| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg | |||
| Other Sizes |
| Targets |
ACT-1004-1239 targets the CXCR7 receptor (also known as ACKR3), a G protein-coupled receptor that binds to the chemokines CXCL11 and CXCL12 (SDF-1). CXCR7 is involved in immune cell migration, inflammation, angiogenesis, and cancer progression. By antagonizing CXCR7, ACT-1004-1239 blocks CXCR7-mediated signaling, modulating immune cell trafficking and inflammatory responses. The compound's immune-modulatory and myelin-promoting effects make it a promising candidate for the treatment of inflammatory demyelinating diseases such as multiple sclerosis.
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| ln Vitro |
In vitro, ACT-1004-1239 demonstrates potent antagonism of CXCR7 with an IC50 of 3.2 nM. The compound's activity is assessed using cell-based assays measuring CXCR7-mediated signaling, such as cAMP accumulation, β-arrestin recruitment, or chemotaxis assays. ACT-1004-1239's selectivity for CXCR7 over other chemokine receptors is assessed to minimize off-target effects. The compound's immune-modulatory and myelin-promoting effects have been demonstrated in relevant cell-based models.
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| ln Vivo |
In vivo, ACT-1004-1239 has demonstrated efficacy in preclinical models of inflammatory demyelinating diseases. The compound is orally active and has been evaluated in animal models of multiple sclerosis and other autoimmune diseases. ACT-1004-1239's ability to modulate immune responses and promote myelin repair makes it a promising candidate for the treatment of inflammatory demyelinating diseases.
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| Enzyme Assay |
ACT-1004-1239's antagonism of CXCR7 is assessed using cell-based functional assays. Cells expressing CXCR7 are treated with varying concentrations of ACT-1004-1239, then stimulated with CXCL12; CXCR7-mediated signaling (e.g., cAMP accumulation, β-arrestin recruitment) is measured; IC50 values are calculated from dose-response curves. Selectivity for CXCR7 over other chemokine receptors is assessed by screening against a panel of chemokine receptors. These assays provide quantitative information on the potency and selectivity of ACT-1004-1239.
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| Cell Assay |
ACT-1004-1239 is tested on cultured immune cells and other relevant cell types. Cells are treated with varying concentrations of ACT-1004-1239, then stimulated with CXCL12; chemotaxis is assessed using transwell migration assays; cytokine production is measured by ELISA; immune cell activation and proliferation are assessed by flow cytometry. These cell-based assays demonstrate the mechanism of action and immunomodulatory activity of ACT-1004-1239.
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| Animal Protocol |
ACT-1004-1239 has been evaluated in animal models of inflammatory demyelinating diseases. In these models, ACT-1004-1239 is administered orally at various doses; disease severity is assessed by clinical scoring; inflammation and demyelination are assessed by histological analysis; immune cell infiltration is assessed by immunohistochemistry. These in vivo studies provide evidence for the efficacy of ACT-1004-1239.
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| ADME/Pharmacokinetics |
Pharmacokinetic studies indicate that ACT-1004-1239 is orally active. The compound's absorption, distribution, metabolism, and excretion have been characterized in preclinical studies. ACT-1004-1239 achieves therapeutic concentrations in plasma and tissues following oral administration. The compound's pharmacokinetic properties support once- or twice-daily oral dosing.
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| Toxicity/Toxicokinetics |
The toxicity profile of ACT-1004-1239 is not extensively characterized in the available literature. As a CXCR7 antagonist, ACT-1004-1239 is expected to have a favorable safety profile, but comprehensive toxicological studies are needed to evaluate its safety.
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| References |
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| Additional Infomation |
ACT-1004-1239 is a potent, selective, and orally active CXCR7 antagonist with an IC50 of 3.2 nM. The compound has immune-modulatory and myelin-promoting effects and is being studied for the treatment of inflammatory demyelinating diseases such as multiple sclerosis. ACT-1004-1239 modulates chemokine signaling pathways by blocking CXCR7, which is involved in immune cell migration and inflammation. The compound represents a promising new therapy for autoimmune diseases and other inflammatory conditions. ACT-1004-1239 is not approved as a therapeutic agent and is used for research purposes only.
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| Molecular Formula |
C27H28F2N6O3
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|---|---|
| Molecular Weight |
522.55
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| Exact Mass |
522.219
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| CAS # |
2178049-58-4
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| PubChem CID |
139360137
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| Appearance |
White to off-white solid powder
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| LogP |
2.8
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
9
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| Rotatable Bond Count |
8
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| Heavy Atom Count |
38
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| Complexity |
868
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| Defined Atom Stereocenter Count |
2
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| SMILES |
N1(CC2CC2)CC[C@H](NC(C2C=C(C3=CC=C(F)C=C3F)ON=2)=O)[C@@H](C(NC2(C3=NC=CC=N3)CC2)=O)C1
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| InChi Key |
IIDSHAJKXPUYSL-FPOVZHCZSA-N
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| InChi Code |
InChI=1S/C27H28F2N6O3/c28-17-4-5-18(20(29)12-17)23-13-22(34-38-23)25(37)32-21-6-11-35(14-16-2-3-16)15-19(21)24(36)33-27(7-8-27)26-30-9-1-10-31-26/h1,4-5,9-10,12-13,16,19,21H,2-3,6-8,11,14-15H2,(H,32,37)(H,33,36)/t19-,21-/m0/s1
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| Chemical Name |
N-[(3S,4S)-1-(cyclopropylmethyl)-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
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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 (e.g. under nitrogen), avoid exposure to moisture and light. |
| 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 : ~20 mg/mL (~38.27 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: 1.67 mg/mL (3.20 mM) in 50% PEG300 +50% Saline (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication.
Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.9137 mL | 9.5685 mL | 19.1369 mL | |
| 5 mM | 0.3827 mL | 1.9137 mL | 3.8274 mL | |
| 10 mM | 0.1914 mL | 0.9568 mL | 1.9137 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.
Link: https://clinicaltrials.gov/ct2/show/NCT05549531
Conditions:HealthyLink: https://clinicaltrials.gov/ct2/show/NCT04286750
Conditions:HealthyLink: https://clinicaltrials.gov/ct2/show/NCT03869320
Conditions:HealthyProducts are for research use only; We do not sell to patients
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