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 >
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Plecanatide

Plecanatide, an analogue of uroguanylin, is an orally active guanylate cyclase-C (GC-C) receptor agonist, with an EC50 of 190 nM in T84 cells. Plecanatide can be used for the research of chronic idiopathic constipation, and it also shows anti-inflammatory activity in models of murine colitis[1][2][3].

  • CAS Number: 467426-54-6
  • MF: C65H104N18O26S4
  • MW: 1681.886
  • Catalog: Guanylate Cyclase
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 2120.0±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 1235.9±34.3 °C

(+)-Norfenfluramine

(+)-Norfenfluramine a major hepatic metabolite of (+)-fenfluramine, is a selective 5-HT2B receptor agonist (Ki: 11.2 nM). (+)-Norfenfluramine potently stimulates the hydrolysis of inositol phosphates and increases intracellular Ca2+. (+)-Norfenfluramine can be used for the research of primary pulmonary hypertension and valvular heart disease[1].

  • CAS Number: 19036-73-8
  • MF: C10H12F3N
  • MW: 203.20400
  • Catalog: 5-HT Receptor
  • Density: 1.152g/cm3
  • Boiling Point: 215.2ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 88.9ºC

SOS1-IN-3

SOS1-IN-3 is a potent SOS1 (son of sevenless homolog 1) inhibitor with an IC50 of 5 nM. SOS1-IN-3 has anticancer effects (WO2019122129A1; compound I-1)[1].

  • CAS Number: 2359689-76-0
  • MF: C21H21F3N4O
  • MW: 402.41
  • Catalog: Ras
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

(Rac)-Rotigotine hydrochloride

rac-Rotigotine Hcl is a high potency and selectivity agonist for D-2 receptor with Ki of 0.69 nM. IC50 Value: 0.69 nM(Ki)Target: D-2 receptorin vitro: rac-Rotigotine showed high potency (Ki = 0.69 nM) and selectivity for D-2 receptors as compared to its potency and selectivity at various other neuronal receptors (Ki in nM): D-1 (678) dopamine, alpha 1-(534) and alpha 2-(195) adrenoceptor, S1-(6940) and S2-(5900) serotonin and muscarine (2660). Very low activity (Ki greater than 10(-5) M) was seen at the beta-adrenoceptor, A1-adenosine, GABAA and benzodiazepine receptors. Furthermore, rac-Rotigotine inhibited the calcium-dependent release of [3H]dopamine (IC50: 4 nM) and [3H]acetylcholine (IC50: 6.3 nM) from rabbit striatal slices in the nanomolar range. These effects of rac-Rotigotine were mediated through activation of D-2 dopamine autoreceptors and D-2 dopamine heteroreceptors, respectively.in vivo: Presynaptic dopaminergic activity in vivo was measurable as an inhibition of the locomotor activity of mice, and in this model rac-Rotigotine was more effective than apomorphine. Moreover, the effect of rac-Rotigotine could be antagonized by sulpiride but not by yohimbine. rac-Rotigotine was equipotent with apomorphine in inducing circling behaviour in 6-OHDA-lesioned rats. rac-Rotigotine had almost no serotonergic activity in vivo.

  • CAS Number: 102120-99-0
  • MF: C19H26ClNOS
  • MW: 351.93400
  • Catalog: Dopamine Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Inupadenant hydrochloride

Inupadenant (EOS-850) hydrochloride is an orally active, highly selective A2A receptor antagonist. Inupadenant hydrochloride is not brain-penetrant. Inupadenant hydrochloride has potent anti-tumor activity[1].

  • CAS Number: 2411004-22-1
  • MF: C25H27ClF2N8O4S2
  • MW: 641.11
  • Catalog: Adenosine Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

NGD 94-1

NGD94-1 is a specific dopamine D4 receptor antagonist. NGD94-1 can effectively reverse Phencyclidine-induced cognitive impairment in marmosets. NGD94-1 can be used in the study of psychiatric diseases[1].

  • CAS Number: 178928-68-2
  • MF: C18H20N6
  • MW: 320.39
  • Catalog: Dopamine Receptor
  • Density: 1.259g/cm3
  • Boiling Point: 578.2ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 303.5ºC

Deflazacort

Deflazacort is a glucocorticoid used as an anti-inflammatory and immunosuppressant.Target: Glucocorticoid ReceptorDeflazacort is an inactive prodrug which is converted rapidly to the active metabolite 21-desacetyldeflazacort. Maximum concentrations of 21-desacetyldeflazacort averaged 116 ng/ml and were observed after 1.3 h. The average area under the curve was 280 ng/ml.h, and the terminal half-life was 1.3 h. 21-Desacetyldeflazacort was cleared significantly faster than both methylprednisolone and prednisolone [1]. Two of 40 boys treated with deflazacort died at 13 and 18 years of age from cardiac failure. The treated boys were significantly shorter, did not have excessive weight gain and 22 of 40 had asymptomatic cataracts. Deflazacort has a very significant impact on health, quality of life and health care costs for boys with DMD and their families, and is associated with few side effects [2].

