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

BR351

BR351 is a brain penetrant MMP inhibitor with IC50s of 4, 2, 11, 50 nM for MMP2, MMP8, MMP9 and MMP13, respectively[1]. Potential tools for the molecular imaging of activated MMPs with PET[2].

  • CAS Number: 960113-85-3
  • MF: C20H25FN2O5S
  • MW: 424.49
  • Catalog: MMP
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

3′-O-Demethyl-4′-N-demethyl-4′-N-acetyl-4′-epi-staurosporine

3′-O-Demethyl-4′-N-demethyl-4′-N-acetyl-4′-epi-staurosporine (Compound 7) is an inhibitor of protein kinases, with IC50s of 0.092, 0.26, 0.77 μM for PKC-α, ROCK, ASK1. 3′-O-Demethyl-4′-N-demethyl-4′-N-acetyl-4′-epi-staurosporine shows potent cytotoxicity against PC-3 cancer cells with an IC50 value of 0.16 μM[1].

  • CAS Number: 2226941-29-1
  • MF: C28H24N4O4
  • MW: 480.51
  • Catalog: ROCK
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

JNJ-67856633

JNJ-67856633 is an orally active, first-in-class, potent, selective and allosteric MALT1 protease inhibitor. JNJ-67856633 in some cases lead to tumor stasis[1][2][3].

  • CAS Number: 2230273-76-2
  • MF: C20H11F6N5O2
  • MW: 467.32
  • Catalog: MALT1
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Phen-DC 3

Phen-DC3 is a G-quadruplex (G4) specific ligand which can inhibit FANCJ and DinG helicases with IC50s of 65±6 and 50±10 nM, respectively.

  • CAS Number: 942936-75-6
  • MF: C34H26N6O2
  • MW: 550.61
  • Catalog: DNA/RNA Synthesis
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

AU-16235

AU-16235 is an inactive epimer of AU-15330. AU-16235 has no effect on cancer cell survival and growth[1]

  • CAS Number: 2380275-40-9
  • MF: C39H49N9O5S
  • MW: 755.93
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

nelumol a

Nelumol A is a farnesoid X receptor (FXR) agonist[1].

  • CAS Number: 77836-86-3
  • MF: C21H30O4
  • MW: 346.46
  • Catalog: FXR
  • Density: 1.0±0.1 g/cm3
  • Boiling Point: 500.5±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 256.5±30.1 °C

N-Boc-D-tert-leucine

Boc-D-tert-leucine is a leucine derivative[1].

  • CAS Number: 124655-17-0
  • MF: C11H21NO4
  • MW: 231.289
  • Catalog: Others
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 350.0±25.0 °C at 760 mmHg
  • Melting Point: 118-121ºC
  • Flash Point: 165.5±23.2 °C

SHU9119

SHU 9119 is a potent human melanocortin 3 and 4 receptors (MC3/4R) antagonist and a partial MC5R agonist; with IC50 values of 0.23, 0.06, and 0.09 nM for human MC3R, MC4R and MC5R, respectively.

  • CAS Number: 168482-23-3
  • MF: C54H71N15O9
  • MW: 1074.237
  • Catalog: Peptides
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Bis-propargyl-PEG9

Bis-propargyl-PEG9 is a PEG-based PROTAC linker used in the synthesis of PROTACs. Bis-propargyl-PEG9 can be used to synthesize the bivalent estrogen receptor ligands[1].

  • CAS Number: 1351373-47-1
  • MF: C24H42O10
  • MW: 490.584
  • Catalog: PROTAC Linker
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 529.5±45.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 197.4±28.6 °C

YNT-185

YNT-185 is a nonpeptide, selective orexin type-2 receptor (OX2R) agonist, with EC50s of 0.028 and 2.75 μM for OX2R and OX1R, respectively. YNT-185 ameliorates narcolepsy-cataplexy symptoms in mouse models[1][2].

  • CAS Number: 1804978-81-1
  • MF: C33H37N5O5S
  • MW: 615.74
  • Catalog: Orexin Receptor (OX Receptor)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Ald-Ph-amido-PEG3-C-COOH

Ald-Ph-amido-PEG3-C-COOH is a noncleavable linker used for the antibody-drug conjugate (ADC).

