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

CU-3

(5Z,2E)-CU-3 is a potent and selective inhibitor against the α-isozyme of DGK with an IC50 value of 0.6 μM, competitively inhibits the affinity of DGKα for ATP with a Km value of 0.48 mM. (5Z,2E)-CU-3 targets the catalytic region, but not the regulatory region of DGKα. (5Z,2E)-CU-3 has antitumoral and proimmunogenic effects, enhances the apoptosis of cancer cells and the activation of T cells[1].

  • CAS Number: 1815598-71-0
  • MF: C16H12N2O4S3
  • MW: 392.47
  • Catalog: Apoptosis
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

7-Diethylaminocoumarin-3-carboxylic acid

7ACC1(DEAC; Coumarin D 1421; D 1421) selectively interfere with lactate fluxes in the lactate-rich tumor microenvironment; inhibits lactate influx but not efflux in tumor cells expressing MCT1 and MCT4 transporters.IC50 value: 0.86 uM(Lactate uptake inhibition) [1]Target: MCT inhibitor; lactate transport inhibitorContrary to the reference MCT1 inhibitor AR-C155858, 7ACC unexpectedly inhibited lactate influx but not efflux in tumor cells expressing MCT1 and MCT4 transporters. 7ACC delayed the growth of cervix SiHa tumors, colorectal HCT116 tumors, and orthoptopic MCF-7 breast tumors. MCT target engagement was confirmed by the lack of activity of 7ACC on bladder UM-UC-3 carcinoma that does not express functional MCT. 7ACC also inhibited SiHa tumor relapse after treatment with cisplatin. Finally, we found that contrary to AR-C155858, 7ACC did not prevent the cell entry of the substrate-mimetic drug 3-bromopyruvate (3BP) through MCT1, and contributed to the inhibition of tumor relapse after 3BP treatment.

  • CAS Number: 50995-74-9
  • MF: C14H15NO4
  • MW: 261.273
  • Catalog: Monocarboxylate Transporter
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 464.7±45.0 °C at 760 mmHg
  • Melting Point: 222-224ºC (dec.)(lit.)
  • Flash Point: 234.9±28.7 °C

Iristectorin A

Iristectorin A, a natural product from Iris tectorum, has anti-cancer activities in breast cancer[1].

  • CAS Number: 37744-61-9
  • MF: C23H24O12
  • MW: 492.430
  • Catalog: Cancer
  • Density: 1.6±0.1 g/cm3
  • Boiling Point: 813.6±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 281.1±27.8 °C

Agathisflavone

Agathisflavone is a flavonoid with antioxidant, anti-inflammatory, antiviral, antiparasitic, cytotoxic, neuroprotective, and hepatoprotective activities. Agathisflavone can improve tissue repair in a spinal cord injury model in rats[1][2][3].

  • CAS Number: 28441-98-7
  • MF: C30H18O10
  • MW: 538.46
  • Catalog: Cancer
  • Density: 1.656g/cm3
  • Boiling Point: 929.1ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 314.7ºC

RAD51-IN-17

RAD51-IN-17 is a quinazolinone derivative that inhibts homologous recombinase RAD51, effectively inhibits both RAD51 foci formation in response to DNA damage, and proliferation of TNBC cell lines; also sensitizes aggressive metastatic TNBC to DNA damage induced by irradiation; a valuable research tool for developing combination therapies to overcome RAD51 driven resistance and relapse in a variety of cancers.

  • CAS Number: 2101739-18-6
  • MF: C22H16ClN3O
  • MW: 373.84
  • Catalog: RAD51
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Anticancer agent 170

Anticancer agent 170 (compound 3a) is a ketone derivative, and shows potency anti-cancer activity against A549, with the IC50 of 6.62 μM[1].

  • CAS Number: 24126-98-5
  • MF: C16H16O5
  • MW: 288.29500
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Uracil-d2-1

Uracil-d2-1 is the deuterium labeled Uracil[1]. Uracil is a common and naturally occurring pyrimidine derivative and one of the four nucleobases in the nucleic acid of RNA[2].

  • CAS Number: 20666-60-8
  • MF: C4H2D2N2O2
  • MW: 114.09900
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

ART558

ART558 is a nanomolar potent, selective, low molecular weight, allosteric DNA polymerase activity of Polθ inhibitor (IC50=7.9 nM). ART558 can be used for the research of cancer[1].

  • CAS Number: 2603528-97-6
  • MF: C21H21F3N4O2
  • MW: 418.41
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

CDK7-IN-17

CDK7-IN-17 is a potent inhibitor of CDK7. CDK7-IN-17 is a pyrimidinyl derivative compound. CDK7-IN-17 has the potential for the research of various cancers, especially the cancer with transcriptional dysregulation (extracted from patent CN114249712A, compound 1)[1].