  • CAS Number: 14484-47-0
  • MF: C25H31NO6
  • MW: 441.517
  • Catalog: Glucocorticoid Receptor
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 595.4±50.0 °C at 760 mmHg
  • Melting Point: 255-256.5ºC
  • Flash Point: 313.9±30.1 °C

BMS-764459

BMS-764459 is a CRF1 antagonist. BMS-764459 can be used for the research of neurological disorders such as depression and anxiety. BMS-764459 is also an atypical CYP1A1 inducer[1][2].

  • CAS Number: 1188407-45-5
  • MF: C19H21F2N5O3
  • MW: 405.39900
  • Catalog: CRFR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Olcegepant hydrochloride

Olcegepant hydrochloride is the first potent and selective non-peptide antagonist of the calcitonin gene-related peptide 1 (CGRP1) receptor with IC50 of 0.03 nM and with a Ki of 14.4 pM for human CGRP.

  • CAS Number: 586368-06-1
  • MF: C38H47Br2N9O5.HCl
  • MW: 906.11
  • Catalog: CGRP Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

SB 242084

SB 242084 hydrochloride is a 5-HT2C receptor antagonist(pKi=9.0) that displays 158- and 100-fold selectivity over 5-HT2A and 5-HT2B receptors respectively.IC50 value: 9.0(pKi) [1]Target: 5-HT2C antagonistin vitro: SB 242084 had over 100-fold selectivity over a range of other 5-HT, dopamine and adrenergic receptors. In studies of 5-HT-stimulated phosphatidylinositol hydrolysis using SH-SY5Y cells stably expressing the cloned human 5-HT2C receptor, SB 242084 acted as an antagonist with a pKb of 9.3, which closely resembled its corresponding receptor binding affinity [1].in vivo: SB 242084 potently inhibited m-chlorophenylpiperazine (mCPP, 7 mgkg i.p. 20 min pre-test)-induced hypolocomotion in rats, a model of in vivo central 5-HT2C receptor function, with an ID50 of 0.11 mg/kg i.p., and 2.0 mg/kg p.o. SB 242084 (0.1-1 mg/kg i.p.) exhibited an anxiolytic-like profile in the rat social interaction test, increasing time spent in social interaction, but having no effect on locomotion. SB 242084 (0.1-1 mg/kg i.p.) also markedly increased punished responding in a rat Geller-Seifter conflict test of anxiety, but had no consistent effect on unpunished responding [1].

  • CAS Number: 1049747-87-6
  • MF: C21H21Cl3N4O2
  • MW: 467.78
  • Catalog: 5-HT Receptor
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 620.1±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 328.8±31.5 °C

Tocrifluor T1117

Tocrifluor 1117 (T1117), a fluorescent form of the cannabinoid CB1 receptor antagonist AM251, is a selective fluorescent GPR55 ligand. Tocrifluor 1117 is a potent tool for identifying the cellular location of cannabinoid receptors (including GPR55 in living tissues) (Ex/Em=543/590 nm)[1][2].

  • CAS Number: 1186195-59-4
  • MF: C56H53Cl2N7O5
  • MW: 974.970
  • Catalog: Cannabinoid Receptor
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

CAY10471 Racemate

CAY10471 Racemate (TM30089 Racemate) is a potent and highly selective prostaglandin D2 receptor CRTH2 antagonist, with a Ki of 0.6 nM for hCRTH2, selective over human thromboxane A2 receptor TP (Ki, >10000 nM) or PGD2 receptor DP (Ki, 1200 nM). CAY10471 Racemate also has effect on mouse and rat orthologs of CRTH2[1].

  • CAS Number: 844639-57-2
  • MF: C21H21FN2O4S
  • MW: 416.46600
  • Catalog: Prostaglandin Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

SRX246

SRX246 is a potent, CNS-penetrant, highly selective, orally bioavailable vasopressin 1a (V1a) receptor antagonist (Ki=0.3 nM for human V1a). SRX246 has no interaction at V1b and V2 receptors. SRX246 also displays negligible binding at 64 others receptors classes, including 35 G-proteincoupled receptors. SRX246 is under development for the treatment of stress-related disorders[1].

