G Protein Coupled Receptors (GPCRs) perceive many extracellular signals and transduce them to heterotrimeric G proteins, which further transduce these signals intracellular to appropriate downstream effectors and thereby play an important role in various signaling pathways. G proteins are specialized proteins with the ability to bind the nucleotides guanosine triphosphate (GTP) and guanosine diphosphate (GDP). In unstimulated cells, the state of G alpha is defined by its interaction with GDP, G beta-gamma, and a GPCR. Upon receptor stimulation by a ligand, G alpha dissociates from the receptor and G beta-gamma, and GTP is exchanged for the bound GDP, which leads to G alpha activation. G alpha then goes on to activate other molecules in the cell. These effects include activating the MAPK and PI3K pathways, as well as inhibition of the Na+/H+ exchanger in the plasma membrane, and the lowering of intracellular Ca2+ levels.

Most human GPCRs can be grouped into five main families named; Glutamate, Rhodopsin, Adhesion, Frizzled/Taste2, and Secretin, forming the GRAFS classification system.

A series of studies showed that aberrant GPCR Signaling including those for GPCR-PCa, PSGR2, CaSR, GPR30, and GPR39 are associated with tumorigenesis or metastasis, thus interfering with these receptors and their downstream targets might provide an opportunity for the development of new strategies for cancer diagnosis, prevention and treatment. At present, modulators of GPCRs form a key area for the pharmaceutical industry, representing approximately 27% of all FDA-approved drugs.

References:
[1] Moreira IS. Biochim Biophys Acta. 2014 Jan;1840(1):16-33.
[2] Tuteja N. Plant Signal Behav. 2009 Oct;4(10):942-7.
[3] Williams C, et al. Methods Mol Biol. 2009;552:39-50.
[4] Schiöth HB, et al. Gen Comp Endocrinol. 2005 May 15;142(1-2):94-101.
[5] Wu J, et al. Cancer Genomics Proteomics. 2012 Jan;9(1):37-50.


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 >
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ERK JNK KLF MAP3K MAP4K MAPKAPK2 (MK2) MEK Mixed Lineage Kinase MNK p38 MAPK Raf Ribosomal S6 Kinase (RSK)
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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 >
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Epanolol-d5

Epanolol-d5 (Visacor-d5) is the deuterium labeled Epanolol. Epanolol (Visacor) is a potent β-adrenoceptor partial agonist with a greater affinity for β1- than β2-adrenoceptors[1][2].

  • CAS Number: 1794938-87-6
  • MF: C20H18D5N3O4
  • MW: 374.45
  • Catalog: Adrenergic Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Plerixafor 8HCl (AMD3100 8HCl)

Plerixafor octahydrochloride is a selective CXCR4 antagonist with an IC50 of 44 nM.

  • CAS Number: 155148-31-5
  • MF: C28H62Cl8N8
  • MW: 830.500
  • Catalog: CXCR
  • Density: 0.962g/cm3
  • Boiling Point: 657.5ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 361.8ºC

Ditryptophenaline

Ditryptophenaline ((-)-Ditryptophenaline) is the metabolites of Aspergillus flavus. Ditryptophenaline inhibits substance P receptor and has anti-inflammatory activity[1].

  • CAS Number: 64947-43-9
  • MF: C42H40N6O4
  • MW: 692.80500
  • Catalog: Neurokinin Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

ATC 0175 hydrochloride

ATC0175 is a potent, selective and orally active melanin-concentrating hormone 1 recepter antagonist with IC50s of 13.5, >10000 nM for MCH1R, MCH2R, respectively. ATC0175 shows antidepressant effects and anxiolytic effects in animal models. ATC0175 has the potential for the research of depression and/or anxiety disorders[1].

