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

MMP-7-IN-3

MMP-7-IN-3 is a potent and selective inhibitor of MMP-7. MMP-7-IN-3 suppresses kidney fibrosis progression in a mouse model with unilateral ureteral obstruction[1].

  • CAS Number: 2865097-58-9
  • MF: C34H43ClF3N7O9S
  • MW: 818.26
  • Catalog: MMP
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Hu7691 free base

Hu7691 free base is an orally active, selective Akt inhibitor with IC50s of 4.0 nM, 97.5 nM, 28 nM for Akt1, Akt2 and Akt3, respectively. Hu7691 free base inhibits tumor growth and enables decrease of cutaneous toxicity in mice[1].

  • CAS Number: 2241232-43-7
  • MF: C22H21F3N4O
  • MW: 414.42
  • Catalog: ROCK
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

E3 ligase Ligand 18

E3 ligase Ligand 18 is a ligand for E3 ubiquitin ligase. E3 ligase Ligand 18 can be connected to the ligand for protein by a linker to form PROTACs. PROTACs are inducers of ubiquitination-mediated degradation of cancer-promoting proteins[1].

  • CAS Number: 2241669-88-3
  • MF: C17H17ClN6O4S
  • MW: 436.87
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Acetylexidonin

Acetylexidonin is a diterpenoid compound with anti-inflammation and cancer activity. Acetylexidonin inhibits tumor cells with IC50s of 3.69 μM (NB4) and 26.22 μM (SHSY5Y), respectively[1].

  • CAS Number: 116368-90-2
  • MF: C26H34O9
  • MW: 490.543
  • Catalog: Cancer
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 615.4±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 261.7±31.5 °C

7α,15-Dihydroxydehydroabietic acid

7α,15-Dihydroxydehydroabietic acid is a natural abietane-type diterpenoid with antiangiogenic effects[1].

  • CAS Number: 155205-64-4
  • MF: C20H28O4
  • MW: 332.434
  • Catalog: ERK
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 511.4±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 277.2±26.6 °C

PF-06651481-00

Bosutinib isomer is a ligand or inhibitor with high binding affinity for both Wee1 and Wee2, with Kd values of 43.7 ± 10.0 and 4.7 ± 2.3 nM, respectively[1].

  • CAS Number: 1391063-17-4
  • MF: C26H29Cl2N5O3
  • MW: 530.45
  • Catalog: Wee1
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Gomisin A

Schisandrol B is one of its major active constituents of traditional hepato-protective Chinese medicine, Schisandra sphenanthera.IC50 value:Target:in vitro: SolB pretreatment significantly attenuated the increases in alanine aminotransferase and aspartate aminotransferase activity, and prevented elevated hepatic malondialdehyde formation and the depletion of mitochondrial glutathione (GSH) in a dose-dependent manner. SolB also dramatically altered APAP metabolic activation by inhibiting the activities of CYP2E1 and CYP3A11, which was evidenced by significant inhibition of the formation of the oxidized APAP metabolite NAPQI-GSH [1]. SolB abrogated APAP-induced activation of p53 and p21, and increased expression of liver regeneration and antiapoptotic-related proteins such as cyclin D1 (CCND1), PCNA, and BCL-2.

  • CAS Number: 58546-54-6
  • MF: C23H28O7
  • MW: 416.464
  • Catalog: Autophagy
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 579.7±50.0 °C at 760 mmHg
  • Melting Point: 88.5°C
  • Flash Point: 304.4±30.1 °C

H-Glu-OtBu

H-Glu-OtBu is a non-cleavable ADC linker used in the synthesis of antibody-drug conjugates (ADCs). H-Glu-OtBu is also a alkyl chain-based PROTAC linker that can be used in the synthesis of PROTACs[1][2

  • CAS Number: 45120-30-7
  • MF: C9H17NO4
  • MW: 203.236
  • Catalog: ADC Linker
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 326.8±32.0 °C at 760 mmHg
  • Melting Point: 140ºC
  • Flash Point: 151.5±25.1 °C

Relatlimab

Relatlimab (BMS-986016) is a human monoclonal antibody anti-LAG-3 antibody generated by immunization of transgenic mice bearing human immunoglobulin miniloci with recombinant LAG-3 protein. Relatlimab blocks LAG-3/MHC II interaction with an IC50 value of 0.67 nM and LAG-3/FGL1 interaction with an IC50 value of 0.019 nM. Relatlimab can be used in research of cancer[1].