  • CAS Number: 512784-93-9
  • MF: C42H49N5O5
  • MW: 703.87
  • Catalog: Vasopressin Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Efaroxan hydrochloride

Efaroxan hydrochloride is a potent and selective α2-adrenoceptor antagonist, antidiabetic activity. Efaroxan hydrochloride is a selective I1-Imidazoline receptor antagonist and can be used for the research of cardiovascular disease[1][2][3].

  • CAS Number: 89197-00-2
  • MF: C13H17ClN2O
  • MW: 252.740
  • Catalog: Adrenergic Receptor
  • Density: N/A
  • Boiling Point: 387ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 187.9ºC

Substance P acetate salt

Substance P is a neuropeptide, acting as a neurotransmitter and as a neuromodulator.The endogenous receptor for substance P is neurokinin 1 receptor (NK1-receptor, NK1R). Sequence: Arg-Pro-Lys-Pro-Gln-Gln-Phe-Phe-Gly-Leu-Met-NH2.

  • CAS Number: 33507-63-0
  • MF: C63H98N18O13S
  • MW: 1347.630
  • Catalog: Peptides
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Firazorexton

Firazorexton is a potent orexin type 2 receptor (OX2R) agonist (patent WO2019027058A1, example 395)[1].

  • CAS Number: 2274802-95-6
  • MF: C22H25F3N2O4S
  • MW: 470.51
  • Catalog: Orexin Receptor (OX Receptor)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Dinoprostone

Prostaglandin E2 is a hormone-like substance that participate in a wide range of body functions such as the contraction and relaxation of smooth muscle, the dilation and constriction of blood vessels, control of blood pressure, and modulation of inflammation.

  • CAS Number: 363-24-6
  • MF: C20H32O5
  • MW: 352.465
  • Catalog: Prostaglandin Receptor
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 530.1±50.0 °C at 760 mmHg
  • Melting Point: 66-68 °C
  • Flash Point: 288.5±26.6 °C

Talipexole

Talipexole (B-HT920) is a dopamine agonist that has been proposed as an antiparkinsonian agent.Target: Dopamine ReceptorB-HT920 is a selective alpha 2-adrenoceptor agonist. The effects of B-HT920 have been specified using the alpha-adrenergic antagonists yohimbine and prazosin and the dopamine antagonist haloperidol. Yohimbine could not antagonize any of the actions of B-HT920. Pretreatment with prazosin showed a decrease in the loss of body weight caused by B-HT920, while pretreatment with yohimbine showed that B-HT920 induced an increased loss in body weight. These data suggest that B-HT920 under certain conditions exerts dopamine-agonistic actions in stimulating locomotor activity and alpha 1-adrenergic actions in inducing salivation and enhanced loss of body weight [1]. Concomitant treatment with talipexole, an anti-parkinsonian drug, inhibited MPTP-induced autolysis and individual death in a concentration-dependent manner. Pramipexole showed a similar protective effect. In addition, post-treatment with talipexole at 1 hr after MPTP completely inhibited MPTP-induced individual death. Although MPTP treatment caused 30% of the planarians to undergo autolysis and individual death within 12 hr, post-treatment with talipexole even at 12 hr completely rescued the remaining 70% of the planarians from death. These results suggest that the MPTP-treated planarian may be useful as a novel parkinsonian model in which talipexole has a protective effect even in the case of post-treatment [2].

  • CAS Number: 101626-70-4
  • MF: C10H15N3S
  • MW: 209.31
  • Catalog: Dopamine Receptor
  • Density: 1.167g/cm3
  • Boiling Point: 364.6ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 174.3ºC

Cenicriviroc

Cenicriviroc is an orally active, dual CCR2/CCR5 antagonist, also inhibits both HIV-1 and HIV-2, and displays potent anti-inflammatory and antiinfective activity.

  • CAS Number: 497223-25-3
  • MF: C41H52N4O4S
  • MW: 696.941
  • Catalog: HIV
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 913.5±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 506.3±34.3 °C

KRAS G12C inhibitor 51

KRAS G12C inhibitor 51 (example 1) is a KRAS G12C inhibitor[1].

  • CAS Number: 2762632-78-8
  • MF: C33H35FN6O3
  • MW: 582.67
  • Catalog: Ras
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Flibanserin D4

Flibanserin D4 is a deuterium labeled Flibanserin (BIMT-17). Flibanserin is a full agonist of the serotonin 5-HT1A receptor (Ki=1 nM) and an antagonist of 5-HT2A (49 nM)[1].