  • CAS Number: 510733-97-8
  • MF: C23H26ClF2N5O
  • MW: 461.93500
  • Catalog: MCHR1 (GPR24)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Cevimeline hydrochloride hemihydrate

Cevimeline hydrochloride hemihydrate, a novel muscarinic receptor agonist, is a candidate therapeutic drug for xerostomia in Sjogren's syndrome. IC50 value:Target: mAChRThe general pharmacol. properties of this drug on the gastrointestinal, urinary, and reproductive systems and other tissues were investigated in mice, rats, guinea pigs, rabbits, and dogs. The in vitro metab. of SNI-2011 was also evaluated with rat and dog liver microsomes. After oral administration, plasma concns. of SNI-2011 reached to Cmax within 1 h in both species, suggesting that SNI-2011 was quickly absorbed, and then decreased with a t1/2 of 0.4-1.1 h. The bioavailability was 50% and 30% in rats and dogs, resp. Major metabolites in plasma were both S- and N-oxidized metabolites in rats and only N-oxidized metabolite in dogs, indicating that a large species difference was obsd. in the metab. of SNI-2011. Sex difference was also obsd. in the pharmacokinetics of SNI-2011 in rats, but not in dogs. In the in vitro study, chem. inhibition and pH-dependent studies revealed that the sulfoxidn. and N-oxidn. of SNI-2011 were mediated by cytochrome P 450 (CYP) and flavin-contg. monooxygenase (FMO), resp., in both species. In addn., CYP2D and CYP3A were mainly responsible for the sulfoxidn. in rat liver microsomes.

  • CAS Number: 153504-70-2
  • MF: C20H35ClN2O2S2
  • MW: 435.09
  • Catalog: mAChR
  • Density: 1.19g/cm3
  • Boiling Point: 308.5ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 140.4ºC

Fluticasone propionate-d5

Fluticasone propionate-d5 is deuterium labeled Fluticasone (propionate). Fluticasone propionate, a potent topical anti-inflammatory corticosteroid, is a selective glucocorticoid receptor agonist, with an absolute affinity (KD) of 0.5 nM. Fluticasone propionate shows little or no activity at other steroid receptors. Anti-viral activity[1][2].

  • CAS Number: 1093258-28-6
  • MF: C25H26D5F3O5S
  • MW: 505.60
  • Catalog: Glucocorticoid Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

SB 399885 hydrochloride

SB-399885 hydrochloride is a 5-HT6 receptor antagonist.

  • CAS Number: 402713-81-9
  • MF: C18H22Cl3N3O4S
  • MW: 482.809
  • Catalog: 5-HT Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

BQU57

BQU57 shows selective inhibition for Ral relative to Ras or Rho and inhibit xenograft tumor growth similar to depletion of Ral by siRNA. The IC50 for BQU57 of 2.0 μM in H2122 and 1.3 μM in H358.IC50 value: 2.0 μM (H2122 cell), 1.3 μM (H358 cell)Target: Ralin vitro: BQU57 inhibits Ral binding to its effector RalBP1, Ral-mediated cell spreading in murine fibroblasts and anchorage-independent growth of human cancer cell lines.in vivo: H2122 xenograft tumors are collected 3h after a single intraperitoneal injection BQU57 (10/20/50 mg/kg) and activation of Ral in the extracts is analyzed in RalBP1 pull-down assays. Both RalA and RalB are significantly inhibited by BQU57. By contrast, no inhibition of Ras and RhoA activity is observed.

  • CAS Number: 1637739-82-2
  • MF: C16H13F3N4O
  • MW: 334.296
  • Catalog: Ras
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 493.4±45.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 252.2±28.7 °C

IIIM-8

IIIM-8 is a melanogenesis inhibitor. IIIM-8 inhibits pigment production both in vitro and in vivo without incurring any cytotoxicity in Human Adult Epidermal Melanocytes (HAEM). IIIM-8 can be used for hyperpigmentation disorders research[1].

