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

SPiDER-βGal-1

SPiDER-βGal-1 is a potent probe for β-galactosidase activity and suitable for labeling live cells in culture[1][2].

  • CAS Number: 1824699-57-1
  • MF: C31H34FNO8
  • MW: 567.60
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

TAK-448

TAK-448 (MVT-602) is a potent and full KISS1R agonist with an IC50 of 460 pM and an EC50 of 632 pM[1].

  • CAS Number: 1234319-68-6
  • MF: C58H80N16O14
  • MW: 1225.36
  • Catalog: Cancer
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

7-TFA-ap-7-Deaza-2'-dA

7-TFA-ap-7-Deaza-dA is a modified nucleoside. 7-TFA-ap-7-Deaza-dA can be used in the synthesis of deoxyribonucleic acid or nucleic acid.

  • CAS Number: 178420-75-2
  • MF: C16H16F3N5O4
  • MW: 399.324
  • Catalog: DNA/RNA Synthesis
  • Density: 1.7±0.1 g/cm3
  • Boiling Point: 717.4±60.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 387.6±32.9 °C

BMS-983970

BMS-983970 is an oral pan-Notch inhibitor for the treatment of cancer.

  • CAS Number: 1584713-87-0
  • MF: C26H26F4N4O3
  • MW: 518.5
  • Catalog: Notch
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

(S,S)-GSK321

(S,S)-GSK321 is a (S,S)-enantiomer of GSK321[1].

  • CAS Number: 1816272-20-4
  • MF: C28H28FN5O3
  • MW: 501.55
  • Catalog: Isocitrate Dehydrogenase (IDH)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

tert-Butyl pent-4-yn-1-ylcarbamate

N-Boc-4-pentyne-1-amine is a PROTAC linker, which refers to the alkyl chain composition. N-Boc-4-pentyne-1-amine can be used in the synthesis of the PROTAC MG-277 (HY-130122)[1].

  • CAS Number: 151978-50-6
  • MF: C10H17NO2
  • MW: 183.24700
  • Catalog: PROTAC Linker
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

2’-Deoxy-2’-fluoro-4’-thio-β-D-arabinouridine

2’-Deoxy-2’-fluoro-4’-thio-β-D-arabinouridine 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: 941610-00-0
  • MF: C9H11FN2O4S
  • MW: 262.26
  • Catalog: Nucleoside Antimetabolite/Analog
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Tubulin polymerization-IN-57

Tubulin polymerization-IN-57 (compound 5a) is a tubulin inhibitor and is an α-naphthoxy-substituted carbendazim (HY-13582) derivative. Tubulin polymerization-IN-57 induces mitotic arrest and inhibits cancer cell proliferation[1].

  • CAS Number: 95385-38-9
  • MF: C19H15N3O3
  • MW: 333.34
  • Catalog: Microtubule/Tubulin
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

TT 232

TT-232 (CAP-232), a somatostatin derivative, is a peptide SSTR1/SSTR4 agonist. TT-232 inhibits cancer cell proliferation and induces apoptosis. TT-232 is also a broad-spectrum anti-inflammatory and analgesic agent[1][2][4].

  • CAS Number: 147159-51-1
  • MF: C22H32O2
  • MW: 328.48800
  • Catalog: Somatostatin Receptor
  • Density: 1.42g/cm3
  • Boiling Point: 1409.4ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 806.2ºC

Misonidazole

Misonidazole (Ro 7-0582; SR 1354) is a hypoxic tumor cell radiosensitizer[1]. Misonidazole also has antimicrobial effects[2].

