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

boc-(r)-3-thienylglycine

Boc-(R)-3-thienylglycine is a Glycine (HY-Y0966) derivative[1].

  • CAS Number: 33130-97-1
  • MF: C11H15NO4S
  • MW: 257.30600
  • Catalog: Others
  • Density: 1.273g/cm3
  • Boiling Point: 425.2ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 210.9ºC

Sulfo-NHS-Acetate sodium

Sulfo-NHS-Acetate sodium is an alkyl chain-based PROTAC linker. Sulfo-NHS-Acetate sodium can be used in the synthesis of PROTACs[1].

  • CAS Number: 221222-61-3
  • MF: C6H6NNaO7S
  • MW: 259.17
  • Catalog: PROTAC Linker
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Sodium hexadecyl sulfate-d33

Sodium hexadecyl sulfate-d33 is the deuterium labeled Sodium hexadecyl sulfate[1].

  • CAS Number: 2708287-31-2
  • MF: C16HD33NaO4S
  • MW: 378.70
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

prop-2-enyl N-[9-chloro-7-(prop-2-enoxycarbonylamino)acridin-2-yl]carbamate

2,7-Bis(alloxycarbonylamino)-9-chloroacridine can be used as a fluorescent label.

  • CAS Number: 887353-21-1
  • MF: C21H18ClN3O4
  • MW: 411.83800
  • Catalog: Others
  • Density: 1.382g/cm3
  • Boiling Point: 530ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 274.3ºC

endo-BCN-PEG3-acid

endo-BCN-PEG3-acid is a PEG-based PROTAC linker can be used in the synthesis of PROTACs.

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

Fenbufen-d9

Fenbufen-d9 (CL-82204-d9) is the deuterium labeled Fenbufen. Fenbufen (CL-82204) is an orally active non-steroidal anti-inflammatory drug (NSAID), with analgetic and antipyretic effects. Fenbufen has potent activity in a variety of animal model, including carageenin edema, UV erythema and adjuvant arthritis. Fenbufen has inhibitory activities against COX-1 and COX-2 with IC50s of 3.9 μM and 8.1 μM, respectively. Fenbufen is a caspases (caspase-1, 3, 4, 5, 9) inhibitor[1][2][3][4][5].

  • CAS Number: 1189940-96-2
  • MF: C16H5D9O3
  • MW: 263.34
  • Catalog: Caspase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Boc-D-Trp(For)-OH

Boc-D-Trp(For)-OH, containing the amino acid tryptophan, is synthesized by the ammonolysis of Boc-protected D-alanine, followed by cyclization to form a dipeptide with ninhydrin. Boc-D-Trp(For)-OH has pharmacological properties, including inhibition of growth hormone release, induction of sleep and antiinflammatory[1][2].

  • CAS Number: 64905-10-8
  • MF: C17H20N2O5
  • MW: 332.35100
  • Catalog: Inflammation/Immunology
  • Density: 1.26g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

meso-CF3-BODIPY 2

meso-CF3-BODIPY 2 (CF3-substituted Tetramethyl BODIPY) is a fluorescent dye with the absorption wavelength (λabs) of 553 nm and emission wavelength (λem) of 622 nm. meso-CF3-BODIPY 2 can be used in labeling reagents and photodynamic therapy[1][2].

  • CAS Number: 1642327-22-7
  • MF: C14H14BF5N2
  • MW: 316.08
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

GP 1A

GP1a is a potent agonist of cannabinoid receptor 2 (CB2). Gp1a is beneficial to skin wound healing. GP1a inhibits inflammation and fibrogenesis while promoting re-epithelialization[1].

  • CAS Number: 511532-96-0
  • MF: C23H22Cl2N4O
  • MW: 441.353
  • Catalog: Cannabinoid Receptor
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Syk-IN-1

Syk-IN-1 (compound 4) is a potent Syk inhibitor, with an IC50 of 35 nM[1].

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

Anticancer agent 103

Anticancer agent 103 (Compound 2k) is a potent anticancer agent[1].

  • CAS Number: 2914922-78-2
  • MF: C18H20BrN3O
  • MW: 374.27
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Boc-C16-COOH

Boc-C16-COOH is a non-cleavable ADC linker used in the synthesis of antibody-drug conjugates (ADCs). Boc-C16-COOH is also a alkyl chain-based PROTAC linker that can be used in the synthesis of PROTACs[1]

  • CAS Number: 843666-40-0
  • MF: C22H42O4
  • MW: 370.56600
  • Catalog: ADC Linker
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Ezetimibe-d4

Ezetimibe-d4 is deuterium labeled Ezetimibe. Ezetimibe (SCH 58235) is a potent cholesterol absorption inhibitor. Ezetimibe is a Niemann-Pick C1-like1 (NPC1L1) inhibitor, and is a potent Nrf2 activator.