  • CAS Number: 1007215-91-9
  • MF: C16H21NO7
  • MW: 339.34
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

(S)-2-[(R)-(2,3,4,5,6-pentafluorophenoxy)phenoxyphosphorylamino]propionic acid isopropyl ester

Isopropyl ((R)-(perfluorophenoxy)(phenoxy)phosphoryl)-L-alaninate can be used to synthesis Sofosbuvir (HY-15005) to avoid the production of sofibuvir degradation impurities[1].

  • CAS Number: 1337529-56-2
  • MF: C18H17F5NO5P
  • MW: 453.29700
  • Catalog: Infection
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

cIAP1 Ligand-Linker Conjugates 12

E3 ligase Ligand-Linker Conjugates 38 incorporates a cIAP ligand for the E3 ubiquitin ligase, and a PROTAC linker. E3 ligase Ligand-Linker Conjugates 38 can be used to design PROTAC degrader[1].

  • CAS Number: 2095244-52-1
  • MF: C46H64N4O12S2
  • MW: 929.15
  • Catalog: E3 Ligase Ligand-Linker Conjugate
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

1H-Thieno[3,4-d]imidazole-4-valeric acid, hexahydro-2-oxo-, stereoisomer (8CI)

L-Biotin, also known as biotin, is a water-soluble vitamin that is an essential cofactor in the carboxylation of several enzymes. L-Biotin is involved in fatty acid synthesis and amino acid metabolism[1].

  • CAS Number: 21788-37-4
  • MF: C10H16N2O3S
  • MW: 244.31100
  • Catalog: Metabolic Disease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Phenylac-Gly-Lys-OH

(S)-6-Amino-2-(2-(2-phenylacetamido)acetamido)hexanoic acid is a lysine derivative[1].

  • CAS Number: 113969-25-8
  • MF: C16H23N3O4
  • MW: 321.37200
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Cyclophosphamide (hydrate)

Cyclophosphamide hydrate is a synthetic alkylating agent chemically related to the nitrogen mustards with antineoplastic and immunosuppressive activities.

  • CAS Number: 6055-19-2
  • MF: C7H17Cl2N2O3P
  • MW: 279.101
  • Catalog: DNA Alkylator/Crosslinker
  • Density: N/A
  • Boiling Point: 336.1ºC at 760 mmHg
  • Melting Point: 49-51 °C(lit.)
  • Flash Point: >230 °F

ZK-90055 (hydrochloride)

ZK-90055 hydrochloride is a β2 adrenergic receptor agonist.

  • CAS Number: 84638-81-3
  • MF: C16H23ClN2O4
  • MW: 342.81800
  • Catalog: Adrenergic Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

N-[(3-Chloro-4-fluorophenyl)sulfonyl]glycine

((3-Chloro-4-fluorophenyl)sulfonyl)glycine is a glycine derivative.

  • CAS Number: 613657-33-3
  • MF: C8H7ClFNO4S
  • MW: 267.66200
  • Catalog: Others
  • Density: 1.599 g/cm3
  • Boiling Point: 457.8ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 230.7ºC

QM295

QM295 is an endoplasmic reticulum oxidation 1 (ERO1) inhibitor with selectively reversible thiol reactivity. QM295 can be used for the research of endoplasmic reticulum stress[1].

  • CAS Number: 1241046-32-1
  • MF: C17H13NO4
  • MW: 295.29
  • Catalog: Metabolic Disease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Lipoxin A4

Lipoxin A4 (LXA4), an endogenous lipoxygenase-derived eicosanoid mediator, has potent dual pro-resolving and anti-inflammatory properties[1]. Lipoxin A4 inhibits proliferation and inflammatory cytokine/chemokine production of human epidermal keratinocytes (NHEKs) associated with the ERK1/2 and NF-kB pathways[2]. Lipoxin A4 inhibits serum amyloid A (SAA)-mediated IL-8 release with an IC50 value of 25.74 nM[3].

  • CAS Number: 89663-86-5
  • MF: C20H32O5
  • MW: 352.47
  • Catalog: Interleukin Related
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 589.4±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 324.3±26.6 °C

Quilizumab

Quilizumab (Anti-Human NGcGM3 Recombinant Antibody) is a humanized IgG1κ monoclonal antibody. Quilizumab targets the M1-prime segment of membrane-expressed IgE, leading to depletion of IgE-switched and memory B cells. Quilizumab has the potantial for the asthma research[1].

