Chemsrc provides Research Areas's classification. They are divided into Others, Cancer, Cardiovascular Disease, Endocrinology, Infection, Inflammation/Immunology, Metabolic Disease, Neurological Disease according to their Biological activity.


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

12E,14-Labdadien-20,8β-olide

12E,14-Labdadien-20,8β-olide, a labdane diterpenoid, is a natural product that can be isolated from the rhizomes of Isodon yuennanensis[1].

  • CAS Number: 1639257-37-6
  • MF: C20H30O2
  • MW: 302.45
  • Catalog: Others
  • Density: 1.0±0.1 g/cm3
  • Boiling Point: 420.1±14.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 177.5±17.5 °C

Bergaptol-beta-glucopyranoside

Bergaptol O-β-D-glucopyranoside possesses anti-gastric ulcer and anti-cancer effect[1].

  • CAS Number: 131623-13-7
  • MF: C17H16O9
  • MW: 364.30400
  • Catalog: Cancer
  • Density: 1.647g/cm3
  • Boiling Point: 690.1ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 371.2ºC

(S)-(+)-1,2-Propanediol

(S)-(+)-1,2-Propanediol is an endogenous metabolite.

  • CAS Number: 4254-15-3
  • MF: C3H8O2
  • MW: 76.094
  • Catalog: Others
  • Density: 1.0±0.1 g/cm3
  • Boiling Point: 184.8±8.0 °C at 760 mmHg
  • Melting Point: -59ºC
  • Flash Point: 107.2±0.0 °C

Dodecamethylpentasiloxane

Dodecamethylpentasiloxane is a component of siloxanes and can be used as silicone oil. Dodecamethylpentasiloxane exhibits insecticidal activity against bed bug[1][2].

  • CAS Number: 141-63-9
  • MF: C12H36O4Si5
  • MW: 384.839
  • Catalog: Infection
  • Density: 0.9±0.1 g/cm3
  • Boiling Point: 284.4±23.0 °C at 760 mmHg
  • Melting Point: −81 °C(lit.)
  • Flash Point: 117.4±23.0 °C

Teopranitol

Teopranitol (KC-046), a coronary vasodilator with a rather selective venous dilatation, is used for the study of the acute myocardial ischemia[1].

  • CAS Number: 81792-35-0
  • MF: C16H22N6O7
  • MW: 410.38200
  • Catalog: Cardiovascular Disease
  • Density: 1.74g/cm3
  • Boiling Point: 663.7ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 355.2ºC

Tazemetostat trihydrochloride

Tazemetostat trihydrochloride (EPZ-6438 trihydrochloride) is a potent, selective and orally available EZH2 inhibitor. Tazemetostat trihydrochloride inhibits the activity of human polycomb repressive complex 2 (PRC2)-containing wild-type EZH2 with a Ki of 2.5 nM. Tazemetostat trihydrochloride inhibits EZH2 with IC50s of 11 and 16 nM in peptide assay and nucleosome assay, respectively. Tazemetostat trihydrochloride inhibits rat EZH2 with an IC50 of 4 nM. Tazemetostat (EPZ-6438) also inhibits EZH1 with an IC50 of 392 nM[1].

  • CAS Number: 1403255-00-4
  • MF: C34H47Cl3N4O4
  • MW: 682.12
  • Catalog: Histone Methyltransferase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Isomagnolone

Isomagnolone is isolated from Illicium burmanicum and has anti-inflammatory activity[1].

  • CAS Number: 155709-41-4
  • MF: C18H18O3
  • MW: 282.334
  • Catalog: Inflammation/Immunology
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 414.4±45.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 146.9±22.2 °C

5-Methoxy-2-benzimidazolethiol-d3

5-Methoxy-2-benzimidazolethiol-d3 is the deuterium labeled 5-Methoxy-2-benzimidazolethiol[1]. 5-Methoxy-2-benzimidazolethiol is a benzimidazole. The iodimetric determination of 5-Methoxy-2-benzimidazolethiol in alkaline media is studied[2].

  • CAS Number: 1219804-80-4
  • MF: C8H5D3N2OS
  • MW: 183.245405334
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: 253-255°C
  • Flash Point: N/A

d-talose

D-(+)-Talose is a biochemical reagent that can be used as a biological material or organic compound for life science related research.

