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

(1R)-Deruxtecan

(1R)-Deruxtecan is a drug-linker conjugates for ADC[1].

  • CAS Number: 2270986-87-1
  • MF: C52H56FN9O13
  • MW: 1034.05
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Eclalbasaponin IV

Eclalbasaponin IV is a triterpenoid that can be isolate from the aerial parts of Eclipta prostrata. Eclalbasaponin IV shows antitumor activity in human ovarian cancer cells[1].

  • CAS Number: 158511-61-6
  • MF: C42H68O14
  • MW: 796.98
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

magnoloside B

Magnoloside B is an α-glucosidase inhibitor (IC50=0.69 mM), which can be obtained from Magnolia officinalis stem bark. Magnoloside B shows moderate inhibitory activity against MGC-803 and HepG2 cells. Magnoloside B has the potential to study cancer and diabetes[1].

  • CAS Number: 116872-05-0
  • MF: C35H46O20
  • MW: 786.73
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

GK921

GK921 is a transglutaminase 2 (TGase) inhibitor with an IC50 of 7.71 μM for human recombinant TGase 2.

  • CAS Number: 1025015-40-0
  • MF: C21H20N4O
  • MW: 344.41000
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Mal-amide-PEG8-Val-Ala-PAB-PNP

Mal-amide-PEG8-Val-Ala-PAB-PNP is a cleavable ADC linker used in the synthesis of antibody-drug conjugates (ADCs)[1].

  • CAS Number: 2210247-59-7
  • MF: C48H68N6O19
  • MW: 1033.08
  • Catalog: ADC Linker
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Antitumor agent-100

Antitumor agent-100 (compound A6), an apoptosis inducer and molecular glue, shows superior anti-tumor activity[1].

  • CAS Number: 2841750-32-9
  • MF: C17H14ClN3O
  • MW: 311.77
  • Catalog: Apoptosis
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Hydroxygenkwanin

Hydroxygenkwanin (7-O-Methylluteolin), a natural flavonoid compound, is one of the main components of Lilac Daphne. Hydroxygenkwanin has anti-oxidant ability, anti-glioma ability and anticancer effect[1][2].

  • CAS Number: 20243-59-8
  • MF: C16H12O6
  • MW: 300.263
  • Catalog: Cancer
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 602.7±55.0 °C at 760 mmHg
  • Melting Point: 225-227ºC
  • Flash Point: 230.6±25.0 °C

DSR 6434

DSR-6434 is a potent and selective Toll-like receptor 7 (TLR7) agonist, with EC50s of 7.2 nM and 4.6 nM for human and mice TLR7, respectively. DSR-6434 has a strong antitumor effect[1][2].

  • CAS Number: 1059070-10-8
  • MF: C19H28N8O2
  • MW: 400.478
  • Catalog: Toll-like Receptor (TLR)
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

NMS-1286937

NMS-1286937 is a potent, selective and orally available PLK1 inhibitor, with an IC50 of 2 nM.

  • CAS Number: 1034616-18-6
  • MF: C24H27F3N8O3
  • MW: 532.518
  • Catalog: Polo-like Kinase (PLK)
  • Density: 1.6±0.1 g/cm3
  • Boiling Point: 757.8±70.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 412.1±35.7 °C

GSK690

GSK 690 is a reversible inhibitor of lysine specific demethylase 1 (LSD1), with a Kd value of 9 nM and a biochemical IC50 of 37 nM.

  • CAS Number: 2101305-84-2
  • MF: C24H23N3O
  • MW: 369.459
  • Catalog: Histone Demethylase
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 530.5±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 274.6±30.1 °C

Dalnicastobart

Dalnicastobart (LVGN-7409) is a human IgG1κ antibody targeting CD40/TNFRSF5[1].

  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

PI3K-IN-28

PI3K-IN-28 (Compound 6c) is a potent inhibitor of PI3K. PI3K-IN-28 displays the most potent activity with lower toxic effects on MCF-10a. PI3K-IN-28 displays half-maximal inhibitory concentration (IC50, μM) values of 5.8, 2.3, and 7.9. PI3K-IN-28 is the most potent one with a selectivity index (SI) of 39 and is considered as a latent lead for further optimization of anticancer agents[1].