  • CAS Number: 13551-87-6
  • MF: C7H11N3O4
  • MW: 201.180
  • Catalog: Bacterial
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 438.5±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 219.0±31.5 °C

Glucosamine-13C,15N hydrochloride

Glucosamine-13C,15N hydrochloride is the 13C and 15N labeled Glucosamine hydrochloride. Glucosamine hydrochloride (D-Glucosamine hydrochloride) is an amino sugar and a prominent precursor in the biochemical synthesis of glycosylated proteins and lipids, i

  • CAS Number: 143553-09-7
  • MF: C6H14ClNO5
  • MW: 216.62500
  • Catalog: Autophagy
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: 190-194ºC
  • Flash Point: N/A

2’-Deoxy-2’-fluoro-5-methyl-4’-thio-a-D-arabino uridine

2’-Deoxy-2’-fluoro-5-methyl-4’-thio-a-D-arabino uridine 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: 294868-24-9
  • MF: C10H13FN2O4S
  • MW: 276.28
  • Catalog: Nucleoside Antimetabolite/Analog
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Cortistatin-17 (human) trifluoroacetate salt

Cortistatin-17 (human) is a somatostatin neuropeptide with potential for studying diseases such as cancer, inflammation, autoimmunity, fibrosis, and pain[1][2].

  • CAS Number: 189450-19-9
  • MF: C96H141N27O24S3
  • MW: 2153.51000
  • Catalog: Somatostatin Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Anticancer agent 25

Anticancer agent 25 exhibits the strongest cytotoxicity against PC3 cells with an IC50 value of 0.19 μM.

  • CAS Number: 2401013-08-7
  • MF: C37H45BrN2O3
  • MW: 645.67
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

4-thiothymidine

4-Thiothymidine 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: 7236-57-9
  • MF: C10H14N2O4S
  • MW: 258.29
  • Catalog: Nucleoside Antimetabolite/Analog
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Dicoumarol

Dicoumarol is an inhibitor of both NAD(P)H:quinone oxidoreductase 1 (NQO1) and PDK1 with IC50s of 0.37 and 19.42 μM, respectively.

  • CAS Number: 66-76-2
  • MF: C19H12O6
  • MW: 336.295
  • Catalog: 5-Lipoxygenase
  • Density: 1.6±0.1 g/cm3
  • Boiling Point: 620.7±55.0 °C at 760 mmHg
  • Melting Point: 290-292 °C(lit.)
  • Flash Point: 231.9±25.0 °C

Hexokinase 2 modulator Comp-1

Tuvatexib (Hexokinase 2 modulator Comp-1) is a potent, selective small molecule modulator of Hexokinase 2 (HK2) interaction with the mitochondria, selectively dissociates HK2 from VDAC1 in vitro with IC50 of 92 nM; does not affect the VDAC1/HK1 complex; dose-dependent reduces mitochondrial-bound HK2 levels in human skin SCC A431 cells with IC50 of 0.8 uM, reduces glycolysis and triggers apoptosis in cancer cells, without affecting hexokinase 1-expressing normal cells; demonstrates anti-cancer activity in UVB-damaged skin model in SKH-1 mice.

  • CAS Number: 2055404-90-3
  • MF: C21H23NO3
  • MW: 337.419
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

LIN28 inhibitor LI71 enantiomer

LIN28 inhibitor LI71 enantiomer is the enantiomer of LIN28 inhibitor LI71 with less active. LIN28 inhibitor LI71 is a potent and cell-permeable LIN28 inhibitor, which abolishes LIN28-mediated oligouridylation with an IC50 of 7 uM[1].

  • CAS Number: 956189-58-5
  • MF: C21H21NO3
  • MW: 335.40
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

ACY-738

ACY-738 is a potent, selective and orally-bioavailable HDAC6 inhibitor, with an IC50s of 1.7 nM; ACY-738 also inhibits HDAC1, HDAC2, and HDAC3, with IC50s of 94, 128, and 218 nM.

  • CAS Number: 1375465-91-0
  • MF: C14H14N4O2
  • MW: 270.287
  • Catalog: Cancer
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

EC-359

EC359 is a potent, selective, high affinity and orally active leukemia inhibitory factor receptor (LIFR) inhibitor with a Kd of 10.2 nM, which directly interacts with LIFR to effectively block LIF/LIFR interactions[1].