  • CAS Number: 2595-98-4
  • MF: C6H12O6
  • MW: 180.15600
  • Catalog: Others
  • Density: 1.581 g/cm3
  • Boiling Point: 527.1ºC at 760 mmHg
  • Melting Point: 124-127ºC
  • Flash Point: 286.7ºC

2-(6-aminopurin-9-yl)-5-methylidene-oxolane-3,4-diol

4′,5′-Didehydro-5′-deoxyadenosine 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: 20535-04-0
  • MF: C10H11N5O3
  • MW: 249.23
  • Catalog: Nucleoside Antimetabolite/Analog
  • Density: 1.91g/cm3
  • Boiling Point: 591.1ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 311.3ºC

Relaxin H2 (human) trifluoroacetate salt

Serelaxin (RLX-030), a recombinant form of human gene-2 relaxin targeting the RLN receptor, is a vasoactive peptide hormone with an antifibrotic activity[1][2][3].

  • CAS Number: 99489-94-8
  • MF:
  • MW:
  • Catalog: Cardiovascular Disease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Oxyclozanide

Oxyclozanide is a salicylanilide anthelmintic drug that mainly acts by uncoupling oxidative phosphorylation in flukes.

  • CAS Number: 2277-92-1
  • MF: C13H6Cl5NO3
  • MW: 401.457
  • Catalog: Parasite
  • Density: 1.8±0.1 g/cm3
  • Boiling Point: 446.0±45.0 °C at 760 mmHg
  • Melting Point: 205 - 210ºC
  • Flash Point: 223.5±28.7 °C

Xanthosine-5'-Triphosphate

Xanthosine-5'-Triphosphate (5'-XTP), a nucleotide, is produced by deamination of purine bases[1].

  • CAS Number: 6253-56-1
  • MF: C10H15N4O15P3
  • MW: 524.16500
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Pterosin B

Pterosin B, a indanone found in bracken fern (Pteridium aquilinum), is an inhibitor of salt-inducible kinase 3 (Sik3) signaling. Pterosin B prevents chondrocyte hypertrophy and osteoarthritis in mice by inhibiting Sik3[1][2].

  • CAS Number: 34175-96-7
  • MF: C14H18O2
  • MW: 218.292
  • Catalog: Salt-inducible Kinase (SIK)
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 396.5±41.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 169.3±20.2 °C

Pachypodol

Pachypodol exerts antioxidant and cytoprotective effects in HepG2 cells[1].Pachypodol inhibits the growth of CaCo 2 colon cancer cell line in vitro(IC50 = 185.6 mM)[2].

  • CAS Number: 33708-72-4
  • MF: C18H16O7
  • MW: 344.32
  • Catalog: Cancer
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 598.8±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 220.7±23.6 °C

H-BETA-CHLORO-DL-ALA-OH HCL

2-Amino-3-chloropropanoic acid hydrochloride is an alanine derivative[1].

  • CAS Number: 35401-46-8
  • MF: C3H7Cl2NO2
  • MW: 159.999
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

SARS-CoV-2-IN-33

SARS-CoV-2-IN-33 (compound 3m) is a COVID-19 inhibitor. SARS-CoV-2-IN-33 shows anti-proliferative activity against cancer cells. SARS-CoV-2-IN-33 exhibits comparatively good binding affinity (-8.0 Kcal/mole) to COVID-19 main protease (Mpro) (PDB ID: 6LU7). SARS-CoV-2-IN-33 can be used in studies of cancer and COVID-19[1].

  • CAS Number: 299919-79-2
  • MF: C30H30N4O5
  • MW: 526.58
  • Catalog: SARS-CoV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

SIRT2-IN-10

SIRT2-IN-10 (Compound 12) is a potent SIRT2 inhibitor with an IC50 of 1.3 μM. SIRT2-IN-10 can be used for the research of cancer and neurodegenerative disease[1].

  • CAS Number: 296793-09-4
  • MF: C28H21N5OS
  • MW: 475.56
  • Catalog: Sirtuin
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Antitumor agent-38

Antitumor agent-38 is a potent antitumor agents. Antitumor agent-38 shows antiproliferative activity for cancer cells. Antitumor agent-38 induces cell cycle arrest at the late S and G2/M phase without interfering with microtubule formation or cell morphology[1].

  • CAS Number: 2744193-34-6
  • MF: C22H24N2O4
  • MW: 380.44
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

2'-Deoxy-2'-fluoro-D-inosine

2’-Deoxy-2’-fluoroinosine 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: 80049-87-2
  • MF: C10H11FN4O4
  • MW: 270.22
  • Catalog: Nucleoside Antimetabolite/Analog
  • Density: 2.01g/cm3
  • Boiling Point: 682.1ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 366.3ºC

Mal-PEG4-acid

Mal-PEG4-acid is a PEG-based PROTAC linker can be used in the synthesis of PROTACs.