  • CAS Number: 1128053-62-2
  • MF: C14H17NO4
  • MW: 263.29
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

5-chloro-1-[1-[3-(2,3-dihydro-2-oxo-1H-benzimidazol-1-yl)propyl]piperidin-4-yl]-1,3-dihydro-2H-benzimidazol-2-one maleate

Domperidone (R33812) monomaleate is an orally active and selective dopamine-2 receptor antagonist. Domperidone monomaleate acts as an antiemetic and a prokinetic agent through its effects on the chemoreceptor trigger zone and motor function of the stomach and small intestine[1].

  • CAS Number: 83898-65-1
  • MF: C26H28ClN5O6
  • MW: 541.98300
  • Catalog: Dopamine Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

ARS-1323

ARS-1323 is a novel inhibitor of mutant K-ras G12C extracted from patent WO 2015054572 A1.

  • CAS Number: 1698024-73-5
  • MF: C21H17ClF2N4O2
  • MW: 430.84
  • Catalog: Ras
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Quetmolimab

Quetmolimab is a humanized anti-CX3CL1 monoclonal antibody. However, CX3CL1 is a chemokine with a modulating effect on chemotaxis and adhesion[1].

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

(2R,3R)-E1R

(2R,3R)-E1R (Compound 2b) is an enantiomer of E1R. (2R,3R)-E1R is a sigma-1 receptor positive allosteric modulator (Sig1R PAM) for the treatment of cognition/memory disorders[1].

  • CAS Number: 1400888-63-2
  • MF: C13H16N2O2
  • MW: 232.28
  • Catalog: Sigma Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

TSHR antagonist S37b

TSHR antagonist S37b is an enantiomer of TSHR antagonist S37a (HY-129995A), shows only a minor effect for TSHR inhibition. TSHR antagonist S37b can be used for the research of thyroid function[1].

  • CAS Number: 2143452-22-4
  • MF: C25H20N2O3S2
  • MW: 460.57
  • Catalog: TSH Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

metoclopramide hydrochloride

Metoclopramide hydrochloride hydrate is a dopamine D2 antagonist that is used as an antiemetic.IC50 Value:Target: D2 ReceptorMetoclopramide is a dopamine receptor antagonist which has been used for treatment of a variety of gastrointestinal symptoms over the last thirty years. In various countries, metoclopramide is the antiemetic drug of choice in pregnant women. Findings provide reassurance regarding the safety of metoclopramide for the fetus when the drug is given to women to relieve nausea and vomiting during pregnancy. Evidence also supports its use for gastroparesis (poor stomach emptying) and gastroesophageal reflux disease. It appears to bind to dopamine D2 receptors where it is a receptor antagonist, and is also a mixed 5-HT3 receptor antagonist/ 5-HT4 receptor agonist.

  • CAS Number: 54143-57-6
  • MF: C14H25Cl2N3O3
  • MW: 354.27
  • Catalog: Dopamine Receptor
  • Density: N/A
  • Boiling Point: 418.7ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 207ºC

Elubrixin

Elubrixin (SB-656933) is a potent, selective, competitive, reversible and orally active CXCR2 antagonist and an IL-8 receptor antagonist. Elubrixin inhibits neutrophil CD11b upregulation (IC50 of 260.7 nM) and shape change (IC50 of 310.5 nM). Elubrixin can be used for inflammatory diseases such as inflammatory bowel disease and airway inflammation[1][2][3].

  • CAS Number: 688763-64-6
  • MF: C17H17Cl2FN4O4S
  • MW: 463.31100
  • Catalog: CXCR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Leu-Enkephalin

[Leu5]-Enkephalin is a pentapeptides with morphine like properties. [Leu5]-Enkephalin is a five amino acid endogenous peptide that acts as an agonist at opioid receptors.

  • CAS Number: 58822-25-6
  • MF: C28H37N5O7
  • MW: 555.62300
  • Catalog: Peptides
  • Density: 1.274 g/cm3
  • Boiling Point: 998.8ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 557.8ºC

LY2881835

A potent, selective, orally available GPR40 agonist with EC50 of 8 nM; displays no activity against PPARα/β/γ (>10 uM); demonstrates potent, efficacious, and durable dose-dependent reductions in glucose levels along with significant increases in insulin and GLP-1 secretion in vivo.

