13N3O5
  • MW: 267.24
  • Catalog: Nucleoside Antimetabolite/Analog
  • Density: 1.6±0.1 g/cm3
  • Boiling Point: 536.4±60.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 278.2±32.9 °C

2’,3’,5’-Tri-O-acetyl-5-cyanouridine

2’,3’,5’-Tri-O-acetyl-5-cyanouridine is a thymidine analog. Analogs of this series have insertional activity towards replicated DNA. They can be used to label cells and track DNA synthesis[1].

  • CAS Number: 1630743-99-5
  • MF: C16H17N3O9
  • MW: 395.32
  • Catalog: Nucleoside Antimetabolite/Analog
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

BAY-784

BAY-784 is a gonadotropin releasing hormone receptor (GnRH-R) antagonist probe with IC50s of 21 and 24 nM for human and rat GnRH-R, respectively[1].

  • CAS Number: 1631164-24-3
  • MF: C29H26ClF4N3O5S2
  • MW: 672.11
  • Catalog: GNRH Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Resencatinib

Resencatinib is a potent tyrosine kinase inhibitor with antineoplastic activity[1].

  • CAS Number: 2546117-79-5
  • MF: C30H29N7O3
  • MW: 535.60
  • Catalog: c-Met/HGFR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

N-Acetyl-Val-Ala-Asp-al

Ac-VAD-CHO (Ac-Val-Ala-Asp-CHO) is a pan-caspase inhibitor. Ac-VAD-CHO inhibits dissipation of MMP and cytochrome c release in hypoxia-exposed cells[1].

  • CAS Number: 147837-52-3
  • MF: C14H23N3O6
  • MW: 329.349
  • Catalog: Caspase
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 698.2±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 376.0±31.5 °C

OB 24 hydrochloride

OB-24 is a potent inhibitor of heme oxygenase-1 (HO-1). Heme oxygenase-1, a member of the heat shock protein family, plays a key role as a sensor and regulator of oxidative stress. OB-24 significantly inhibited cell proliferation in vitro and tumor growth and lymph node/lung metastases in vivo. OB-24 has potential for the research of advanced prostate cancer (PCA)[1].

  • CAS Number: 939825-12-4
  • MF: C15H17BrN2O2.HCl
  • MW: 373.67
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

CooP

CooP is a linear glioblastoma-targeting nonapeptide. CooP binds to the mammary-derived growth inhibitor/fatty acid binding protein 3 (FABP3) in the glioblastoma cells and its associated vasculature. CooP is used for the targeted delivery of chemotherapy and different nanoparticles[1].

  • CAS Number: 1192864-27-9
  • MF: C32H57N9O11S
  • MW: 775.91
  • Catalog: FABP
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

IDO-IN-11

IDO-IN-11 is an indoleamine-2,3-dioxygenase (IDO) inhibitor with IC50s of 0.18 μM (Kinase) and 0.014 μM (Hela Cell), extracted from patent WO 2016041489 A1, compound 13.

  • CAS Number: 1888378-32-2
  • MF: C19H23BrFN7O4S
  • MW: 544.4
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

(Rac)-Hesperetin

(Rac)-Hesperetin is the racemate of Hesperetin. Hesperetin is a natural flavanone, and acts as a potent and broad-spectrum inhibitor against human UGT activity. Hesperetin induces apoptosis via p38 MAPK activation.

  • CAS Number: 69097-99-0
  • MF: C16H14O6
  • MW: 302.27900
  • Catalog: Apoptosis
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: 227 - 232 °C
  • Flash Point: N/A

FGN849

FGN849 is the catabolite of DGN549-L ADCs[1].

  • CAS Number: 2069250-01-5
  • MF: C42H37N5O6
  • MW: 707.77
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Chamaejasmenin B

Chamaejasmenin B can be extracted from Stellera chamaejasme L. Chamaejasmenin B suppresses cancer cells migration and invasion. Chamaejasmenin B inhibits tumor metastasis. Chamaejasmenin B can be used in the research of cancers, such as breast cancers[1][2].

  • CAS Number: 89595-71-1
  • MF: C32H26O10
  • MW: 570.543
  • Catalog: Cancer
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 873.8±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 289.0±27.8 °C

Vinblastine Sulfate

Vinblastine sulfate is a cytotoxic alkaloid used against various cancer types. Vinblastine sulfate inhibits the formation of microtubule and suppresses nAChR with an IC50 of 8.9 μM.

  • CAS Number: 143-67-9
  • MF: C46H60N4O13S
  • MW: 909.053
  • Catalog: Autophagy
  • Density: 1.37 g/cm3
  • Boiling Point: N/A
  • Melting Point: 267 °C (dec.)(lit.)
  • Flash Point: N/A

ER degrader 7

ER degrader 7 (Compound 35t) is an ERα and ERβ degrader. ER degrader 7 inhibits tubulin polymerization. ER degrader 7 inhibits cell viability with IC50s of 0.06, 2.56, 15.84, 1.59, 1.67, 1.37 μM for MCF-7, T47D, MCF-10A, LCC2, T47D D538G, and T47D Y537S cells respectively. ER degrader 7 also inhibits breast cancer tumor growth[1].

  • CAS Number: 2922929-63-1
  • MF: C33H31F4N3O5SSe
  • MW: 736.63
  • Catalog: Microtubule/Tubulin
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Limonene-13C,d2

Limonene-13C,d2 is 13C and deuterated labeled Limonene (HY-N0544)[1]. Limonene is a monoterpene in citrus peel oil. A popular disinfectant and food preservative. Antimicrobial activities[2]. Anti-proliferative activities[3]. Antioxidant and anti-inflammatory effect[4].

