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

Tos-PEG2-Boc

Tos-PEG2-Boc is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].

  • CAS Number: 1309666-78-1
  • MF: C16H24O6S
  • MW: 344.423
  • Catalog: PROTAC Linker
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 460.6±30.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 232.3±24.6 °C

CYPMPO

CYPMPO is a spin-trapping reagent. CYPMPO, a cyclic DEPMPO-type nitrone, is evaluated for spin-trapping capabilities toward hydroxyl and superoxide radicals. anti-oxidant and anti-tumor activity[1].

  • CAS Number: 934182-09-9
  • MF: C10H18NO4P
  • MW: 247.23
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

PI-103

PI-103 is a potent PI3K and mTOR inhibitor with IC50s of 8 nM, 88 nM, 48 nM, 150 nM, 20 nM, and 83 nM for p110α, p110β, p110δ, p110γ, mTORC1, and mTORC2. PI-103 also inhibits DNA-PK with an IC50 of 2 nM.

  • CAS Number: 371935-74-9
  • MF: C19H16N4O3
  • MW: 348.36
  • Catalog: Cancer
  • Density: 1.409 g/cm3
  • Boiling Point: 520.25ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: N/A

Tos-PEG6-C2-Boc

Tos-PEG6-C2-Boc is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].

  • CAS Number: 406213-75-0
  • MF: C26H44O11S
  • MW: 564.686
  • Catalog: PROTAC Linker
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 621.1±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 329.4±31.5 °C

Dihydroisotanshinone I

Dihydroisotanshinone I is a bioactive compound present in a widely used traditional Chinese medicine named danshen.

  • CAS Number: 20958-18-3
  • MF: C18H14O3
  • MW: 278.302
  • Catalog: Cancer
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 479.2±45.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 214.9±28.8 °C

7-MAD-MDCPT

7-MAD-MDCPT, a Camptothecin analog, is a toxin payload in antibody drug conjugates (ADCs)[1].

  • CAS Number: 765871-81-6
  • MF: C22H19N3O6
  • MW: 421.40
  • Catalog: ADC Cytotoxin
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Tariquidar

Tariquidar is a potent and specific inhibitor of P-glycoprotein (P-gp) with the high affinity (Kd=5.1±0.9 nM).

  • CAS Number: 206873-63-4
  • MF: C38H38N4O6
  • MW: 646.732
  • Catalog: P-glycoprotein
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 716.0±60.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 386.8±32.9 °C

N-(3,4-dimethylisoxazol-5-yl)sulphanilamide, compound with 2,2'-iminodiethanol (1:1)

Sulfisoxazole (Sulfafurazole) diethanolamine is an endothelin receptor antagonist with IC50 values of 0.60 μM and 22 μM against endothelin receptor A and endothelin receptor B, respectively. Sulfisoxazole diethanolamine is a sulfonamide antibacterial with an oxazole substituent. Sulfisoxazole diethanolamine inhibits breast cancer exosome release by targeting endothelin receptor A[1][2].

  • CAS Number: 4299-60-9
  • MF: C15H24N4O5S
  • MW: 372.44000
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: 482.2ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 245.4ºC

Epibrassinolide

Epibrassinolide is a natural brassinosteroid (BR) derivative, is a plant regulator with a similar structure to mammalian steroids. Epibrassinolide is a potential apoptotic inducer in various cancer cells without affecting the non-tumor cell growth.

  • CAS Number: 78821-43-9
  • MF: C28H48O6
  • MW: 480.677
  • Catalog: Apoptosis
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 633.7±55.0 °C at 760 mmHg
  • Melting Point: 256°C
  • Flash Point: 202.3±25.0 °C

Aliskiren fumarate

Aliskiren fumarate is an orally active, highly potent and selective renin inhibitor, with IC50 of 1.5 nM. Aliskiren fumarate can be used for the research of hypertension, cardiovascular diseases and cancer cachexia[1][2][3].

  • CAS Number: 1196835-68-3
  • MF: C34H57N3O10
  • MW: 667.83
  • Catalog: Autophagy
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Btk inhibitor 1

Btk inhibitor 1 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: 1412418-47-3
  • MF: C22H22N6O
  • MW: 386.45000
  • Catalog: Btk
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Cathepsin Inhibitor 1

Cathepsin inhibitor 1 (compound 25) is a potent and selective inhibitor of Cathepsin, with pIC50s of 7.9, 6.7, 6.0, 5.5 and 5.2 for CatL, CatL2, CatS, CatK, and CatB, respectively[1].