  • CAS Number: 1093659-89-2
  • MF: C24H17D4F2NO3
  • MW: 413.45
  • Catalog: Autophagy
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Copeptin (human) trifluoroacetate salt

Copeptin (human) is a diagnostic and prognostic biomarker for cardiovascular disease (CVD). Copeptin (human) is also the carboxyl terminus of the arginine vasopressin (AVP) precursor peptide. Copeptin (human) can be used in the study of cardiovascular disease[1].

  • CAS Number: 78362-34-2
  • MF: C28H48O5S
  • MW: 496.743
  • Catalog: Cardiovascular Disease
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 622.8±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 330.5±31.5 °C

SAGE-217

SAGE-217 is a potent GABAA receptor agonist with EC50s of 296 and 163 nM for α1β2γ2 and α4β3δ GABAA receptors, respectively.

  • CAS Number: 1632051-40-1
  • MF: C25H35N3O2
  • MW: 409.56
  • Catalog: GABA Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

O-Desmethylangolensin

O-Desmethylangolensin is a metabolite of soy isoflavone, daidzein metabolized by gut microbiota. O-Desmethylangolensin possesses antioxidant activity[1][2].

  • CAS Number: 21255-69-6
  • MF: C15H14O4
  • MW: 258.26900
  • Catalog: Metabolic Disease
  • Density: 1.329g/cm3
  • Boiling Point: 483.3ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 260.2ºC

HJB97

HJB97 is a high-affinity BET inhibitor with Kis of 0.9±0.2 nM (BRD2 BD1), 0.27±0.09 nM (BRD2 BD2), 0.18±0.01 nM (BRD3 BD1), 0.21±0.03 nM (BRD3 BD2), 0.5±0.2 nM (BRD4 BD1), 1.0±0.1 nM (BRD4 BD2), respectively. HJB97 is a PROTAC BET degrader. Antitumor activity[1].

  • CAS Number: 2093391-24-1
  • MF: C26H28N8O3
  • MW: 500.55
  • Catalog: Epigenetic Reader Domain
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Azido-PEG5-CH2CO2-PFP

Azido-PEG5-CH2CO2-PFP is a PEG- and Alkyl/ether-based PROTAC linker can be used in the synthesis of PROTACs[1].

  • CAS Number: 2144777-92-2
  • MF: C18H22F5N3O7
  • MW: 487.38
  • Catalog: PROTAC Linker
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Disodium edetate dihydrate

Ethylenediaminetetraacetic acid (EDTA) disodium dihydrate is a chelating agent used as a protease inhibitor and metal ion scavenger. Ethylenediaminetetraacetic acid disodium dihydrate is used extensively during protein purification. Ethylenediaminetetraacetic acid disodium dihydrate has been shown to be a noneffective molecule on cellulase activity. Ethylenediaminetetraacetic acid disodium dihydrate binds to metals including calcium and facilitates their excretion[1][2].

  • CAS Number: 6381-92-6
  • MF: C10H18N2Na2O10
  • MW: 372.237
  • Catalog: Metabolic Disease
  • Density: 1.01 g/mL at 25 °C
  • Boiling Point: >100 °C
  • Melting Point: 250 °C (dec.)(lit.)
  • Flash Point: 325.2ºC

Diflunisal

Diflunisal (MK-647) is a salicylate derivative with nonsteroidal anti-inflammatory and uricosuric properties, which is used alone as an analgesic and in rheumatoid arthritis patients. The mechanism of action of diflunisal is as a Cyclooxygenase (COX) Inhibitor.

  • CAS Number: 22494-42-4
  • MF: C13H8F2O3
  • MW: 250.198
  • Catalog: Inflammation/Immunology
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 386.9±42.0 °C at 760 mmHg
  • Melting Point: 32-36 °C
  • Flash Point: 187.8±27.9 °C

APS-2-79

APS-2-79 behaves as a kinase suppressor of Ras (KSR)-dependent antagonist of RAF-mediated MEK phosphorylation. APS-2-79 binds directly to KSR2 within the KSR2-MEK1 complex with an IC 50 of 120±23 nM for KSR2.

