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

Tautomycetin

Tautomycetin is a potent and specifical PP1 inhibitor with the potential apoptosis-inducing activity. Tautomycetin inhibits purified PP1 and PP2A enzymes with IC50s of 1.6 nM and 62 nM, respectively. Tautomycetin is an antifungal antibiotic and has immunosuppressive effects in vivo. Tautomycetin can be used as a novel powerful tool to elucidate the physiological roles of PP1 in various biological events[1].

  • CAS Number: 119757-73-2
  • MF: C33H50O10
  • MW: 606.74400
  • Catalog: Phosphatase
  • Density: 1.148g/cm3
  • Boiling Point: 763.7ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 233.9ºC

7-(2-Hydroxyethyl)theophylline

Etofylline is a vasodilator.

  • CAS Number: 519-37-9
  • MF: C9H12N4O3
  • MW: 224.21700
  • Catalog: Cardiovascular Disease
  • Density: 1.51g/cm3
  • Boiling Point: 495.5ºC at 760mmHg
  • Melting Point: 163°C
  • Flash Point: 253.5ºC

CEP-32496 (hydrochloride)

Agerafenib hydrochloride is a highly potent and orally efficacious inhibitor of BRAFV600E with a Kd of 14 nM.

  • CAS Number: 1227678-26-3
  • MF: C24H23ClF3N5O5
  • MW: 553.91800
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

QL-X-138

QL-X-138 is a selective and potent BTK/MNK dual kinase inhibitor with IC50 of 8, 107.4, and 26 nM for BTK, MNK1, and MNK2, respectively; exhibits covalent binding to BTK and noncovalent binding to MNK; enhances the antiproliferative efficacies in vitro against a variety of B-cell cancer cell lines, as well as AML and CLL primary patient cells; arrests cell cycle progression and strongly induces apoptosis.

  • CAS Number: 1469988-63-3
  • MF: C25H19N5O2
  • MW: 421.46
  • Catalog: Influenza Virus
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

VY-3-135

VY-3-135 is an orally active, selective acetyl-CoA synthetase 2 (ACSS2) inhibitor with an IC50 value of 44 nM. VY-3-135 displayes no inhibitory activity towards recombinant human ACSS1 or ACSS3. VY-3-135 potently inhibits ACSS2 dependent fatty acid metabolism but has no effect on gene expression in tumors. VY-3-135 inhibits triple negative breast cancer (TNBC) tumor growth in mouse ACSS2high but not ACSS2low tumors models[1].

  • CAS Number: 1824637-41-3
  • MF: C26H27N3O3
  • MW: 429.51
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Alpibectir

Alpibectir is an antibacterial agent[1].

  • CAS Number: 2285440-39-1
  • MF: C12H14F6N2O2
  • MW: 332.24
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

12-Oxocalanolide A

12-Oxocalanolide A (compound 6) is a potent inhibitor of reverse transcriptase from human immunodeficiency virus type 1 (HIV-1) with an IC50 and EC50 of 2.8 and 12 μM, respectively. 12-Oxocalanolide A is the analogue of Calanolide[1].

  • CAS Number: 161753-49-7
  • MF: C22H24O5
  • MW: 368.42
  • Catalog: HIV
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 546.7±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 298.4±18.1 °C

2-BENZOTHIAZOLESULFENAMIDE, N-CYCLOHEXYL

Thiohexam is a rubber cure accelerator. Thiohexam is also a known allergen and dermatological sensitizer[1].

  • CAS Number: 95-33-0
  • MF: C13H16N2S2
  • MW: 264.409
  • Catalog: Others
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 410.4±28.0 °C at 760 mmHg
  • Melting Point: 93-100°C
  • Flash Point: 202.0±24.0 °C

4',7-Isoflavandiol

(-)-(S)-Equol is a high affinity ligand for estrogen receptor β with a Ki of 0.73 nM.

  • CAS Number: 531-95-3
  • MF: C15H14O3
  • MW: 242.270
  • Catalog: Cancer
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 441.7±45.0 °C at 760 mmHg
  • Melting Point: 189-190ºC
  • Flash Point: 220.9±28.7 °C

Delta-Gluconolactone

D-(+)-Glucono-1,5-lactone is a polyhydroxy (PHA) that is capable of metal chelating, moisturizing and antioxidant activity.

  • CAS Number: 90-80-2
  • MF: C6H10O6
  • MW: 178.140
  • Catalog: PROTAC Linker
  • Density: 0.6
  • Boiling Point: 230.35°C
  • Melting Point: 151-155 ºC
  • Flash Point: 192.3±20.3 °C

Inixaciclib

Inixaciclib is a potent CDK inhibitor, that can be used to research anticancer.

  • CAS Number: 2370913-42-9
  • MF: C26H30F2N6O
  • MW: 480.55
  • Catalog: CDK
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

H-D-Phg(4-Cl)-OH

H-D-Phg(4-Cl)-OH is a Glycine (HY-Y0966) derivative[1].