  • CAS Number: 225120-65-0
  • MF: C20H24ClN5O2
  • MW: 401.89000
  • Catalog: Cathepsin
  • Density: 1.23±0.1 g/cm3 (20 ºC 760 Torr)
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

phosphocyclocreatine

Cyclocreatine phosphate is an anti-tumor agent. Cyclocreatine phosphate is the proposed active form of cyclocreatine (CCr), a substrate analogue of creatine kinase. Cyclocreatine phosphate has anti-tumour activity and can be used for the research of cancer[1].

  • CAS Number: 61839-19-8
  • MF: C5H10N3O5P
  • MW: 223.12400
  • Catalog: Cancer
  • Density: 2.03g/cm3
  • Boiling Point: 481ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 244.7ºC

Swertiamarin

Swertiamarin, a secoiridoid glycoside found in genera of Enicostemma Species, confers anti-hyperglycemic and anti-hyperlipidemic effects[1].

  • CAS Number: 17388-39-5
  • MF: C16H22O10
  • MW: 374.340
  • Catalog: Cancer
  • Density: 1.6±0.1 g/cm3
  • Boiling Point: 649.3±55.0 °C at 760 mmHg
  • Melting Point: 111ºC
  • Flash Point: 237.7±25.0 °C

Masitinib (AB1010)

Masitinib is an orally available Kit inhibitor with an IC50 of 200 nM. It also inhibits PDGFRα/β with an IC50 of 540 nM/800 nM nM.

  • CAS Number: 790299-79-5
  • MF: C28H30N6OS
  • MW: 498.642
  • Catalog: c-Kit
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: 90-95ºC
  • Flash Point: N/A

neorauflavane

Neorauflavane is a potent tyrosinase inhibitor derived from Campylotropis hirtella, with an IC50 value of 30 nM for tyrosinase monophenolase activity and an IC50 value of 500 nM for diphenolase activity. Neorauflavane can effectively reduce the melanin content of B16 melanoma cells[1].

  • CAS Number: 53734-74-0
  • MF: C21H22O5
  • MW: 354.40
  • Catalog: Tyrosinase
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 552.9±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 288.2±30.1 °C

CDK1-IN-2

CDK1-IN-2 is a CDK1 inhibitor (IC50: 5.8 μM)[1].

  • CAS Number: 220749-41-7
  • MF: C17H11ClN2O
  • MW: 294.735
  • Catalog: CDK
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 585.1±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 307.7±30.1 °C

3'-(O-METHYL)CYTIDINE

3′-O-Methylcytidine is a cytidine analog. Cytidine analogs have a mechanism of inhibiting DNA methyltransferases (such as Zebularine, HY-13420), and have potential anti-metabolic and anti-tumor activities[1].

  • CAS Number: 20594-00-7
  • MF: C10H15N3O5
  • MW: 257.24
  • Catalog: Nucleoside Antimetabolite/Analog
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

OSU-T315

OSU-T315 is an inhibitor of integrin-linked kinase (ILK) with an IC50 of 600 nM.

  • CAS Number: 1333146-24-9
  • MF: C30H30F3N5O
  • MW: 533.587
  • Catalog: Integrin
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 739.2±60.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 400.9±32.9 °C

HIF-2α-IN-8

HIF-2α-IN-8 is a potent and orally active HIF2α inhibitor with IC50 values of 9, 37, 246 nM for HIF2α SPA, HIF2α iScript, HIF2α HRE RGA, respectively. HIF-2α-IN-8 shows antitumor activity[1].

  • CAS Number: 2734922-78-0
  • MF: C17H11ClF7N3O
  • MW: 441.73
  • Catalog: HIF/HIF Prolyl-Hydroxylase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Picfeltarraenin IA

Picfeltarraenin IA, a triterpenoid obtained from Picriafel-terrae Lour (P.fel-terrae), is an acetylcholinesterase (AChE) inhibitor. Picfeltarraenin IA can be used for the treatment of herpes infections, cancer and inflammation[1].