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

Vesencumab

Vesencumab (MNRP-1685A) is IG1 antibody against neuropilin-1 (NRP-1). Vesencumab binds to NRP-1 and prevents the subsequent coupling of NRP-1 to VEGFR-2. Vesencumab has anti-angiogenic and anti-neoplastic activities. Vesencumab can be used in the research of metastatic solid tumors, including ovarian cancer[1][2].

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

DMEA-PNU-159682

DMEA-PNU-159682 (molecule D12) is a ADC cytotoxin molecule including metabolites of nemorubicin (MMDX) from liver microsomes and a potent ADCs cytotoxin PNU-159682[1][2].

  • CAS Number: 1799421-48-9
  • MF: C37H45N3O14
  • MW: 755.76
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

aspidin BB

Aspidin BB is a phloroglucinol derivative, which can be isolated from the aerial part of Dryopteris championii. Aspidin BB has anticancer activity. Aspidin BB induces cell cycle arrest and apoptosis in human ovarian HO-8910 cells[1][2].

  • CAS Number: 584-28-1
  • MF: C25H32O8
  • MW: 460.51700
  • Catalog: Apoptosis
  • Density: 1.285g/cm3
  • Boiling Point: 704.9ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 236.6ºC

Coumestrol

Coumestrol, a phytoestrogen present in soybean products, exhibits activities against cancers, neurological disorders, and autoimmune diseases. It suppresses proliferation of ES2 cells with an IC50 of 50 μM.

  • CAS Number: 479-13-0
  • MF: C15H8O5
  • MW: 268.221
  • Catalog: Cancer
  • Density: 1.6±0.1 g/cm3
  • Boiling Point: 406.0±24.0 °C at 760 mmHg
  • Melting Point: ≥350ºC(lit.)
  • Flash Point: 199.3±22.9 °C

Mal-L-PA-NH-Boc

Mal-L-PA-NH-Boc is a noncleavable ADC linker used in the synthesis of antibody-drug conjugates (ADCs).

  • CAS Number: 1491152-23-8
  • MF: C12H16N2O6
  • MW: 284.27
  • Catalog: ADC Linker
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

DBCO-Amine

DBCO-amine is a cleavable ADC linker used in the synthesis of antibody-drug conjugates (ADCs)[1].

  • CAS Number: 1255942-06-3
  • MF: C18H16N2O
  • MW: 276.33200
  • Catalog: ADC Linker
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

AP26113

ALK-IN-1 is a potent and selective active inhibitor of anaplastic lymphoma kinase(ALK), Patent US20140066406 A1.

  • CAS Number: 1197958-12-5
  • MF: C26H34ClN6O2P
  • MW: 529.014
  • Catalog: ALK
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 737.6±70.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 399.9±35.7 °C

Harmine hydrochloride

Harmine Hydrochloride (Telepathine Hydrochloride) is a natural dual-specificity tyrosine phosphorylation-regulated kinase (DYRK) inhibitor with anticancer and anti-inflammatory activities. Harmine has a high affinity of 5-HT2A serotonin receptor, with an Ki of 397 nM[1].

  • CAS Number: 343-27-1
  • MF: C13H13ClN2O
  • MW: 248.708
  • Catalog: DYRK
  • Density: N/A
  • Boiling Point: 421.4ºC at 760mmHg
  • Melting Point: 265-270°C
  • Flash Point: 139.8ºC

Tecaginlimab

Tecaginlimab (BNT-312) is a Fc-inert bispecific antibody for dual targeting and conditional stimulation of CD40 and 4-1BB. Tecaginlimab can enhance priming and reactivation of tumor-specific immunity[1].

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

Conglobatin

Conglobatin (FW-04-806), a macrolide dilactone, is isolated from the culture of Streptomyces conglobatus. Conglobatin is an orally active Hsp90 inhibitor. Conglobatin can bind to the N-terminal domain of Hsp90 and disrupt Hsp90-Cdc37 complex formation. Conglobatin induces apoptosis in human breast cancer cells and esophageal squamous cell carcinoma cells, and exhibits antitumor activity in vivo[1][2][3].

  • CAS Number: 72263-05-9
  • MF: C28H38N2O6
  • MW: 498.61100
  • Catalog: Apoptosis
  • Density: 1.06 g/cm3
  • Boiling Point: 673.4ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 361.1ºC

gn25

GN25 is a specific p53-Snail binding inhibitor with antitumor effects[1].