  • CAS Number: 1292290-38-0
  • MF: C33H33NO3
  • MW: 491.620
  • Catalog: GPR40
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 676.6±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 363.0±31.5 °C

KB-5492 anhydrous

KB-5492 anhydrous is a potent and selective inhibitor of sigma receptor, inhibits specific [3H]1,3-di(2-tolyl)guanidine (DTG) binding to the sigma receptor with an IC50 of 3.15 μM. KB-5492 anhydrous is an anti-ulcer agent[1][2].

  • CAS Number: 129200-10-8
  • MF: C27H34N2O10
  • MW: 546.56600
  • Catalog: Sigma Receptor
  • Density: N/A
  • Boiling Point: 553.2ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 288.3ºC

Flavoxate-d4 hydrochloride

Flavoxate-d4 hydrochloride (Rec-7-0040-d4) is the deuterium labeled Flavoxate hydrochloride. Flavoxate Hydrochloride is a muscarinic AChR antagonist used in various urinary syndromes and as an antispasmodic[1][2].

  • CAS Number: 1189678-43-0
  • MF: C24H22ClD4NO4
  • MW: 431.94500
  • Catalog: mAChR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Roxindole

Roxindole (EMD 49980), an indot-alkyl-pipenidine, is a potent agonist at dopamine autoreceptors, with an affinity for the D2-like subtype in the low nanomolar range. Roxindole can be used for the research of positive and negative schizophrenic symptoms. Roxindole is a 5-HT1A agonist and 5-HT uptake inhibitor with high affinity for 5-HT1A (IC50=0.9 nM). Antipsychotic and antidepressant activities[1][2][3].

  • CAS Number: 112192-04-8
  • MF: C23H26N2O
  • MW: 346.47
  • Catalog: Dopamine Receptor
  • Density: 1.173g/cm3
  • Boiling Point: 575.7ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 302ºC

KRAS G12C inhibitor 59

KRAS G12C inhibitor 59 is a KRAS G12C inhibitor with anticancer effects (WO2023036282A1, compound II)[1].

  • CAS Number: 2914919-88-1
  • MF: C32H39F6N7O5
  • MW: 715.69
  • Catalog: Ras
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Raclopride-d5 hydrochloride

Raclopride-d5 (hydrochloride) is the deuterium labeled Raclopride. Raclopride is a dopamine D2/D3 receptor antagonist, which binds to D2 and D3 receptors with dissociation constants (Kis) of 1.8 nM and 3.5 nM, respectively, but has a very low affinity for D1 and D4 receptors with Kis of 18000 nM and 2400 nM, respectively[1][2].

  • CAS Number: 1217623-85-2
  • MF: C15H16D5Cl3N2O3
  • MW: 352.27
  • Catalog: Dopamine Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Eletriptan-d3

Eletriptan-d3 (Eletriptan-d3 HBr) is the deuterium labeled Eletriptan hydrobromide. Eletriptan hydrobromide is a selective 5-HT1B and 5-HT1D receptor agonist with Ki of 0.92 nM and 3.14 nM, respectively[1][2].

  • CAS Number: 1287040-94-1
  • MF: C22H23D3N2O2S
  • MW: 385.54
  • Catalog: 5-HT Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Irdabisant

Irdabisant (CEP-26401) is a selective, orally active and blood-brain barrier (BBB) penetrant histamine H3 receptor (H3R) inverse agonist/inverse agonist with Ki values of 7.2 nM and 2.0 nM for rat H3R and human H3R, respectively. Irdabisant has relatively low inhibitory activity against hERG current with an IC50 of 13.8 μM. Irdabisant has cognition-enhancing and wake-promoting activities in the rat social recognition model. Irdabisant can be used to research schizophrenia or cognitive impairment[1][2].