  • CAS Number: 1351625-27-8
  • MF: C913CH14D2
  • MW: 139.24
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Rituximab

Rituximab (anti-CD20) is an anti-CD20 chimeric monoclonal antibody used to treat certain autoimmune diseases and types of cancer[1].

  • CAS Number: 174722-31-7
  • MF: C6416H9874N1688O1987S44
  • MW:
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Oleanic acid

Oleanolic acid (Caryophyllin) is a natural compound from plants with anti-tumor activities.

  • CAS Number: 508-02-1
  • MF: C30H48O3
  • MW: 456.700
  • Catalog: Autophagy
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 553.5±50.0 °C at 760 mmHg
  • Melting Point: >300 °C(lit.)
  • Flash Point: 302.6±26.6 °C

FK-3000

FK-3000 is a potent anti-tumor agent that inhibits the growth of carcinoma cells through apoptosis and induction cell cycle arrest. FK-3000 also exhibit antiviral effects against HSV-1 and HIV-1[1][2][3][4].

  • Density: 1.33±0.1 g/cm3(Predicted)
  • Boiling Point: 572.0±50.0 °C(Predicted)
  • Melting Point: N/A
  • Flash Point: N/A

RG-12915

RG-12915 is a selective 5-HT3 antagonist, with IC50 value of 0.16 nM.

  • CAS Number: 136174-04-4
  • MF: C20H25ClN2O2
  • MW: 360.878
  • Catalog: 5-HT Receptor
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 462.6±45.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 233.6±28.7 °C

Mead acid

Mead acid (5,8,11-Eicosatrienoic acid), an unsaturated (Omega-9) fatty acid, is an indicator of essential fatty acid deficiency[1].

  • CAS Number: 20590-32-3
  • MF: C20H34O2
  • MW: 306.48
  • Catalog: Cancer
  • Density: 0.9±0.1 g/cm3
  • Boiling Point: 440.0±24.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 336.7±18.0 °C

GNE-495

GNE-495 is a potent and selective MAP4K4 inhibitor with an IC50 of 3.7 nM.

  • CAS Number: 1449277-10-4
  • MF: C22H20FN5O2
  • MW: 405.425
  • Catalog: MAP4K
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 734.5±60.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 398.0±32.9 °C

Galangin

Galangin is an agonist/antagonist of the arylhydrocarbon receptor, and also shows inhibition of CYP1A1 activity.

  • CAS Number: 548-83-4
  • MF: C15H10O5
  • MW: 270.237
  • Catalog: Autophagy
  • Density: 1.6±0.1 g/cm3
  • Boiling Point: 518.6±50.0 °C at 760 mmHg
  • Melting Point: 214-215 °C(lit.)
  • Flash Point: 202.0±23.6 °C

Antitumor Compound 2

Antitumor Compound 2, a butenylphenyl phosphate derivative, is a drug for mammary cancer and anovulatory sterility.

  • CAS Number: 115767-64-1
  • MF: C29H36NO5P
  • MW: 509.57
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

HDAC-IN-45

HDAC-IN-45 (Compound 14) is a small molecule HDAC inhibitor and has anticancer activity, also can forms a hydrogenbond with residue Y303. HDAC-IN-45 (Compound 14) has substantial inhibitory effects towards HDAC1, 2 and 3 isoforms with IC50 values of 0.108, 0.585 and 0.563 μM respectively[1].

  • CAS Number: 2421122-61-2
  • MF: C25H20ClFN8O
  • MW: 502.93
  • Catalog: HDAC
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

4,6(1H,5H)-Pyrimidinedione,5-(2-furanylmethylene)dihydro-2-thioxo-

CD00509 is a Tdp1 inhibitor, with an IC50 value of 0.71 μM. CD00509 can sensitize breast cancer cells to Camptothecin (HY-16560). CD00509 has anti-tumor activity[1].

  • CAS Number: 27430-18-8
  • MF: C9H6N2O3S
  • MW: 222.22
  • Catalog: Phosphodiesterase (PDE)
  • Density: 1.54g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

PHT-7.3

PHT-7.3 is a selective inhibitor of connector enhancer of kinase suppressor of Ras 1 (Cnk1) pleckstrin homology (PH) domain, blocks the growth of mutant KRAS cells and tumors[1].

  • CAS Number: 1614225-93-2
  • MF: C24H23N3O3S
  • MW: 433.52
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

AGN 195183

AGN 195183 is a potent and selective agonist of RARα(Kd=3 nM) with improved binding selectivity relative to AGN 193836; no activity on RARβ/γ.IC50 value: 3 nM (Kd); 200 nM (EC80, RAR Trans.)Target: RARα agonistCompound 4(AGN-195183) inhibited the growth of breast cancer cell lines, and was inactive in an in vivo model of topical irritation.Compound 4 and ATRA inhibit growth of the human breast cancer cell lines, T-47D and SK-BR-3, compound 4 does not cause the topical irritation induced by the RARa-selective retinoid, Am-580. Compound 4 (AGN 195183) is currently in Phase I/IIA clinical trials in cancer patients.

  • CAS Number: 367273-07-2
  • MF: C22H22ClF2NO4
  • MW: 437.864
  • Catalog: RAR/RXR
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 500.9±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 256.7±30.1 °C