  • CAS Number: 43189-37-3
  • MF: C8H8ClNO2
  • MW: 185.608
  • Catalog: Others
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 328.8±32.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 152.7±25.1 °C

Escin IIa

Escin IIa, isolated from horse chestnut, the seeds of Aesculus hippocastanum L., has positive effects on acute inflammation in animals. Escin IIa has gastroprotections on ethanol-induced gastric mucosal lesions in rats[1][2].

  • CAS Number: 158732-55-9
  • MF: C54H84O23
  • MW: 1101.231
  • Catalog: Inflammation/Immunology
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 1111.9±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 305.5±27.8 °C

(+)-Sotalol

(+)-Sotalol ((S)-Sotalol) is the S-isomer of Sotalol (HY-103196). Sotalol is an orally active, non-selective β-adrenergic receptor blocker. (+)-Sotalol is an antiarrhythmic agent. (+)-Sotalol can prolong action potential duration in isolated cardiac muscle[1][2][3].

  • CAS Number: 30236-32-9
  • MF: C12H20N2O3S
  • MW: 272.36400
  • Catalog: Adrenergic Receptor
  • Density: 1.239g/cm3
  • Boiling Point: 443.3ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 221.9ºC

CJ-13610

CJ-13,610, a nonredox-type 5-LO inhibitor, dose dependently suppresses 5-LO product formation in ionophore A23187-stimulated PMNL in the absence of exogenous AA with an IC50 of about 70 nM[1]. PMNL: polymorphonuclear leukocytes; AA: arachidonic acid

  • CAS Number: 179420-17-8
  • MF: C22H23N3O2S
  • MW: 393.50200
  • Catalog: 5-Lipoxygenase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: 198 - 200 °C
  • Flash Point: N/A

NSC59984

NSC59984 induces mutant p53 protein degradation via MDM2 and the ubiquitin-proteasome pathway. The EC50 of NSC59984 in most cancer cells is significantly lower than those of normal cells, with EC50 of 8.38 μM for p53-null HCT116 cells.IC50 value: 8.38 μM (EC50, for p53-null HCT116 cells)Target: p53in vitro: NSC59984 specifically restores p53 pathway signaling in mutant p53-expressing human colorectal cancer cells. NSC59984 induces cell death in tumor cells but not normal cells with little or no genotoxicity. NSC59984 induces mutant p53 protein degradation through MDM2-mediated ubiquitination in cancer cells. NSC59984 restores p53 pathway signaling through activation of p73. NSC59984 induces p73-dependent cell apoptosis in cancer.in vivo: NSC59984 synergizes with CPT11 to induce cell death in mutant p53-expressing colorectal cancer cells and inhibits mutant p53-associated colon tumor xenograft growth in a p73-dependent manner.

  • CAS Number: 803647-40-7
  • MF: C12H15N3O4
  • MW: 265.265
  • Catalog: MDM-2/p53
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 451.8±45.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 227.1±28.7 °C

Fmoc-Hyp(tBu)-OH

Fmoc-Hyp(tBu)-OH is a proline derivative[1].

  • CAS Number: 122996-47-8
  • MF: C24H27NO5
  • MW: 409.475
  • Catalog: Others
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 578.6±50.0 °C at 760 mmHg
  • Melting Point: -63ºC
  • Flash Point: 303.7±30.1 °C

Propargyl-PEG3-NHS ester

Propargyl-PEG3-NHS ester is a cleavable ADC linker used in the synthesis of antibody-drug conjugates (ADCs)[1].

  • CAS Number: 1428629-71-3
  • MF: C14H19NO7
  • MW: 313.303
  • Catalog: ADC Linker
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 427.2±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 212.1±31.5 °C

5'-O-DMT-N4-Isobutyryl-2'-deoxycytidine-3'-CE phosphoramidite

IBU-DC Phosphoramidite is used for synthesis of oligonucleotides[1].

  • CAS Number: 110522-84-4
  • MF: C43H54N5O8P
  • MW: 799.891
  • Catalog: DNA/RNA Synthesis
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Sulfaguanidine

Sulfaguanidine is a sulfonamide, used as an antibiotic.

  • CAS Number: 57-67-0
  • MF: C7H10N4O2S
  • MW: 214.245
  • Catalog: Bacterial
  • Density: 1.6±0.1 g/cm3
  • Boiling Point: 426.1±47.0 °C at 760 mmHg
  • Melting Point: 190-193°C
  • Flash Point: 211.5±29.3 °C

Arofylline

Arofylline is a PDE4 inhibitor as a potential treatment for asthma.