  • CAS Number: 1005402-19-6
  • MF: C18H23N3O2
  • MW: 313.394
  • Catalog: Histamine Receptor
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Clorprenaline hydrochloride

Clorprenaline hydrochloride is a β2-adrenergic receptor agonist.

  • CAS Number: 6933-90-0
  • MF: C11H17Cl2NO
  • MW: 268.180
  • Catalog: Adrenergic Receptor
  • Density: N/A
  • Boiling Point: 329.7ºC at 760 mmHg
  • Melting Point: 165-169ºC
  • Flash Point: 153.2ºC

Nifenalol

Nifenalol hydrochloride is a β-adrenergic receptor antagonist. Nifenalol hydrochloride induces the Early Afterdepolarization (EAD) effect. EAD is a phenomenon in cardiac electrophysiology that usually occurs during an action potential in ventricular muscle cells and can lead to arrhythmia. The EAD effect of Nifenalol hydrochloride can be blocked by Tetrodotoxin. Nifenalol hydrochloride is used in the study of conditions such as irregular heartbeat or high blood pressure[1].

  • CAS Number: 5704-60-9
  • MF: C11H17ClN2O3
  • MW: 260.72
  • Catalog: Adrenergic Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

PF-00217830

PF-00217830 is a serotonin 1A receptor agonist, dopamine D2 receptor agonist, and serotonin 2A receptor antagonist.PF-00217830 may be used in the study of schizophrenia.

  • CAS Number: 846032-02-8
  • MF: C26H30N4O2
  • MW: 430.54
  • Catalog: Dopamine Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

THIQ

THIQ is the first selective agonist of the melanocortin-4 receptor (MC4R), with high affinity and potency for hMC4R (IC50=1.2 nM, EC50=2.1 nM) and rMC4R (IC50=0.6 nM, EC50=2.9 nM). THIQ maintains low potency at MC1R, MC3R and MC5R. THIQ plays a role in eliciting erectile activity in rodents. THIQ acts as a pharmacoperone of the MC4R rescuing the cell surface expression and signaling of some intracellularly retained MC4R mutants[1][2].

  • CAS Number: 312637-48-2
  • MF: C33H41ClN6O2
  • MW: 589.17100
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Cimetidine

Cimetidine is a histamine-2 (H2) receptor antagonist.IC50 Value: Target: Histamine-2 Receptorin vitro: Cimetidine, a partial agonist for H2R, has a pharmacological profile different from ranitidine and famotidine, possibly contributing to its antitumor activity on gastrointestinal cancers [1]. Cimetidine had no effect on the uptake and cytotoxicity of cisplatin in ovarian cancer cells with high OCT2 mRNA levels (IGROV-1 cells) [2]. Cimetidine showed no effect on proliferation, survival, migration and invasion of 3LL cells. Cimetidine reversed MDSC-mediated T-cell suppression, and improved IFN-γ production. [3]. Cimetidine-mediated down-regulation of NCAM involved suppression of the nuclear translocation of NF-kappaB, a transcriptional activator of NCAM gene expression [4].in vivo: the antitumor efficacy of cisplatin in mice bearing luciferase-tagged IGROV-1 xenografts was unaffected by cimetidine (P = 0.39). Data obtained in 18 patients receiving cisplatin (100 mg/m(2)) in a randomized crossover fashion with or without cimetidine (800 mg × 2) revealed that cimetidine did not alter exposure to unbound cisplatin [2]. cimetidine reduced CD11b(+)Gr-1(+) myeloid derived-suppressive cell (MDSC) accumulation in spleen, blood and tumor tissue of tumor-bearing mice [3]. Cimetidine exerts a beneficial effect on periodontal disease in rats, decreasing the RANKL/OPG ratio in gingival connective tissue and reducing alveolar bone resorption [5].

  • CAS Number: 51481-61-9
  • MF: C10H16N6S
  • MW: 252.339
  • Catalog: Histamine Receptor
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 476.2±55.0 °C at 760 mmHg
  • Melting Point: 139-144°C
  • Flash Point: 241.8±31.5 °C