| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 50mg |
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| Other Sizes |
| Targets |
CID1231538 specifically targets GPR35, an orphan G protein-coupled receptor that has been implicated in a variety of diseases, including type 2 diabetes, inflammatory pain, metabolic disorders, and gastric cancer. It acts as a potent antagonist at this receptor, with an IC50 of 0.55 μM (550 nM) in a β-arrestin recruitment assay. This activity makes it a key tool for studying GPR35 function.
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| ln Vitro |
Due to its correlation with a multitude of illnesses, such as type 2 diabetes, nociceptive pain, inflammation, moderate mental retardation syndrome, metabolic problems, and gastric cancer, GPR35 has drawn particular attention[1].
In vitro, CID1231538 is a potent GPR35 antagonist. It inhibits agonist-induced redistribution of β-arrestin-2 with an EC50 of 550.0 nM and inhibits zaprinast-induced effects with an IC50 of 4560.0 nM in cells expressing GPR35. It also exhibits a range of other bioactivities, including inhibition of ERK1/2 activity in GPR35-overexpressing cells and tau fibril formation. |
| ln Vivo |
In vivo activity data for CID1231538 are not extensively detailed. As a potent GPR35 antagonist, it is a valuable tool for studying the role of this receptor in various disease models. It could be used to investigate the effects of GPR35 blockade on pain, inflammation, and cancer, but specific in vivo protocols are not mentioned in the search results.
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| Enzyme Assay |
For non-cellular in vitro receptor binding assays, CID1231538 is characterized using radioligand binding or other biophysical techniques to confirm its affinity and selectivity for GPR35. These assays are essential for establishing its mechanism of action as a direct antagonist at the receptor and for determining its potency (IC50 = 0.55 μM).
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| Cell Assay |
For in vitro cellular assays, the activity of CID1231538 is evaluated in cells expressing GPR35. A typical functional assay measures its ability to inhibit agonist-induced β-arrestin recruitment. In these assays, CID1231538 exhibits an EC50 of 550 nM. This confirms its antagonistic activity and is used to study its pharmacology.
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| Animal Protocol |
In vivo animal studies with CID1231538 would typically be conducted in mouse models to investigate the role of GPR35 in various diseases. For example, it could be used in models of inflammatory pain, type 2 diabetes, or gastric cancer. The compound can be administered via various routes, including oral or intraperitoneal injection, depending on the study design.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for CID1231538 are not extensively documented. As a small-molecule antagonist with a molecular weight of 524.05, it is expected to have moderate oral bioavailability. It is soluble in DMSO at 55 mg/mL (104.95 mM), which facilitates formulation for both in vitro and in vivo studies. Specific parameters such as half-life and clearance are not available.
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| Toxicity/Toxicokinetics |
Toxicological data for CID1231538 are limited. As a research compound, it is intended for laboratory use only and not for human therapeutic applications. Its safety profile has not been established for clinical use. At the concentrations used in research, it is generally considered to have low toxicity, but standard laboratory safety practices should always be followed.
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| References | |
| Additional Infomation |
CID1231538 is a benzothiazole-derived potent GPR35 antagonist with an IC50 of 0.55 μM. It has a molecular weight of 524.05. It also exhibits other bioactivities, including inhibition of ERK1/2, tau fibril formation, and ALDH1A1. It is a key research tool for studying the role of GPR35 in cancer, diabetes, and inflammation.
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| Molecular Formula |
C26H22CLN3O3S2
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|---|---|
| Molecular Weight |
524.05
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| Exact Mass |
523.079
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| CAS # |
354126-20-8
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| PubChem CID |
1231538
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| Appearance |
White to off-white solid powder
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| Density |
1.5±0.1 g/cm3
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| Index of Refraction |
1.725
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| LogP |
3
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
6
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| Heavy Atom Count |
35
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| Complexity |
733
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1COCCN1C(=O)C2=CC=CC=C2C(=O)NC3=CC4=C(C=C3)N=C(S4)SCC5=CC=C(C=C5)Cl
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| InChi Key |
GMOURXCDGUPWHH-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C26H22ClN3O3S2/c27-18-7-5-17(6-8-18)16-34-26-29-22-10-9-19(15-23(22)35-26)28-24(31)20-3-1-2-4-21(20)25(32)30-11-13-33-14-12-30/h1-10,15H,11-14,16H2,(H,28,31)
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| Chemical Name |
N-[2-[(4-chlorophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-2-(morpholine-4-carbonyl)benzamide
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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: This product requires protection from light (avoid light exposure) during transportation and storage. |
| 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: 50 mg/mL (95.41 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 1 mg/mL (1.91 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 10.0 mg/mL clear DMSO stock solution to 400 μL of PEG300 and mix evenly; then add 50 μL of Tween-80 to the above solution and mix evenly; then add 450 μL of 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: ≥ 1 mg/mL (1.91 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 10.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.9082 mL | 9.5411 mL | 19.0821 mL | |
| 5 mM | 0.3816 mL | 1.9082 mL | 3.8164 mL | |
| 10 mM | 0.1908 mL | 0.9541 mL | 1.9082 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.
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