| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
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| Other Sizes |
Purity: ≥98%
| Targets |
GSK3004774 targets the calcium‑sensing receptor (CaSR), a G‑protein‑coupled receptor that regulates calcium homeostasis. As a nonabsorbable agonist, it acts on gut CaSR to modulate gastrointestinal physiology, potentially affecting calcium absorption and gut hormone secretion.
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|---|---|
| ln Vitro |
In vitro, GSK3004774 activates human CaSR with EC50 50 nM and shows species‑dependent activity (pEC50 7.3 human, 6.6 mouse, 6.5 rat). It is a full agonist in calcium mobilisation assays using CaSR‑expressing cells.
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| ln Vivo |
In vivo, as a nonabsorbable compound, its effects are limited to the gastrointestinal tract; it is useful for studying gut‑specific CaSR functions without systemic calcium perturbations. Specific in vivo efficacy data are not detailed but support its use as a research tool.
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| Enzyme Assay |
CaSR agonism is assessed in cell‑free binding assays using membrane preparations from CaSR‑expressing cells and a radiolabelled ligand; however, functional assays (calcium mobilisation) are more common. No enzymatic cell‑free assay exists; binding affinity can be measured by SPR.
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| Cell Assay |
Cell‑based assays use CaSR‑expressing HEK or CHO cells loaded with calcium‑sensitive dye; compound is added, and intracellular calcium increase is measured to generate EC50 for agonism.
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| Animal Protocol |
In vivo studies involve oral administration of GSK3004774 to rodents; gut‑specific effects (e.g., calcium absorption, hormone levels) are measured, with minimal systemic exposure confirmed by low plasma concentrations.
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| ADME/Pharmacokinetics |
GSK3004774 (MW 528.69, C₃₂H₄₀N₄O₃) is designed to be nonabsorbable, hence its oral bioavailability is very low. This property ensures local action in the GI tract, and PK is characterised by high faecal recovery and negligible systemic levels.
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| Toxicity/Toxicokinetics |
No toxicity data are reported; however, its nonabsorbable nature minimises systemic toxicity. Local gastrointestinal effects are expected, and safety studies would focus on gut irritancy and microbiome changes.
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| References | |
| Additional Infomation |
GSK3004774 is a research tool for studying CaSR function in the gut; it is not for clinical use. Its nonabsorbable property makes it useful for dissecting peripheral versus systemic CaSR roles, and it may inform development of gut‑restricted therapeutics.
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| Molecular Formula |
C32H40N4O3
|
|---|---|
| Molecular Weight |
528.685008049011
|
| Exact Mass |
528.31
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| CAS # |
2138814-32-9
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| PubChem CID |
137628638
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| Appearance |
Off-white to light yellow solid powder
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| LogP |
2.4
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| Hydrogen Bond Donor Count |
3
|
| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
10
|
| Heavy Atom Count |
39
|
| Complexity |
792
|
| Defined Atom Stereocenter Count |
2
|
| SMILES |
OC(C1CCN(CCCNC(C2C=CC(=CC=2)N2CC[C@H](C2)N[C@@H](C)C2=CC=CC3C=CC=CC2=3)=O)CC1)=O
|
| InChi Key |
HBTVUVNVTSSIHP-KCWPFWIISA-N
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| InChi Code |
InChI=1S/C32H40N4O3/c1-23(29-9-4-7-24-6-2-3-8-30(24)29)34-27-16-21-36(22-27)28-12-10-25(11-13-28)31(37)33-17-5-18-35-19-14-26(15-20-35)32(38)39/h2-4,6-13,23,26-27,34H,5,14-22H2,1H3,(H,33,37)(H,38,39)/t23-,27+/m1/s1
|
| Chemical Name |
1-[3-[[4-[(3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]pyrrolidin-1-yl]benzoyl]amino]propyl]piperidine-4-carboxylic acid
|
| Synonyms |
GSK-3004774; GSK3004774; GSK 3004774
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: Please store this product in a sealed and protected environment, avoid exposure to moisture. |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
DMSO : ~100 mg/mL (~189.15 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (4.73 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (4.73 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (4.73 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.8915 mL | 9.4573 mL | 18.9147 mL | |
| 5 mM | 0.3783 mL | 1.8915 mL | 3.7829 mL | |
| 10 mM | 0.1891 mL | 0.9457 mL | 1.8915 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
Products are for research use only; We do not sell to patients
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