  • CAS Number: 2002381-25-9
  • MF: C23H21N3O3
  • MW: 387.431
  • Catalog: MEK
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 528.6±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 273.5±30.1 °C

1,1-Dimethylurea-d6

1,1-Dimethylurea-d6 is the deuterium labeled 1,1-Dimethylurea[1].

  • CAS Number: 1219802-32-0
  • MF: C3H2D6N2O
  • MW: 94.15
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

1,3,5,6-Tetrahydroxyxanthone

1,3,5,6-Tetrahydroxyxanthone is a natural xanthone that can be isolated from Garcinia achachairu Rusby (Clusiaceae) branches. 1,3,5,6-Tetrahydroxyxanthone induces diuresis and saluresis in normotensive and hypertensive rats[1].

  • CAS Number: 5084-31-1
  • MF: C13H8O6
  • MW: 260.19900
  • Catalog: Cardiovascular Disease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

CXCR4 antagonist 5

CXCR4 antagonist 5 (compound 23) is a highly potent CXCR4 antagonist with an IC50 value of 8.8 nM. CXCR4 antagonist 5 can inhibit CXCL12-induced cytosolic calcium increase (IC50 = 0.02 nM) and inhibits CXCR4/CXLC12-mediated chemotaxis. CXCR4 antagonist 5 has good physicochemical properties and in vitro safety profiles, inhibiting CYP isozymes and hERG marginally or moderately[1].

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

solifenacin

Solifenacin is a novel muscarinic receptor antagonist with pKis of 7.6, 6.9 and 8.0 for M1, M2 and M3 receptors, respectively.

  • CAS Number: 242478-37-1
  • MF: C23H26N2O2
  • MW: 362.465
  • Catalog: mAChR
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 505.5±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 259.5±30.1 °C

Chaetoglobosin A

Chaetoglobosin A, the active principle within the extract of Penicillium aquamarinium, is a member of the cytochalasan family. Chaetoglobosin A preferentially induces apoptosis. Chaetoglobosin A targets filamentous actin in CLL cells and thereby induces cell-cycle arrest and inhibits membrane ruffling and cell migration[1].

  • CAS Number: 50335-03-0
  • MF: C32H36N2O5
  • MW: 528.63900
  • Catalog: Apoptosis
  • Density: 1.3 g/cm3
  • Boiling Point: 789.7ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 431.4ºC

N-Arachidonyl maleimide

N-Arachidonyl maleimide is a potent, irreversible inhibitor of monoacylglycerol lipase (MAGL) with an IC50 value of 140 nM[1].

  • CAS Number: 876305-42-9
  • MF: C24H35NO2
  • MW: 369.540
  • Catalog: MAGL
  • Density: 1.0±0.1 g/cm3
  • Boiling Point: 492.9±34.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 185.2±18.0 °C

PD-1/PD-L1-IN-22

PD-1/PD-L1-IN-22 (Example 2) is a small-molecule inhibitor of the PD-1/PD-L1 protein-protein interaction. PD-1/PD-L1-IN-22 blocks PD-1/PD-L1 with the IC50 of 0.732 μM. PD-1/PD-L1-IN-22 can be used for the research of cancers, infectious diseases and autoimmune diseases[1].

  • CAS Number: 2159063-12-2
  • MF: C25H26BrClN2O3
  • MW: 517.84
  • Catalog: PD-1/PD-L1
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

rubrofusarin-6-glucoside

Rubrofusarin 6-O-β-D-glucopyranoside, the glycoside of Rubrofusarin, is a protein tyrosine phosphatase 1B (PTP1B) inhibitor with the IC50 of 87.36 μM. Rubrofusarin 6-O-β-D-glucopyranoside can be used for the research of comorbid diabetes and depression[1].

  • CAS Number: 132922-80-6
  • MF: C21H22O10
  • MW: 434.39300
  • Catalog: Phosphatase
  • Density: 1.558g/cm3
  • Boiling Point: 734.8ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 260.2ºC

Arzoxifene

Arzoxifene (LY353381) is an orally active selective estrogen receptor modulator with a fixed ring structure similar to raloxifene. Arzoxifene has minimal side effects with powerful antiestrogenic effects on breast cancer and endometrium, with equally strong favorable estrogenic effects on bone and lipid profile[1].

  • CAS Number: 182133-25-1
  • MF: C28H29NO4S
  • MW: 475.59900
  • Catalog: Metabolic Disease
  • Density: 1.234g/cm3
  • Boiling Point: 656.4ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 350.8ºC