  • CAS Number: 2747100-02-1
  • MF: C26H16F9N3O3S2
  • MW: 653.54
  • Catalog: PI3K
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

KL-11743

KL-11743 is a potent, orally active, and glucose-competitive inhibitor of the class I glucose transporters, with IC50s of 115, 137, 90, and 68 nM for GLUT1, GLUT2, GLUT3, and GLUT4, respectively. KL-11743 specifically blocks glucose metabolism. KL-11743 can synergize with electron transport inhibitors to induce cell death[1][2][3].

  • CAS Number: 1369452-53-8
  • MF: C30H30N6O3
  • MW: 522.60
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

UNC3866

UNC3866 is a potent antagonist of the CBX7-H3 interaction as determined by AlphaScreen (IC50=66±1.2 nM) and is more than 100-fold selective for CBX7 over the other nine members of this methyl-lysine (Kme) reader panel.

  • CAS Number: 1872382-47-2
  • MF: C43H66N6O8
  • MW: 795.0298
  • Catalog: Histone Methyltransferase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Alpinoid D

Alpinoid D, a diarylheptanoid, can be isolated from the MeOH extract from the rhizomes of Alpinia officinarum Hance. Alpinoid D shows cytotoxic effect against IMR-32 human neuroblastoma cell line[1].

  • CAS Number: 1041740-13-9
  • MF: C20H20O3
  • MW: 308.371
  • Catalog: Cancer
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 438.2±40.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 218.8±27.3 °C

2-MPPA

2-MPPA (GPI-5693) is an orally active and selective glutamate carboxypeptidase II (GCP II; PSMA) inhibitor with an IC50 of 90 nM[1][2].

  • CAS Number: 254737-29-6
  • MF: C8H14O4S
  • MW: 206.25900
  • Catalog: Carboxypeptidase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Anticancer agent 52

Anticancer agent 52 is a potent anticancer agent. Anticancer agent 52 shows in vitro cytotoxicity. Anticancer agent 52 induces apoptosis. Anticancer agent 52 shows antitumor effect. Anticancer agent 52 has the potential for the research of bladder cancer[1].

  • CAS Number: 2388983-64-8
  • MF: C50H43Br2N2P
  • MW: 862.67
  • Catalog: Apoptosis
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Tozasertib

Tozasertib is the inhibitor of Aurora A/B/C kinases with Kis of 0.6, 18, 4.6 nM, respectively.

  • CAS Number: 639089-54-6
  • MF: C23H28N8OS
  • MW: 464.586
  • Catalog: Autophagy
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Uridine 13C-3

Uridine 13C-3 is the 13C labeled Uridine[1].

  • CAS Number: 478511-16-9
  • MF: C9H12N2O6
  • MW: 245.19400
  • Catalog: Nucleoside Antimetabolite/Analog
  • Density: 1.36 g/cm3
  • Boiling Point: 514.6ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 265ºC

CSNK1-IN-1

CSNK1-IN-1 is a CSNK1A1 inhibitor. CSNK1-IN-1 has inhibitory activity for CSNK1A1 kinase with IC50 values of 21 μM. CSNK1-IN-1 can be used for the research of proliferative disorders[1].

  • CAS Number: 2468784-55-4
  • MF: C29H26F3N5O2
  • MW: 533.54
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

KDM4D-IN-1

KDM4D-IN-1 is a new histone lysine demethylase 4D (KDM4D) inhibitor with an IC50 value of 0.41±0.03 μM.

  • CAS Number: 2098902-68-0
  • MF: C11H7N5O
  • MW: 225.21
  • Catalog: Histone Demethylase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

E3ligaseLigand-LinkerConjugates33Hydrochloride

E3 ligase Ligand-Linker Conjugates 33 Hydrochloride incorporates a cIAP ligand for the E3 ubiquitin ligase, and a PROTAC linker. E3 ligase Ligand-Linker Conjugates 33 can be used to design PROTAC degrader[1].

  • CAS Number: 1239866-59-1
  • MF: C35H44ClN3O7
  • MW: 654.19
  • Catalog: E3 Ligase Ligand-Linker Conjugate
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Nelotanserin

Nelotanserin is a potent 5-HT2A inverse agonist, a moderately potent 5-HT2C partial inverse agonist and a weak 5-HT2B inverse agonist, with IC50s of 1.7, 79, 791 nM in IP accumulation assays, respectively.

  • CAS Number: 839713-36-9
  • MF: C18H15BrF2N4O2
  • MW: 437.23800
  • Catalog: 5-HT Receptor
  • Density: 1.55 g/cm3
  • Boiling Point: 425.886ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 211.369ºC

PROTAC eEF2K degrader-1

PROTAC eEF2K degrader-1 (Compound 11l) is an eEF2K-Targeting PROTAC small molecule that induces apoptosis in MDA-MB-231 cells. PROTAC eEF2K degrader-1 mediates eEF2K degradation[1].