  • CAS Number: 518044-41-2
  • MF: C15H23NO8
  • MW: 345.34500
  • Catalog: PROTAC Linker
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

AT2 receptor agonist C21

AT2 receptor agonist C21 is a druglike selective angiotensin II AT2 receptor agonist with Ki values of 0.4 nM and >10 µM for the AT2 receptor and AT1 receptor, respectively[1].

  • CAS Number: 477775-14-7
  • MF: C23H29N3O4S2
  • MW: 475.624
  • Catalog: Endocrinology
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Propanil

Propanil is a widely used contact herbicide, mainly use in rice production.

  • CAS Number: 709-98-8
  • MF: C9H9Cl2NO
  • MW: 218.08000
  • Catalog: Others
  • Density: 1.25
  • Boiling Point: 369.9ºC at 760 mmHg
  • Melting Point: 92-93°C
  • Flash Point: 100 °C

MK-0941 free base

MK-0941 free base is an orally active glucokinase activator, with EC50s of 240 and 65 nM for recombinant human glucokinase in the presence of 2.5 and 10 mM glucose, respectively. MK-0941 free base exhibits strong glucose-lowering activity and is a potential therapeutic agent for treatment of type 2 diabetes[1][2].

  • CAS Number: 752240-01-0
  • MF: C21H24N4O6S
  • MW: 460.50
  • Catalog: Glucokinase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Palonosetron

Palonosetron is a 5-HT3 antagonist used in the prevention and treatment of chemotherapy-induced nausea and vomiting (CINV).IC50 Value:Target: 5-HT3 ReceptorPalonosetron is the most effective of the 5-HT3 antagonists in controlling delayed CINV nausea and vomiting that appear more than 24 hours after the first dose of a course of chemotherapy.

  • CAS Number: 135729-61-2
  • MF: C19H24N2O
  • MW: 296.407
  • Catalog: 5-HT Receptor
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 470.4±45.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 209.5±21.1 °C

TX1-85-1

TX1-85-1 is a Her3 (ErbB3) inhibitor with an IC50 of 23 nM. TX1-85-1 induces partial degradation of Her3 protein and attenuates Her3-dependent signaling[1].

  • CAS Number: 1603845-32-4
  • MF: C32H36N8O3
  • MW: 580.679999999999
  • Catalog: EGFR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

MRT67307 dihydrochloride

MRT67307 dihydrochloride is a dual inhibitor of the IKKε and TBK-1 with IC50s of 160 and 19 nM, respectively[1]. MRT67307 dihydrochloride also inhibits ULK1 and ULK2 with IC50s of 45 and 38 nM, respectively. MRT67307 dihydrochloride also blocks autophagy in cells[2].

  • CAS Number: 1781882-89-0
  • MF: C26H38Cl2N6O2
  • MW: 537.52
  • Catalog: Autophagy
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Mibefradil dihydrochloride hydrate

Mibefradil dihydrochloride hydrate (Ro 40-5967 dihydrochloride hydrate) is a effectively long-acting calcium channel antagonist, used as an antihypertensive agent. Mibefradil dihydrochloride hydrate acts via a higher affinity block for low-voltage-activated (T) than for high-voltage-activated (L) calcium channels[1].

  • CAS Number: 1049728-52-0
  • MF: C29H42Cl2FN3O4
  • MW: 586.57
  • Catalog: Calcium Channel
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

(R)-BMS-816336

(R)-BMS-816336 (Compound 6n-1) is a potent and orally active inhibitor of human, mouse and cynomolgus monkey 11β-hydroxysteroid dehydrogenase type 1 (11β-HSD1) enzyme with IC50s of 14.5 nM, 50.3 nM and 16 nM, respectively [1].

  • CAS Number: 1009583-83-8
  • MF: C21H27NO3
  • MW: 341.44
  • Catalog: Metabolic Disease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

ISRPPGFSPFR

T-kinin (Ile-Ser-bradykinin) is a peptide containing bradykinin. T-kinin can be used for the research of inflammation[1][2].

  • CAS Number: 86030-63-9
  • MF: C59H89N17O14
  • MW: 1260.44000
  • Catalog: Infection
  • Density: 1.47 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A