  • CAS Number: 1227401-27-5
  • MF: C15H14O6S
  • MW: 322.333
  • Catalog: MDM-2/p53
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 608.4±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 321.7±31.5 °C

Adenosine receptor antagonist 1

Adenosine receptor antagonist 1 is a A2aR-selective antagonist with an IC50 of 0.29 nM and displays 14-fold more selective for A2aRthan A2bR.

  • CAS Number: 2682930-40-9
  • MF: C22H15ClFN7O
  • MW: 447.85
  • Catalog: Adenosine Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

DTP3

DTP3 TFA is a potent and selective GADD45β/MKK7 inhibitor. DTP3 TFA targets an essential, cancer-selective cell-survival module downstream of the NF-κB pathway[1].

  • CAS Number: 1809784-29-9
  • MF: C26H35N7O5
  • MW: 525.600
  • Catalog: DNA/RNA Synthesis
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

FLT3-IN-10

FLT3-IN-10 (compound 7c) is a potent inhibitor of FMS-like tyrosine kinase 3 (FLT3). FLT3-IN-10 has the potential for the treatment of FLT3-mutated acute myeloid leukemia (AML)[1].

  • CAS Number: 2088735-51-5
  • MF: C15H11FN2O
  • MW: 254.26
  • Catalog: FLT3
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

CB 1954

Tretazicar (CB 1954), an antitumor prodrug, is highly selective against the Walker 256 rat tumour line. Tretazicar is enzymatically activated to generate a bifunctional agent, which can form DNA-DNA interstrand cross-links. Tretazicar in rat cells involves the reduction of its 4-nitro group to a 4-hydroxylamine by the enzyme NAD(P)H:quinone oxidoreductase 1 (NQO1)[1][2].

  • CAS Number: 21919-05-1
  • MF: C9H8N4O5
  • MW: 252.184
  • Catalog: DNA Alkylator/Crosslinker
  • Density: 1.7±0.1 g/cm3
  • Boiling Point: 427.2±45.0 °C at 760 mmHg
  • Melting Point: 173 °C
  • Flash Point: 212.2±28.7 °C

Tubulin polymerization-IN-29

Tubulin polymerization-IN-29 (compound 6g) is a potent tubulin polymerization inhibitor. Tubulin polymerization-IN-29 exhibits potent antiproliferative activity. Tubulin polymerization-IN-29 can induce HeLa cells arrest in G2/M phase[1].

  • CAS Number: 630058-59-2
  • MF: C25H20FNO6
  • MW: 449.43
  • Catalog: Microtubule/Tubulin
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

KRAS G12C inhibitor 61

KRAS G12C inhibitor 61 (Example 3) inhibits phospho-ERK 1/2 in MIA PaCa-2 cells with an IC50 value of 9 nM. KRAS G12C inhibitor 61 can be used for research of pancreatic, colorectal, and lung cancers[1].

  • CAS Number: 2300967-40-0
  • MF: C31H33ClFN7O2
  • MW: 590.09
  • Catalog: Ras
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

ME 0328

ME0328 is a potent and selective ARTD3/PARP3 inhibitor with an IC50 of 0.89±0.28 μM.

  • CAS Number: 1445251-22-8
  • MF: C19H19N3O2
  • MW: 321.37300
  • Catalog: PARP
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Adenosine-15N5

Adenosine-15N5 (Adenine riboside-15N5; D-Adenosine-15N5) is the 15N labled Adenosine (HY-B0228). Adenosine (Adenine riboside), a ubiquitous endogenous autacoid, acts through the enrollment of four G protein-coupled receptors: A1, A2A, A2B, and A3. Adenosine affects almost all aspects of cellular physiology, including neuronal activity, vascular function, platelet aggregation, and blood cell regulation[1][2].

  • CAS Number: 168566-57-2
  • MF: C10H1315N5O4
  • MW: 272.21
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Glyoxalase I inhibitor 4

Glyoxalase I inhibitor 4 (compound 14) is a potent glyoxalase I inhibitor with an Ki of 10 nM[1].

  • CAS Number: 250155-72-7
  • MF: C17H21IN4O8S
  • MW: 568.34
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

SOD

Superoxide dismutase (SOD) is the only antioxidant enzyme that scavenges the superoxide anion by converting this free radical to oxygen and hydrogen peroxide, thus preventing peroxynitrite production and further damage. Superoxide dismutase is extensively researched and used in anti-inflammatory, antitumor, radiation protection, and antisenility applications[1].

  • CAS Number: 9054-89-1
  • MF:
  • MW: 203.151
  • Catalog: Cancer
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 359.1±42.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 183.5±20.7 °C