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

Amygdalin

Amygdalin is a plant glucoside isolated from the stones of rosaceous fruits, such as apricots, peaches, almond, cherries, and plums.

  • CAS Number: 29883-15-6
  • MF: C20H27NO11
  • MW: 457.428
  • Catalog: Cancer
  • Density: 1.6±0.1 g/cm3
  • Boiling Point: 743.3±60.0 °C at 760 mmHg
  • Melting Point: 223-226 °C(lit.)
  • Flash Point: 403.3±32.9 °C

Enzastaurin (LY317615)

Enzastaurin is a potent and selective PKCβ inhibitor with an IC50 of 6 nM, showing 6- to 20-fold selectivity over PKCα, PKCγ and PKCε.

  • CAS Number: 170364-57-5
  • MF: C32H29N5O2
  • MW: 515.605
  • Catalog: Autophagy
  • Density: 1.34
  • Boiling Point: 767.2±60.0 °C at 760 mmHg
  • Melting Point: 249-261℃
  • Flash Point: 417.8±32.9 °C

Cdc7-IN-15

Cdc7-IN-15 (Example 108) is a cdc7 kinase inhibitor. Cdc7-IN-15 can be used for cancer research[1].

  • CAS Number: 1244027-03-9
  • MF: C12H14N4OS
  • MW: 262.33
  • Catalog: CDK
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Citric Acid

Citric acid is a weak organic tricarboxylic acid found in citrus fruits. Citric acid is a natural preservative and food tartness enhancer.

  • CAS Number: 77-92-9
  • MF: C6H8O7
  • MW: 192.124
  • Catalog: Apoptosis
  • Density: 1.8±0.1 g/cm3
  • Boiling Point: 309.6±42.0 °C at 760 mmHg
  • Melting Point: 153-159 °C(lit.)
  • Flash Point: 155.2±24.4 °C

HPK1-IN-25

HPK1-IN-25 (example 94) is a hematopoietic progenitor kinase 1 (HPK1) inhibitor with a enzymatic activity IC50 of 129 nM. HPK1-IN-25 has the potential for cancer research[1].

  • CAS Number: 2403600-50-8
  • MF: C23H25N5O
  • MW: 387.48
  • Catalog: MAP4K
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Lemzoparlimab

Lemzoparlimab (TJ011133; TJC4) is a humanized anti-CD47 IgG4 antibody. Lemzoparlimab has a strong anti-tumor activity[1].

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

Biotin-PEG3-C3-NH2

Biotin-PEG3-C3-NH2 is a PEG-based PROTAC linker, with NH2 functional group, that can be used in the synthesis of PROTACs[1].

  • CAS Number: 183896-00-6
  • MF: C20H38N4O5S
  • MW: 446.60
  • Catalog: PROTAC Linker
  • Density: 1.139±0.06 g/cm3(Predicted)
  • Boiling Point: 715.3±60.0 °C(Predicted)
  • Melting Point: N/A
  • Flash Point: N/A

Phillyrin

Phillyrin is isolated from Forsythia suspensa Vahl (Oleaceae), has antibacterial and anti-inflammatory activities. Phillyrin has potential inductive effects on rat CYP1A2 and CYP2D1 activities, without affecting CYP2C11 and CYP3A1/2 activities[1].

  • CAS Number: 487-41-2
  • MF: C27H34O11
  • MW: 534.552
  • Catalog: Cancer
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 730.4±60.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 395.5±32.9 °C

Polyphyllin D

Polyphyllin I is a bioactive constituent extracted from Paris polyphylla, has strong anti-tumor activity. Polyphyllin I is an activator of the JNK signaling pathway and is an inhibitor of PDK1/Akt/mTOR signaling. Polyphyllin I induces autophagy, G2/M phase arrest and apoptosis[1][2][3].

  • CAS Number: 50773-41-6
  • MF: C44H70O16
  • MW: 855.017
  • Catalog: Apoptosis
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

N-(3-Methylbutyl)adenosine

N-(3-Methylbutyl)adenosine is an adenosine analog. Adenosine analogs mostly act as smooth muscle vasodilators and have also been shown to inhibit cancer progression. Its popular products are adenosine phosphate, Acadesine (HY-13417), Clofarabine (HY-A0005), Fludarabine phosphate (HY-B0028) and Vidarabine (HY-B0277)[1].

  • CAS Number: 17659-78-8
  • MF: C15H23N5O4
  • MW: 337.37
  • Catalog: Nucleoside Antimetabolite/Analog
  • Density: 1.57
  • Boiling Point: 632.9ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 336.5ºC

1-Isopropyltryptophan

1-Isopropyltryptophan (1-IsoPT) is a IDO1 inhibitor. 1-Isopropyltryptophan decreases the expression of IFN-γ stimulated ID0-1 and ID0-2 mRNA[1].

