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| Targets |
BI-167107 targets the β2-adrenergic receptor (β2AR), a G protein-coupled receptor that mediates the effects of catecholamines such as epinephrine and norepinephrine. It is a high-affinity, full agonist that binds to the β2AR with a dissociation constant Kd of 84 pM. The compound's high affinity and full agonist activity make it a valuable tool for studying β2AR structure and function, including receptor activation, conformational changes, and signaling pathways. BI-167107 is widely used in structural biology studies, including X-ray crystallography, to elucidate the molecular details of β2AR activation.
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| ln Vitro |
In comparison to other βAR ligands, BI-167107 exhibits a sluggish off-rate and nanomolar affinity [1].
In vitro, BI-167107 is a high-affinity, full agonist of the β2-adrenergic receptor with a Kd of 84 pM. It is widely used as a research tool in receptor pharmacology and structural biology. The compound's activity is typically measured using receptor binding assays and functional assays such as cAMP accumulation or β-arrestin recruitment in cells expressing the β2AR. Its high affinity and full agonist activity make it an ideal tool for studying β2AR structure and function. |
| ln Vivo |
In vivo activity data for BI-167107 is limited, as the compound is primarily used as a research tool in in vitro and structural biology studies. However, its high affinity and full agonist activity at the β2AR suggest that it would have potent β2AR-mediated effects in vivo, such as bronchodilation and vasodilation. The compound is a long-acting β2AR agonist. Its use is primarily focused on understanding receptor structure and function rather than therapeutic applications.
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| Enzyme Assay |
In vitro receptor binding assays for BI-167107 measure its affinity for the β2-adrenergic receptor. Membranes from cells expressing the β2AR are incubated with a radiolabeled β2AR ligand and varying concentrations of BI-167107. The Kd is determined from saturation binding curves. For BI-167107, the Kd is 84 pM. Functional assays measure the activation of β2AR-mediated signaling, such as the stimulation of cAMP accumulation or the recruitment of β-arrestin. These assays confirm the compound's high-affinity full agonist activity at the β2AR.
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| Cell Assay |
In vitro cell-based assays for BI-167107 are conducted using cells expressing the β2-adrenergic receptor. In a typical assay, cells are treated with BI-167107 at various concentrations, and the accumulation of cAMP is measured using a competitive immunoassay. The EC50 is determined from the dose-response curve. The recruitment of β-arrestin can also be measured using BRET or enzyme fragment complementation assays. These assays confirm the compound's potent agonist activity at the β2AR.
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| Animal Protocol |
In vivo animal experiments for BI-167107 are not extensively described in the available literature. As a research tool used primarily for structural biology and receptor pharmacology, its use in vivo is limited. However, it could be used in animal models to study β2AR-mediated physiological effects, such as bronchodilation or cardiovascular effects. Specific protocols for BI-167107 are not detailed in standard product descriptions.
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| ADME/Pharmacokinetics |
BI-167107 has a molecular weight of 370.44 g/mol and a molecular formula of C21H26N2O4. It is a solid compound. It is soluble in DMSO and other organic solvents. For storage, it is recommended to keep the powder at -20°C. Detailed pharmacokinetic properties such as absorption, distribution, metabolism, and excretion (ADME) have not been extensively characterized. As a research compound, its stability is maintained by proper storage as a dry powder.
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| Toxicity/Toxicokinetics |
Detailed toxicity data for BI-167107 is not provided in standard product descriptions. As a research compound, its toxicity profile has not been extensively characterized. BI-167107 is a high-affinity β2AR agonist, and its toxicity would be related to its effects on β2AR-mediated signaling in normal tissues. However, comprehensive toxicological studies have not been reported. As with all research chemicals, standard laboratory safety precautions should be followed when handling BI-167107. Its use is limited to research applications and it is not intended for human or veterinary use.
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| References | |
| Additional Infomation |
Structure in the first source
BI-167107 is a research compound and is not approved for any clinical or therapeutic use. It is a highly potent, long-acting β2-adrenergic receptor (β2AR) agonist widely used as a research tool in receptor pharmacology and structural biology. BI-167107 is a high-affinity, full agonist that binds to the β2AR with a Kd of 84 pM. The compound is used to study the structure and function of the β2AR, particularly in the context of G protein-coupled receptor (GPCR) signaling and crystallography. Its mechanism of action involves activating the β2AR and downstream signaling pathways. |
| Molecular Formula |
C21H26N2O4
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| Molecular Weight |
370.4421
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| Exact Mass |
370.189
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| CAS # |
1202235-68-4
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| PubChem CID |
45483813
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| Appearance |
White to off-white solid powder
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| LogP |
2.2
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| Hydrogen Bond Donor Count |
4
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
6
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| Heavy Atom Count |
27
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| Complexity |
512
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CC1=CC=CC=C1CC(C)(C)NCC(C2=C3C(=C(C=C2)O)NC(=O)CO3)O
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| InChi Key |
NWQXBEWHTDRJIP-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C21H26N2O4/c1-13-6-4-5-7-14(13)10-21(2,3)22-11-17(25)15-8-9-16(24)19-20(15)27-12-18(26)23-19/h4-9,17,22,24-25H,10-12H2,1-3H3,(H,23,26)
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| Chemical Name |
5-hydroxy-8-[1-hydroxy-2-[[2-methyl-1-(2-methylphenyl)propan-2-yl]amino]ethyl]-4H-1,4-benzoxazin-3-one
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| Synonyms |
BI-167107 BI167107 BI 167107
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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) |
DMSO : ~75 mg/mL (~202.46 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 3.75 mg/mL (10.12 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 37.5 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: ≥ 3.75 mg/mL (10.12 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 37.5 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: ≥ 3.75 mg/mL (10.12 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 | 2.6995 mL | 13.4975 mL | 26.9949 mL | |
| 5 mM | 0.5399 mL | 2.6995 mL | 5.3990 mL | |
| 10 mM | 0.2699 mL | 1.3497 mL | 2.6995 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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