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

L(+)-Lysine monohydrate

L-Lysine hydrate is an essential amino acid. L-Lysine hydrate can be research for vascular calcification (VC) and acute pancreatitis[1][2].

  • CAS Number: 39665-12-8
  • MF: C6H16N2O3
  • MW: 164.20300
  • Catalog: Others
  • Density: N/A
  • Boiling Point: 400ºC at 760 mmHg
  • Melting Point: 212-214 °C
  • Flash Point: 195.7ºC

2’-Deoxy-3’,2-anhydrouridine

2’-Deoxy-3’,2-anhydrouridine 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: 26922-44-1
  • MF: C9H10N2O4
  • MW: 210.19
  • Catalog: Nucleoside Antimetabolite/Analog
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Phenylethyl β-D-galactopyranoside

2-Phenylethyl β-D-galactopyranoside (Phenethyl β-D-galactoside) can be synthesized catalyzed by Aspergillus oryzae β-galactosidase[1].

  • CAS Number: 14861-16-6
  • MF: C14H20O6
  • MW: 284.30500
  • Catalog: Others
  • Density: 1.36g/cm3
  • Boiling Point: 486.8ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 248.2ºC

polythiazide (200 mg)

Polythiazide is a potent and orally active thiazide diuretic agent that has antihypertensive effect. Polythiazide can decrease edema and decrease blood pressure. Polythiazide also has phototoxicity[1][2][3].

  • CAS Number: 346-18-9
  • MF: C11H13ClF3N3O4S3
  • MW: 439.88200
  • Catalog: Cardiovascular Disease
  • Density: 1.598g/cm3
  • Boiling Point: 580.1ºC at 760mmHg
  • Melting Point: 202.5°
  • Flash Point: 304.7ºC

Agatolimod

Agatolimod (ODN 2006), a class B ODN (oligodeoxynucleotide), is a TLR9 agonist. Agatolimod is also an optimal CpG sequence for humans. Agatolimod stimulates very strong production of NO2 and IL-6 in HD11 cells. Agatolimod can be used for breast cancer research. Sequence: 5'-tcgtcgttttgtcgttttgtcgtt-3'[1][2].

  • CAS Number: 525625-52-9
  • MF:
  • MW:
  • Catalog: Toll-like Receptor (TLR)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

kojic acid

Kojic acid is a natural substance produced by Aspergillus oryzae, also used as an anti-oxidant and radio-protective agent[1].

  • CAS Number: 501-30-4
  • MF: C6H6O4
  • MW: 142.11
  • Catalog: Infection
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 401.7±45.0 °C at 760 mmHg
  • Melting Point: 152-155 °C(lit.)
  • Flash Point: 179.9±22.2 °C

Radotinib

Radotinib(IY-5511) is a novel and selective BCR-ABL1 tyrosine kinase inhibitor with IC50 of 34 nM for wild-type BCR-ABL1 kinase.IC50 value: 34 nM [1]Target: BCR-ABL1 inhibitorRadotinib is a BCR-ABL1 specific 2nd-generation tyrosine kinase inhibitor. According to recently conducted in vitro kinase assays, the IC50 value for radotinib against wild-type BCR-ABL1 kinase was 34 nM, which is relatively lower compared with the IC50 levels of c-kit (1,324 nM), PDGFR (PDGFRα, 75.5 nM; PDGFRβ, 130 nM) and src (>2,000 nM). Also, radotinib effectively inhibited the proliferation of common mutant clones of BCR-ABL1, with the exception of T315I. In an off-target kinase assay to assess safety, DDR, EPHB, LYN, and PDGFR kinases were inhibited below the 180 nM level.

  • CAS Number: 926037-48-1
  • MF: C27H21F3N8O
  • MW: 530.504
  • Catalog: Bcr-Abl
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

FMRF

FMRF is a peptide consisting of 4 amino acid residues.

  • CAS Number: 74012-06-9
  • MF: C29H41N7O5S
  • MW: 599.74500
  • Catalog: Peptides
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

SCD inhibitor 1

SCD inhibitor 1 is a stearoyl-coa desaturase (SCD) extracted from patent WO/2009060053 A1, compound example 16.

  • CAS Number: 1150701-66-8
  • MF: C18H16Cl2N4O2
  • MW: 391.251
  • Catalog: Stearoyl-CoA Desaturase (SCD)
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A