  • CAS Number: 2765676-60-4
  • MF: C24H26F3N6OP
  • MW: 502.47
  • Catalog: CDK
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

ARS-2102

ARS-2102 is a potent covalent KRAS G12C inhibitor for use in cancer research[1].

  • CAS Number: 2098509-21-6
  • MF: C28H31ClF2N6O2
  • MW: 557.03
  • Catalog: Ras
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Nintedanib Ethanesulfonate Salt

Nintedanib esylate (BIBF 1120 esylate) is a potent triple angiokinase inhibitor for VEGFR1/2/3, FGFR1/2/3 and PDGFRα/β with IC50s of 34 nM/13 nM/13 nM, 69 nM/37 nM/108 nM and 59 nM/65 nM, respectively.

  • CAS Number: 656247-18-6
  • MF: C33H39N5O7S
  • MW: 649.757
  • Catalog: FGFR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Benzothiazole-d4

Benzothiazole-d4 is a deuterium labeled Benzothiazole (HY-W012634). Benzothiazole is a natural occurring heterocyclic nuclei. Benzothiazole nucleus possesses a number of biological activities such as anticancer, antimicrobial, antidiabetic, anti-inflammatory, antileishmanial, and antiviral[1][2].

  • CAS Number: 194423-51-3
  • MF: C7HD4NS
  • MW: 139.21
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Prosapogenin A

Prosapogenin A, a natural product from Veratrum, induces apoptosis in human cancer cells in vitro via inhibition of the STAT3 signaling pathway and glycolysis[1].

  • CAS Number: 19057-67-1
  • MF: C39H62O12
  • MW: 722.902
  • Catalog: Apoptosis
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 838.8±65.0 °C at 760 mmHg
  • Melting Point: 212℃
  • Flash Point: 461.1±34.3 °C

MCL-1/BCL-2-IN-2

MCL-1/BCL-2-IN-2 (Compound 6) is a potent and selective Mcl-1 and Bcl-2 dual inhibitor[1].

  • CAS Number: 2163793-44-8
  • MF: C20H15BrN2O2S
  • MW: 427.31
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Shatavarin IV

Shatavarin IV is a steroidal saponin, that can be isolated from the roots of Asparagus racemosus (Liliaceae). Shatavarin IV shows anticancer activity. Shatavarin IV elicits lifespan extension and alleviates Parkinsonism in Caenorhabditis elegans[1].

  • CAS Number: 84633-34-1
  • MF: C45H74O17
  • MW: 887.06
  • Catalog: Cancer
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: 188-189℃
  • Flash Point: N/A

GNE-274

GNE-274 is a non-degrader that is structurally related to GDC-0927 (ER degrader). GNE-274 does not induce ER turnover and functions as a partial ER agonist in breast cancer cell lines. GNE-274 increase chromatin accessibility at ER-DNA binding sites, while GDC-0927 do not. GNE-274 is a potent inhibitor of ER-ligand binding domain (LBD). GNE-274 can be used for cancer research[1][2].

  • CAS Number: 2369048-69-9
  • MF: C29H31NO4
  • MW: 457.56
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

MS-444

MS-444 inhibits the activity of purified smooth muscle myosin light chain kinase (MLCK) with an IC50 value of 10 μM.

  • CAS Number: 150045-18-4
  • MF: C13H10O4
  • MW: 230.21600
  • Catalog: Myosin
  • Density: 1.452g/cm3
  • Boiling Point: 448.7ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 225.2ºC

PK095

PK095 is a p53 mutant stabilizer. PK095 can be used for research of cancer[1].

  • CAS Number: 380314-37-4
  • MF: C20H18N4O2S
  • MW: 378.45
  • Catalog: MDM-2/p53
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

D-(-)-Salicin

Salicin is a natural COX inhibitor.

  • CAS Number: 138-52-3
  • MF: C13H18O7
  • MW: 286.278
  • Catalog: Cancer
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 549.1±50.0 °C at 760 mmHg
  • Melting Point: 196-202 °C
  • Flash Point: 285.9±30.1 °C

Rel-(3R,4R)-3-(5,6-Dihydro-4H-Pyrrolo[3,2,1-Ij]Quinolin-1-Yl)-4-(1H-Indol-3-Yl)-2,5-Pyrrolidinedione

(rel)-Tivantinib is a potent and highly selective inhibitor of the receptor tyrosine kinase c-MET. (rel)-Tivantinib has two novel targets, GSK3α and GSK3β, which play an important role in the cellular mechanism of non-small cell lung cancer (NSCLC)[1].