  • CAS Number: 97230-47-2
  • MF: C41H62O13
  • MW: 762.923
  • Catalog: AChE
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 861.5±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 255.3±27.8 °C

PARP10-IN-2

PARP10-IN-2 is a potent mono‐ADP‐ribosyltransferase PARP10 inhibitor with an IC50 of 3.64 μM for human PARP10. PARP10-IN-2 reveals potent inhibition on PARP2 and PARP15 with IC50s of 27 μM and 11 μM for human PARP2 and human PARP15, respectively[1].

  • CAS Number: 1042780-52-8
  • MF: C14H10N2O2
  • MW: 238.24
  • Catalog: PARP
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Periplocymarin

Periplocymarin, a cardiac glycoside isolated from Periploca sepium and Periploca graeca, is a potential anti-cancer compound[1][2].

  • CAS Number: 32476-67-8
  • MF: C30H46O8
  • MW: 534.68100
  • Catalog: Cancer
  • Density: 1.27±0.1 g/cm3 (20 ºC 760 Torr)
  • Boiling Point: 690.9±55.0℃ at 760 mmHg
  • Melting Point: 209-211 ºC
  • Flash Point: N/A

2'-Azido-2'-deoxy-5-methyluridine

2′-Azido-2′-deoxy-5-methyluridine 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: 97748-75-9
  • MF: C10H13N5O5
  • MW: 283.24
  • Catalog: Nucleoside Antimetabolite/Analog
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Auristatin E

Auristatin E is a cytotoxic tubulin modifier with potent and selective antitumor activity; MMAE analog and cytotoxin in Antibody-drug conjugates.

  • CAS Number: 160800-57-7
  • MF: C40H69N5O7
  • MW: 732.005
  • Catalog: ADC Cytotoxin
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 871.0±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 480.6±34.3 °C

Selpercatinib (LOXO-292)

Selpercatinib is a RET kinase inhibitor extracted from patent WO2018071447A1, Compound Example 163, has an IC50 of 14.0 nM, 24.1 nM, and 530.7 nM for RET (WT), RET (V804M) , and RET (G810R), respectively[1]. Antineoplastic activity[2].

  • CAS Number: 2152628-33-4
  • MF: C29H31N7O3
  • MW: 525.60
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Werner syndrome RecQ helicase-IN-4

Werner syndrome RecQ helicase-IN-4 is a potent and orally active werner syndrome recQ helicase (WRN) inhibitor with an IC50 value of 0.06 µM. Werner syndrome RecQ helicase-IN-4 shows antiproliferative activity. Werner syndrome RecQ helicase-IN-4 shows anticancer activity[1].

  • CAS Number: 2869954-53-8
  • MF: C32H33F3N8O5
  • MW: 666.65
  • Catalog: DNA/RNA Synthesis
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

RC-3095

RC-3095 is a bombesin/gastrin releasing peptide receptor antagonist[1].

  • CAS Number: 138147-78-1
  • MF: C56H79N15O9
  • MW: 1106.322
  • Catalog: Bombesin Receptor
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 1547.9±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 889.9±34.3 °C

N-BOC-cis-4-Hydroxy-L-proline

N-Boc-cis-4-hydroxy-L-proline is a non-cleavable ADC linker used in the synthesis of antibody-drug conjugates (ADCs). N-Boc-cis-4-hydroxy-L-proline is also a alkyl chain-based PROTAC linker that can be used in the synthesis of PROTACs[1][2

  • CAS Number: 87691-27-8
  • MF: C10H17NO5
  • MW: 231.246
  • Catalog: ADC Linker
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 390.9±42.0 °C at 760 mmHg
  • Melting Point: 146ºC
  • Flash Point: 190.2±27.9 °C

20(S)-Hydroxycholesterol

20(S)-hydroxyCholesterol (20α-Hydroxycholesterol) is an allosteric activator of the oncoprotein smoothened (Smo) that activates the hedgehog (Hh) signaling pathway with an EC50 of 3 μM in a gene transcription reporter assay using NIH3T3 cells[1][2].

  • CAS Number: 516-72-3
  • MF: C27H46O2
  • MW: 402.65
  • Catalog: Smo
  • Density: 1.03g/cm3
  • Boiling Point: 512.3ºC at 760mmHg
  • Melting Point: 136-137ºC
  • Flash Point: 213.1ºC