  • CAS Number: 1219485-46-7
  • MF: C14H18N2O2
  • MW: 246.30
  • Catalog: Indoleamine 2,3-Dioxygenase (IDO)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

MAT2A-IN-12

MAT2A Allosteric inhibitor 2 is a potent and selective MAT2A allosteric inhibitor with an IC50 of 5 nM. MAT2A Allosteric inhibitor 2 shows nanomolar activity (IC50=5 μM) in the the proliferation assay (MTAP-/- cell line)[1].

  • CAS Number: 631897-75-1
  • MF: C20H17NO3
  • MW: 319.35
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

CSRM617 hydrochloride

CSRM617 hydrochloride (CSRM-617) is a small-molecule inhibitor of the transcription factor ONECUT2 (OC2) with Kd of 7.43 uM in SPR assays, binds to OC2-HOX domain directly; inhibits cell growth and induced apoptosis in vitro in several PC cell lines that expressed moderate to high levels of OC2; significantly downregulates PEG10 protein levels in tumors from mice treated with CSRM617, suppresseses metastasis in 22Rv1 cells implanted subcutaneously nude mice.

  • CAS Number: 1353749-74-2
  • MF: C10H14ClN3O5
  • MW: 291.688
  • Catalog: Apoptosis
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Osimertinib (AZD9291)

Osimertinib (AZD-9291) is an irreversible and mutant selective EGFR inhibitor with IC50s of 12 and 1 nM against EGFRL858R and EGFRL858R/T790M, respectively.

  • CAS Number: 1421373-65-0
  • MF: C28H33N7O2
  • MW: 499.607
  • Catalog: EGFR
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Anticancer agent 3

Anticancer agent 3 (Compound 4) is a anti-cancer agent[1].

  • CAS Number: 146537-05-5
  • MF: C20H25N3OS
  • MW: 355.49700
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Propanamide,N-[(1S,2R,3E,5E,7S,9E,11E,13S,15R,19R)-7,13-dihydroxy-1,4,10,19-tetramethyl-17,18-dioxo-16-oxabicyclo[13.2.2]nonadeca-3,5,9,11-tetraen-2-yl]-2-oxo-

Lankacidin C is an inhibitor of protein synthesis in vitro. Lankacidin C inhibits the activity of L1210 leukemia, B16 melanoma and 6C3 HED/OG lymphosarcoma cell lines. Lankacidin C has antibacterial activity and antitumor activity[1][2].

  • CAS Number: 23623-31-6
  • MF: C25H33NO7
  • MW: 459.53200
  • Catalog: Bacterial
  • Density: 1.23g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

PIM1-IN-1

PIM1-IN-1 is a potent and highly selective PIM1/3 inhibitor, with IC50s of 7, 5530 and 70 nM for PIM1, PIM2, and PIM3, respectively, inhibits the phosphorylation of BAD, a downstream target of PIM, with an EC50 of 262 nM. PIM1-IN-1 shows no obvious effect on FLT3 or hERG binding. Antiproliferative and anti-cancer activity[1].

  • CAS Number: 1417630-95-5
  • MF: C25H30N8O2
  • MW: 474.56
  • Catalog: Pim
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Axatilimab

Axatilimab (SNDX-6352) is a humanized IgG4 antibody with high affinity to CSF-1R. Axatilimab can be used for the research of chronic graft versus host disease (cGVHD) and neoplastic diseases[1][2].

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

GDC-0575 dihydrochloride

GDC-0575 dihydrochloride is an orally bioavailable CHK1 inhibitor, with an IC50 of 1.2 nM, and has antitumor activity.

  • CAS Number: 1657014-42-0
  • MF: C16H22BrCl2N5O
  • MW: 451.19
  • Catalog: Checkpoint Kinase (Chk)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

PARP1-IN-11

PARP1-IN-11 (compound 49) is a potent PARP1 inhibitor with IC50 value of 0.082 µM. PARP1-IN-11 shows complete inhibition of PARP2 and substantially inhibits PARP3, TNKS1 and TNKS2[1].

  • CAS Number: 2482484-87-5
  • MF: C16H12N2O4
  • MW: 296.28
  • Catalog: PARP
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

ABL-L

ABL-L induces apoptosis of human laryngocarcinoma cells through p53-dependent pathway.

