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| Targets |
CRTh2 (chemoattractant receptor-homologous molecule expressed on Th2 cells), also known as DP2 or GPR44. CRTh2 antagonist 2 is a potent and selective inhibitor of CRTh2 with an IC50 of ≤10 nM. CRTh2 is a G protein-coupled receptor that binds prostaglandin D2 (PGD2), a major pro-inflammatory mediator produced by mast cells and other immune cells. Activation of CRTh2 on Th2 cells, eosinophils, and basophils promotes chemotaxis, cytokine production, and other effector functions that drive allergic inflammation. By blocking CRTh2, this antagonist inhibits PGD2-mediated signaling and reduces Th2-driven inflammatory responses. CRTh2 is a validated therapeutic target for allergic diseases.
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| ln Vitro |
CRTH2 (chemotactic receptor homolog expressed on Th2 cells) protein, also known as GPR44, is a G protein-coupled receptor (GPCR) that prostaglandin D2 (PGD2) activates to produce the strongest ligand. Prostaglandin D2 synthase (PTGDS) produces PGD2 [1].
CRTh2 antagonist 2 demonstrates potent in vitro activity against CRTh2 with an IC50 of ≤10 nM. In cell-based assays, the compound inhibits PGD2-induced chemotaxis and activation of CRTh2-expressing cells. The compound's selectivity for CRTh2 over other prostanoid receptors has been confirmed in selectivity profiling studies. CRTh2 antagonist 2 is used to study the role of CRTh2 in allergic inflammation and other diseases. Further detailed in vitro data, including IC50 values and selectivity profiles, are available in patent US20140148470A1. |
| ln Vivo |
In vivo activity of CRTh2 antagonist 2 has been investigated in preclinical models of allergic inflammation, asthma, and atopic diseases. By blocking CRTh2, the compound inhibits PGD2-mediated inflammatory responses and may reduce symptoms in allergic disease models. The compound can also be used in research of androgenic alopecia. However, specific in vivo data, including efficacy in animal models, pharmacokinetics, and toxicity, are not extensively detailed in the available literature summary. Further information would be available in the primary research publications and patent US20140148470A1.
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| Enzyme Assay |
Receptor binding assays for CRTh2 antagonist 2 are performed using cell membranes expressing recombinant CRTh2. The compound is incubated with the receptor and a radiolabeled ligand (e.g., [³H]PGD2), and the inhibition of ligand binding is measured. The IC50 of ≤10 nM is determined from competition binding curves. Selectivity against other prostanoid receptors (DP1, EP1-4, FP, IP, TP) is assessed using similar binding assays with membranes expressing each receptor. Functional assays, such as calcium mobilization or cAMP inhibition, are used to confirm antagonist activity.
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| Cell Assay |
Cell-based assays for CRTh2 antagonist 2 are conducted using cells expressing CRTh2, such as Th2 cells, eosinophils, or cell lines transfected with CRTh2. Cells are treated with the compound and stimulated with PGD2, and the following endpoints are assessed: chemotaxis (by Boyden chamber or transwell assays), calcium mobilization (by fluorescent calcium indicators), cAMP levels (by ELISA), and cytokine production (by ELISA or flow cytometry). The compound's ability to inhibit PGD2-induced cell activation is evaluated.
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| Animal Protocol |
In vivo studies for CRTh2 antagonist 2 would typically involve administration to animal models of allergic inflammation, such as ovalbumin-induced asthma models or atopic dermatitis models. The compound's ability to inhibit CRTh2-mediated inflammatory responses can be assessed by measuring inflammatory cell infiltration, cytokine levels, and disease severity. However, specific in vivo data for CRTh2 antagonist 2 are not extensively detailed in the available literature summary.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of CRTh2 antagonist 2 are not extensively reported in the available literature. As a small molecule CRTh2 antagonist with a molecular weight of 474.94, the compound would be expected to have reasonable bioavailability if administered appropriately, though this would need to be confirmed experimentally. Storage recommendations include standard conditions for research compounds.
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| Toxicity/Toxicokinetics |
As a research chemical, CRTh2 antagonist 2 is not intended for human or veterinary use, and comprehensive toxicological data are not extensively reported in the available literature. Standard laboratory safety precautions should be followed when handling the compound, including the use of appropriate personal protective equipment (gloves, lab coat, safety glasses) and proper ventilation.
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| References | |
| Additional Infomation |
CRTh2 antagonist 2 is a potent and selective CRTh2 inhibitor (IC50 ≤ 10 nM) that is used to study allergic inflammation, asthma, atopic diseases, and androgenic alopecia. It is compound Example 1 from patent US20140148470A1. The compound is not approved for clinical use and is supplied for research purposes only. It is available from multiple chemical suppliers.
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| Molecular Formula |
C26H23CLN4O3
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| Molecular Weight |
474.938824892044
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| Exact Mass |
474.145
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| CAS # |
780763-95-3
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| PubChem CID |
9826188
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| Appearance |
Off-white to light yellow solid powder
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| LogP |
5.1
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
7
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| Heavy Atom Count |
34
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| Complexity |
700
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| Defined Atom Stereocenter Count |
0
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| SMILES |
ClC1=C(CC(=O)O)C(=NC(CC2C=CC(=CC=2)NC(C2=CC=C3C=CC=CC3=C2)=O)=N1)N(C)C
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| InChi Key |
CUNNBJJEJUDKNN-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C26H23ClN4O3/c1-31(2)25-21(15-23(32)33)24(27)29-22(30-25)13-16-7-11-20(12-8-16)28-26(34)19-10-9-17-5-3-4-6-18(17)14-19/h3-12,14H,13,15H2,1-2H3,(H,28,34)(H,32,33)
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| Chemical Name |
2-[4-chloro-6-(dimethylamino)-2-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]pyrimidin-5-yl]acetic acid
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| Synonyms |
CRTh2 antagonist 2; CRTh2 antagonist 2
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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 |
| 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) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.1055 mL | 10.5276 mL | 21.0553 mL | |
| 5 mM | 0.4211 mL | 2.1055 mL | 4.2111 mL | |
| 10 mM | 0.2106 mL | 1.0528 mL | 2.1055 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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