  • CAS Number: 905853-99-8
  • MF: C23H19N3O2
  • MW: 369.42
  • Catalog: Cancer
  • Density: 1.49±0.1 g/cm3(Predicted)
  • Boiling Point: 715.9±60.0 °C(Predicted)
  • Melting Point: N/A
  • Flash Point: 386.8±32.9 °C

Rosamultic acid

Rosamultic acid is an A-ring contracted triterpene, that can be isolated from the roots of Rosa rnultiflora. Rosamultic acid inhibits gastric cancer cells proliferation by inducing Apoptosis mediated through cell cycle arrest, downregulation of cell cycle related protein expressions, inhibition of cell migration, DNA damage, and activation of caspases[1][2].

  • CAS Number: 214285-76-4
  • MF: C30H46O5
  • MW: 486.683
  • Catalog: Apoptosis
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 630.2±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 348.9±28.0 °C

(1S,2S)-ML-SI3

(1S,2S)-ML-SI3 is the trans-isomer of ML-SI3, a TRPML inhibitor. The (-)-isomer is a potent inhibitor of TRPML1 and TRPML2 (IC50=1.6 μM/2.3 μM) and a weak inhibitor of TRPML3 (IC50=12.5 μM), whereas the (+)-enantiomer is an inhibitor on TRPML1 (IC50=5.9 μM), but an activator on TRPML 2 and 3[1].

  • CAS Number: 2563870-87-9
  • MF: C23H31N3O3S
  • MW: 429.58
  • Catalog: TRP Channel
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

RMC-6291

RMC-6291 is an orally active and covalent inhibitor of KRASG12C(ON). RMC-6291 forms a tri-complex within tumor cells between KRASG12C(ON) and cyclophilin A (CypA). Thus, RMC-6291 prevents KRASG12C(ON) from signaling via steric blockade of RAS effector binding. RMC-6291 elicits deep and durable suppression on RAS pathway activity in KRASG12C tumor models[1].

  • CAS Number: 2641998-63-0
  • MF: C55H78FN9O8
  • MW: 1012.26
  • Catalog: Ras
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

TTP 22

TTP 22 is a potent CK2 inhibitor, with an IC50 of 100 nM and a Ki of 40 nM.

  • CAS Number: 329907-28-0
  • MF: C16H14N2O2S2
  • MW: 330.425
  • Catalog: Casein Kinase
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 575.0±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 301.6±30.1 °C

N'-(5-fluoro-2-oxoindolin-3-ylidene)-4-hydroxybenzohydrazide

c-Met-IN-15 (compound S3) is a c-Met kinase inhibitor. c-Met-IN-15 inhibits c-Met kinase activity of 21.1% at the concentration of 10 μM[1].

  • CAS Number: 330572-32-2
  • MF: C15H10FN3O3
  • MW: 299.26
  • Catalog: c-Met/HGFR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Pyrvinium pamoate

Pyrvinium pamoate is an FDA-approved antihelmintic drug that inhibits WNT pathway signaling.

  • CAS Number: 3546-41-6
  • MF: C26H28N3.1/2C23H14O6
  • MW: 575.70
  • Catalog: Wnt
  • Density: 1.0104 (rough estimate)
  • Boiling Point: 829.27°C (rough estimate)
  • Melting Point: 210-215° (softens at 190°)
  • Flash Point: N/A

(2R,3R,4R,5R)-2-(6-amino-2-methylsulfanyl-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol

2-Methylthioadenosine 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: 4105-39-9
  • MF: C11H15N5O4S
  • MW: 313.33
  • Catalog: Nucleoside Antimetabolite/Analog
  • Density: 1.98g/cm3
  • Boiling Point: 747.6ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 406ºC

Z-IETD-pNA

Z-IETD-pNA (Z-Ile-Glu-Thr-Asp-pNA) is a colorimetric caspase-8 and granzyme B substrate. Z-IETD-pNA is hydrlyzed by caspase 8 to generate pNA[1].

  • CAS Number: 348079-18-5
  • MF: C33H42N6O13
  • MW: 730.72
  • Catalog: Caspase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

IACS-15414

IACS-15414 is a potent and orally bioavailable SHP2 inhibitor with an IC50 value of 122 nM.

  • CAS Number: 2411321-29-2
  • MF: C20H24Cl2N4O2
  • MW: 423.34
  • Catalog: Phosphatase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Thapsigargin

Thapsigargin is an inhibitor of microsomal Ca2+-ATPase.

  • CAS Number: 67526-95-8
  • MF: C34H50O12
  • MW: 650.754
  • Catalog: Calcium Channel
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 699.6±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 209.0±25.0 °C