  • CAS Number: 2012591-09-0
  • MF: C36H38F2O2
  • MW: 540.68
  • Catalog: Apoptosis
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

MS98

MS98 is a potent and selective PROTAC AKT degrader. MS98 depletes cellular total AKT (T-AKT) with the DC50 value of 78 nM. MS98 binds to AKT1, AKT2, and AKT3 with Kds of 4 nM, 140 nM, and 8.1 nM, respectively[1].

  • CAS Number: 2376137-31-2
  • MF: C58H81ClN10O7S
  • MW: 1097.84
  • Catalog: Akt
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

INCB059872

INCB059872 is a potent, orally active, selective and irreversible Lysine-Specific Demethylase 1 (LSD1) inhibitor. INCB059872 can be used for the research of myeloid leukemia[1].

  • CAS Number: 1802909-49-4
  • MF: C23H34N2O3
  • MW: 386.53
  • Catalog: Histone Demethylase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

10,11-Dehydrocurvularin

10,11-Dehydrocurvularin is an antibiotic and a strong activator of the heat shock response, a conserved evolutionary mechanism that maintains protein homeostasis via the overexpression of heat shock factor 1 (HSF1) and various chaperones including heat shock protein 90 (Hsp90). 10,11-Dehydrocurvularin inhibits TGF-β signalling pathway. Anti-tumorous activity[1][2].

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

BMS-8

BMS-8 inhibits the PD-1/PD-L1 interaction with IC50 of 7.2 μM. BMS-8, binds directly to PD-L1 and induces formation of PD-L1 homodimers, which in turn prevents the interaction with PD-1[1].

  • CAS Number: 1675201-90-7
  • MF: C27H28BrNO3
  • MW: 494.420
  • Catalog: PD-1/PD-L1
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 616.9±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 326.9±31.5 °C

Nifurtimox

Nifurtimox, an antiprotozoal agent, which is generally used for the treatment of infections with Trypanosoma cruzi, has been used in the therapy of neuroblastoma. Nifurtimox affects enzyme activity of lactate dehydrogenase (LDH).

  • CAS Number: 23256-30-6
  • MF: C10H13N3O5S
  • MW: 287.29200
  • Catalog: Parasite
  • Density: 1.56g/cm3
  • Boiling Point: 550.3ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 286.6ºC

CDK2/4/6-IN-2

CDK2/4/6-IN-2 is a CKD2/4/6 inhibitor, with IC50 values less than 1 μM, 10 nM, 100 nM respectively[1].

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

BX-795

BX795 is a potent and selective PDK1 inhibitor with an IC50 of 6 nM, showing 50-fold selectivity over PKA, PKC, c-Kit, GSK3β etc.

  • CAS Number: 702675-74-9
  • MF: C23H26IN7O2S
  • MW: 591.468
  • Catalog: PDK-1
  • Density: 1.6±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

IDH1 Inhibitor 1

IDH1 Inhibitor 1 is a potent, orally bioavailable, brain-penetrant and selective mutant IDH1 inhibitor with IC50s of 0.021 μM, 0.045 μM, and 2.52 μM for IDH1R132H, IDH1R132C, and IDH1WT, respectively[1]. Anticancer activity[1].

  • CAS Number: 2234285-81-3
  • MF: C20H18F4N6O2
  • MW: 450.39
  • Catalog: Isocitrate Dehydrogenase (IDH)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Glu-urea-Glu-NHS ester

Glu-urea-Glu-NHS ester (compound 21) is an activated N-hydroxysuccinamide (NHS) ester of Glu-urea-Glu which can be used as a pharmacophore for linking with prostate specific membrane antigen (PSMA) inhibitors[1].

  • CAS Number: 1228927-36-3
  • MF: C27H43N3O11
  • MW: 585.64
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Endoxifen (E-isomer)

Endoxifen E-isomer is the E-isomer of (Z)-Endoxifen. (Z)-Endoxifen, an active metabolite generated via actions of CYP3A4/5 and CYP2D6, is a more potent selective estrogen receptor modulator (SERM) than Tamoxifen.

  • CAS Number: 114828-90-9
  • MF: C25H27NO2
  • MW: 373.48700
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A