  • CAS Number: 136145-07-8
  • MF: C14H13ClN4O2
  • MW: 304.73200
  • Catalog: Phosphodiesterase (PDE)
  • Density: 1.429g/cm3
  • Boiling Point: 562.6ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 294ºC

Pyrrhocoricin

Pyrrhocoricin is a biological active peptide. (Antimicrobial activity against Gram-negative bacteria)

  • CAS Number: 224569-84-0
  • MF: C119H190N34O38
  • MW: 2704.99
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

JNJ-40355003

JNJ-40355003 is a potent and selective atty acid amide hydrolase (FAAH) inhibitor[1].

  • CAS Number: 1394894-41-7
  • MF: C23H23ClN4O2
  • MW: 422.90700
  • Catalog: FAAH
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Ac-Asp(OtBu)-OH

AC-Asp(OtBU)-OH is an aspartic acid derivative[1].

  • CAS Number: 117833-18-8
  • MF: C10H17NO5
  • MW: 231.246
  • Catalog: Others
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 449.6±40.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 225.7±27.3 °C

3PO

3PO is a novel small-molecule inhibitor of the PFKFB3 isozyme, 3PO markedly attenuates the proliferation of several human malignant hematopoietic and adenocarcinoma cell lines (IC50, 1.4-24 μM) IC50 valueTarget: PFKFB3 isozymein vitro: 3PO inhibits recombinant PFKFB3 activity, suppresses glucose uptake, and decreases the intracellular concentration of Fru-2,6-BP, lactate, ATP, NAD+, and NADH. 3PO markedly attenuates the proliferation of several human malignant hematopoietic and adenocarcinoma cell lines (IC50, 1.4-24 μM) and is selectively cytostatic to ras-transformed human bronchial epithelial cells relative to normal human bronchial epithelial cells. The PFKFB3+/- fibroblasts were more sensitive to compound 3PO treatment (IC50, 26 μM) compared with the wild-type PFKFB3+/+transformed cells (IC50, 49 μM).3PO Causes G2-M Phase Arrest, Which Is Preceded by Decreased Fru-2,6-BP and Glucose Uptake. 3PO slows growth through inhibition of PFK-2 activity, then ectopic expression of the PFKFB3 isozyme may thwart the cytostatic activity of 3PO. [1] 3PO inhibits the glycolytic regulator PFKFB3 in endothelial cells (ECs). 3PO decreases glycolysis in ECs and impairs vessel sprouting. 3PO also suppresses vascular hyperbranching induced by inhibition of Notch or VEGF receptor 1 (VEGFR1) and amplified the antiangiogenic effect of VEGF blockade. [2]in vivo: Compound 3PO treatment significantly reduced Fru-2,6-BP in tumor xenografts compared with vehicle control (vehicle: 13.1 ± 1.9 pmol/mg, 3PO: 8.5 ± 1.7 pmol/mg). [1] 3PO also impairs (pathological) angiogenesis. [2]

  • CAS Number: 18550-98-6
  • MF: C13H10N2O
  • MW: 210.231
  • Catalog: Cancer
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 387.8±42.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 191.3±34.3 °C

(Bromomethyl)cyclohexane-d11

(Bromomethyl)cyclohexane-d11 is the deuterium labeled (Bromomethyl)cyclohexane[1].

  • CAS Number: 1219794-79-2
  • MF: C7H13Br
  • MW: 177.082
  • Catalog: Others
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 175.6±0.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 57.2±0.0 °C

NVP-BKM120 (Hydrochloride)

NVP-BKM120 Hydrochloride is a pan-class I PI3K inhibitor, with IC50 of 52 nM/166 nM/116 nM/262 nM for p110α/p110β/p110δ/p110γ, respectively.

  • CAS Number: 1312445-63-8
  • MF: C18H22ClF3N6O2
  • MW: 446.854
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Quercetin 3-O-beta-D-xylopyranoside

Reynoutrin (Quercetin-3-D-xyloside) is a flavonoid from Psidium cattleianum, with antioxidant and radical-scavenging activity[1].

  • CAS Number: 549-32-6
  • MF: C20H18O11
  • MW: 434.35
  • Catalog: Others
  • Density: 1.9±0.1 g/cm3
  • Boiling Point: 828.1±65.0 °C at 760 mmHg
  • Melting Point: 201-203℃
  • Flash Point: 296.3±27.8 °C

Bemcentinib (R428)

Bemcentinib (R428) is a potent and selective inhibitor of Axl with an IC50 of 14 nM.

  • CAS Number: 1037624-75-1
  • MF: C30H34N8
  • MW: 506.645
  • Catalog: TAM Receptor
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 799.6±70.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 437.4±35.7 °C

Thalidomide-Piperazine-PEG2-NH2

Thalidomide-Piperazine-PEG2-NH2 is a synthesized E3 ligase ligand-linker conjugate that incorporates the Thalidomide based cereblon ligand and a linker used in PROTAC technology[1].

  • CAS Number: 2357110-14-4
  • MF: C23H31N5O6
  • MW: 473.52
  • Catalog: E3 Ligase Ligand-Linker Conjugate
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A