  • CAS Number: 2122830-90-2
  • MF: C20H17D4F3N4O
  • MW: 394.43
  • Catalog: 5-HT Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

norfenefrine

Norfenefrine is an orally active, endogenously found α-adrenergic agonist and can be used for the research of female stress incontinence[1][2].

  • CAS Number: 536-21-0
  • MF: C8H11NO2
  • MW: 153.178
  • Catalog: Adrenergic Receptor
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 360.7±27.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 172.0±23.7 °C

Tolazoline hydrochloride

Tolazoline(NSC35110; Imidaline) Hcl is a non-selective competitive α-adrenergic receptor antagonist.IC50 value:Target: α-adrenoceptor antagonistTolazoline can be synthesized by the heterocyclation of the ethyl ester of iminophenzylacetic acid with ethylene diamine, which forms the desired product. The structure of tolazoline is strikingly similar to α-adrenergic agonists, which are antiedema sympathomimetics.

  • CAS Number: 59-97-2
  • MF: C10H13ClN2
  • MW: 196.677
  • Catalog: Adrenergic Receptor
  • Density: 1.09g/cm3
  • Boiling Point: 338.2ºC at 760mmHg
  • Melting Point: 172-176 °C
  • Flash Point: 158.3ºC

Irbesartan D4

Irbesartan D4 is the deuterium labeled Irbesartan, which is a highly potent and specific angiotensin II type 1 (AT1) receptor antagonist.

  • CAS Number: 1216883-23-6
  • MF: C25H24D4N6O
  • MW: 432.55400
  • Catalog: Angiotensin Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Valsartan

Valsartan (CGP-48933) is an angiotensin II receptor antagonist for treatment of high blood pressure and heart failure.

  • CAS Number: 137862-53-4
  • MF: C24H29N5O3
  • MW: 435.519
  • Catalog: Angiotensin Receptor
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 684.9±65.0 °C at 760 mmHg
  • Melting Point: 116-117°C
  • Flash Point: 368.0±34.3 °C

Diprenorphine

Diprenorphine is a non-selective opioid antagonist with Ki values of 0.017, 0.072 and 0.23 nM against κ-, μ- and δ-opioid receptors, respectively[1]. Diprenorphine can be used for central poststroke pain (CPSP) research[1].

  • CAS Number: 14357-78-9
  • MF: C26H35NO4
  • MW: 425.56000
  • Catalog: Opioid Receptor
  • Density: 1.33 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

FSCPX

FSCPX is a potent and selective irreversible antagonist of A1 adenosine receptor (A1AR), with low nanomolar potency for binding to the A1AR. FSCPX could modifies the effect of NBTI, a nucleoside transport inhibitor, by reducing the interstitial adenosine level in the guinea pig atrium[1][2].

  • CAS Number: 156547-56-7
  • MF: C23H27FN4O6S
  • MW: 506.54700
  • Catalog: Adenosine Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Desglymidodrine

Desglymidodrine (ST 1059), the active metabolite of midodrine, is a selective α1-adrenoceptor agonist. Desglymidodrine is an effective arterial and venous vasoconstrictor and can be used to regulate blood pressure[1][2].

  • CAS Number: 3600-87-1
  • MF: C10H15NO3
  • MW: 197.23100
  • Catalog: Adrenergic Receptor
  • Density: N/A
  • Boiling Point: 364.3ºC at 760mmHg
  • Melting Point: 146-150ºC dec.
  • Flash Point: 174.1ºC

PF-03246799

A potent and selective 5-HT2C receptor agonist with EC50 of 190 nM, with excellent selectivity for 5-HT2C over 5-HT2A; has minimal activation at either the 5-HT(2A) or 5-HT(2B) receptors, demonstrates robust efficacy in preclinical canine model of stress urinary incontinence (SUI) and attractive pharmacokinetic and safety properties.

  • CAS Number: 1065110-62-4
  • MF: C15H17N3
  • MW: 239.316
  • Catalog: 5-HT Receptor
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 418.2±33.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 206.7±25.4 °C

Methyldopate

Methyldopate is an ethyl ester prodrug of α-Methyldopa (α-MD; HY-B0225). Methyldopa (L-(-)-α-Methyldopa) is an α-adrenergic agonist (selective for α2-adrenergic receptors). Methyldopate has the potential for severe hypertension research [1].

  • CAS Number: 6014-30-8
  • MF: C12H17NO4
  • MW: 239.268
  • Catalog: Adrenergic Receptor
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 398.0±37.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 194.5±26.5 °C