  • CAS Number: 1613152-39-8
  • MF: C29H46O6
  • MW: 490.67
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Ganoderic acid A

Ganoderic acid can Inhibitt of the JAK-STAT3 signaling pathway, also inhibit proliferation, viability, ROS.In vitro: A lower doses of Ganoderic acid enhance HLA class II-mediated antigen presentation and CD4+ T cell recognition of lymphoma. [1] ganoderic acid A promots cisplatin-induced cell death by enhancing the sensitivity of HepG2 cells to cisplatin mainly via the signal transducer and activator of transcription 3 suppression. [2] Ganoderic acid A inhibits proliferation, viability, ROS, DPPH, and analyzed the expression of SOD1, SOD2, and SOD3 by Real time PCR in a PC-3 cell in a dose-dependent manner.[3] GA-A effectively inhibites the proliferation of human osteosarcoma HOS and MG-63 cells in a dose-dependent manner, and induced obvious cell apoptosis in both cells.[4]In vivo: Ganoderic acid -treatment significantly prolonged survival of EL4 challenged mice and decreased tumor metastasis to the liver.[1]

  • CAS Number: 81907-62-2
  • MF: C30H44O7
  • MW: 516.67
  • Catalog: Cancer
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 700.3±60.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 391.3±29.4 °C

soyasapogenol B

Soyasapogenol B, an ingredient of soybean, exerts anti-proliferative, anti-metastatic activities. Soyasapogenol B triggers endoplasmic reticulum stress, which mediates apoptosis and autophagy in colorectal cancer[1][2].

  • CAS Number: 595-15-3
  • MF: C30H50O3
  • MW: 458.716
  • Catalog: Apoptosis
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 555.5±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 226.6±24.7 °C

Complanatoside

Complanatuside is a flavonoid found in the traditional Chinese medicine Semen Astragali Complanati.

  • CAS Number: 116183-66-5
  • MF: C28H32O16
  • MW: 624.544
  • Catalog: Cancer
  • Density: 1.7±0.1 g/cm3
  • Boiling Point: 975.0±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 320.2±27.8 °C

ICMT-IN-5

ICMT-IN-5 (compound 46) is an inhibitor of ICMT (IC50=0.3 μM)[1].

  • CAS Number: 1313602-92-4
  • MF: C22H28FNO
  • MW: 341.46
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

(-)-DHMEQ

(–)-DHMEQ is a potent NF-κB inhibitor.

  • CAS Number: 287194-40-5
  • MF: C13H11NO5
  • MW: 261.23000
  • Catalog: NF-κB
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

isatin

Isatin (Indoline-2,3-dione) is a potent inhibitor of monoamine oxidase (MAO) with an IC50 of 3 μM. Also binds to central benzodiazepine receptors (IC50 against clonazepam, 123 μM)[1]. Also acts as an antagonist of both atrial natriuretic peptide stimulated and nitric oxide-stimulated guanylate cyclase activity[2]. Shows effect on the serotonergic system[3].

  • CAS Number: 91-56-5
  • MF: C8H5NO2
  • MW: 147.131
  • Catalog: Monoamine Oxidase
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 360.3±52.0 °C at 760 mmHg
  • Melting Point: 193-195 °C (dec.)(lit.)
  • Flash Point: 171.7±30.7 °C

Cyclohexanecarboxylicacid

1-Caffeoylquinic acid is an effective NF-κB inhibitor, shows significant binding affinity to the RH domain of p105 with Ki of 0.002 μM and binding energy of 1.50 Kcal/mol[1]. 1-Caffeoylquinic acid has anti-oxidative stress ability[2]. 1-Caffeoylquinic acid inhibits PD-1/PD-L1 interact[3].

  • CAS Number: 1241-87-8
  • MF: C16H18O9
  • MW: 354.309
  • Catalog: Cancer
  • Density: 1.7±0.1 g/cm3
  • Boiling Point: 636.2±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 234.5±25.0 °C

Cenisertib

Cenisertib (AS-703569) is a multi-kinase inhibitor that blocks the activity of Aurora-kinase-A/B, ABL1, AKT, STAT5 and FLT3. Cenisertib induces major growth-inhibitory effects by blocking the activity of several different molecular targets in neoplastic mast cells (MC)[1]. Cenisertib inhibits tumor growth in xenograft models of pancreatic, breast, colon, ovarian, and lung tumors and leukemia[2].

  • CAS Number: 871357-89-0
  • MF: C24H30FN7O
  • MW: 451.540
  • Catalog: Aurora Kinase
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 708.3±70.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 382.2±35.7 °C

3,4,5-trimethoxyphenyl β-glucopyranoside

Koaburaside monomethyl ether is a phenolic glycoside that can be isolated from Averrhoa carambola L.[1].

  • CAS Number: 41514-64-1
  • MF: C15H22O9
  • MW: 346.330
  • Catalog: Cancer
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 558.6±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 291.6±30.1 °C