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Purity: ≥98%
Description: BI-671800 is a novel, potent and highly specific antagonist of chemoattractant receptor-homologous molecule on Th2 cells (DP2/CRTH2), with IC50 values of 4.5 nM and 3.7 nM for PGD2 binding to CRTH2 in hCRTH2 and mCRTH2 transfected cells, respectively. BI-671800 can be potentially used for the treatment of poorly controlled asthma.
| ln Vitro |
In transfected cells, BI-671800 (Compound A) has modest nM efficacy as a human or mouse CRTH2 antagonist [1].
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| ln Vivo |
BI-671800 (compound A, 0.1-10 mg/kg, ig) has a strong inhibitory effect on mice AHR [1]. BI-671800 (Compound A) substantially inhibits edema formation and greatly lowers inflammatory infiltrates and skin pathology observed in drug vehicle-treated mice [3].
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| Animal Protocol |
Animal/Disease Models: 6-8 weeks old, age- and sex-matched balb/c (Bagg ALBino) mouse (mouse sensitized for 14 days, intranasally challenged) [1].
Doses: 10-0.1 mg/kg Route of Administration: po (oral gavage) for 4 weeks. Experimental Results: It has a significant inhibitory effect on AHR in mice. |
| References |
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| Additional Infomation |
Bi 671800 has been used in trials studying the treatment of Asthma and Rhinitis, Allergic, Perennial.
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| Molecular Formula |
C25H26F3N5O3
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|---|---|
| Molecular Weight |
501.500855922699
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| Exact Mass |
501.199
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| Elemental Analysis |
C, 59.87; H, 5.23; F, 11.36; N, 13.96; O, 9.57
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| CAS # |
1093108-50-9
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| PubChem CID |
45270144
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| Appearance |
White to off-white solid powder
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| LogP |
4.481
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
10
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| Rotatable Bond Count |
8
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| Heavy Atom Count |
36
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| Complexity |
717
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| Defined Atom Stereocenter Count |
0
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| SMILES |
FC(C1C=CC(=CC=1)C(NC1C=CC(=CC=1)CC1=NC(=C(CC(=O)O)C(=N1)N(C)C)N(C)C)=O)(F)F
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| InChi Key |
XEOSTBFUCNZKGS-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C25H26F3N5O3/c1-32(2)22-19(14-21(34)35)23(33(3)4)31-20(30-22)13-15-5-11-18(12-6-15)29-24(36)16-7-9-17(10-8-16)25(26,27)28/h5-12H,13-14H2,1-4H3,(H,29,36)(H,34,35)
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| Chemical Name |
5-Pyrimidineacetic acid, 4,6-bis(dimethylamino)-2-((4-((4-(trifluoromethyl)benzoyl)amino)phenyl)methyl)-
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| Synonyms |
BI-671800; BI 671800; BI671800.
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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 : ~135 mg/mL (~269.19 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.25 mg/mL (4.49 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 22.5 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. Solubility in Formulation 2: ≥ 2.25 mg/mL (4.49 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 22.5 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 | 1.9940 mL | 9.9701 mL | 19.9402 mL | |
| 5 mM | 0.3988 mL | 1.9940 mL | 3.9880 mL | |
| 10 mM | 0.1994 mL | 0.9970 mL | 1.9940 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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