  • CAS Number: 2458170-54-0
  • MF: C31H33N9O11
  • MW: 707.65
  • Catalog: Apoptosis
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Matrine

Matrine(Sophocarpidine; α-Matrine) is an alkaloid found in plants from the Sophora genus. It has a variety of pharmacological effects, including anti-cancer effects, and action as a kappa opioid receptor and u-receptor agonist.IC50 Value: 540 μg/ml (inhibit gastric cancer cell line MNK45, MTT) [1]Target: u-receptor/kappa opioid in vitro: MTT assay showed that the matrine was able to inhibit gastric cancer cell line MNK45 in a dose-dependent manner. The concentration required for 50% inhibition (IC50) was found to be 540 μg/ml. This anti-tumor function was achieved through modulation of the NF-κB, XIAP, CIAP, and p-ERK proteins expression in cell line MNK45. Matrine induces apoptosis of human NSCLC cells with anti-apoptotic factors inhibited and dependent on caspase activity. In addition, we found that matrine increases the phosphorylation of p38 but not its total protein, and inhibition of the p38 pathway with SB202190 partially prevents matrine-induced apoptosis. Furthermore, matrine generates reactive oxygen species (ROS) in a dose- and time-dependent manner, which is reversed by pretreatment with N-acetyl-L-cysteine (NAC) [2].in vivo: Oral administration of matrine (200, 100 and 50 mg/kg) significantly attenuated isoproterenol-induced cardiac necrosis and left ventricular dysfunction [3]. high dose of matrine significantly reduced the mortality rate of mice with LPS administration. Treatment with matrine improved LPS-induced lung histopathologic changes, alleviated pulmonary edema and lung vascular leak, inhibited MPO and MDA activity,and reduced the production of inflammatory mediators including TNF-α, IL-6 and HMGB1 [4].Toxicity: N/AClinical trial: N/A

  • CAS Number: 519-02-8
  • MF: C15H24N2O
  • MW: 248.364
  • Catalog: Autophagy
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 396.7±31.0 °C at 760 mmHg
  • Melting Point: 77°C
  • Flash Point: 172.7±17.2 °C

Modotuximab

Modotuximab (Anti-Human EGFR Recombinant Antibody) is an IgG1κ-type chimeric antibody targeting human EGFR protein. Modotuximab contains a portion of Futuximab that binds to two independent, non-overlapping epitopes on EGFR. Modotuximab promotes cross-linking of EGFR on the cell surface and promotes EGFR cellular internalization and degradation. Modotuximab has antitumor activity in vivo[1].

  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

USP7-IN-6

USP7-IN-6 is a potent ubiquitin specific protease 7 (USP7) inhibitor, extracted from patent WO2017212010A1, example 25, has an IC50 of 6.8 nM[1].

  • CAS Number: 2166586-47-4
  • MF: C41H43N7O4S
  • MW: 729.89
  • Catalog: Deubiquitinase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

N,N-Dimethylsphingosine

N,N-Dimethylsphingosine is a potent inhbitor of SphK (sphingosine kinase) as an endogenous metabolite of sphingosine produced in various tissues and tumor cell lines[1].

  • CAS Number: 119567-63-4
  • MF: C20H41NO2
  • MW: 327.545
  • Catalog: SPHK
  • Density: 0.9±0.1 g/cm3
  • Boiling Point: 447.2±45.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 186.1±27.4 °C

Mifepristone

Mifepristone is a progesterone receptor (PR) and glucocorticoid receptor (GR) antagonist with IC50s of 0.2 nM and 2.6 nM in in vitro assay.

  • CAS Number: 84371-65-3
  • MF: C29H35NO2
  • MW: 429.594
  • Catalog: Autophagy
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 628.6±55.0 °C at 760 mmHg
  • Melting Point: 195-198°C
  • Flash Point: 334.0±31.5 °C

Presenilin 1 (349-361)

Presenilin 1 (349-361) is an active petide, and synthetic peptides representing amino acids 349–361 can be phosphorylated by glycogen synthase kinase-3β(GSK3β) in vitro. Presenilin 1 (349-361) can be used for the research of various diseases[1].

  • CAS Number: 956004-39-0
  • MF: C56H93N21O19
  • MW: 1364.47
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A