BX 513 hydrochlorideSelective CCR1 antagonist CAS# 1216540-18-9 |
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Quality Control & MSDS
Chemical structure
3D structure
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| Cas No. | 1216540-18-9 | SDF | Download SDF |
| PubChem ID | 56972186 | Appearance | Powder |
| Formula | C28H30Cl2N2O | M.Wt | 481.46 |
| Type of Compound | N/A | Storage | Desiccate at -20°C |
| Solubility | Soluble in DMSO > 10 mM | ||
| Chemical Name | 5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentanenitrile;hydrochloride | ||
| SMILES | C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CCCC(C#N)(C3=CC=CC=C3)C4=CC=CC=C4.Cl | ||
| Standard InChIKey | SSZWNUGWOGONQJ-UHFFFAOYSA-N | ||
| Standard InChI | InChI=1S/C28H29ClN2O.ClH/c29-26-14-12-25(13-15-26)28(32)17-20-31(21-18-28)19-7-16-27(22-30,23-8-3-1-4-9-23)24-10-5-2-6-11-24;/h1-6,8-15,32H,7,16-21H2;1H | ||
| General tips | For obtaining a higher solubility , please warm the tube at 37 ℃ and shake it in the ultrasonic bath for a while.Stock solution can be stored below -20℃ for several months. We recommend that you prepare and use the solution on the same day. However, if the test schedule requires, the stock solutions can be prepared in advance, and the stock solution must be sealed and stored below -20℃. In general, the stock solution can be kept for several months. Before use, we recommend that you leave the vial at room temperature for at least an hour before opening it. |
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| About Packaging | 1. The packaging of the product may be reversed during transportation, cause the high purity compounds to adhere to the neck or cap of the vial.Take the vail out of its packaging and shake gently until the compounds fall to the bottom of the vial. 2. For liquid products, please centrifuge at 500xg to gather the liquid to the bottom of the vial. 3. Try to avoid loss or contamination during the experiment. |
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| Shipping Condition | Packaging according to customer requirements(5mg, 10mg, 20mg and more). Ship via FedEx, DHL, UPS, EMS or other couriers with RT, or blue ice upon request. | ||
| Description | Selective CCR1 receptor antagonist (Ki values are 0.04, > 10, > 10 and > 10 nM for CCR1, CCR5, CXCR2 and CXCR4 receptors respectively). Inhibits MIP-1α-induced intracellular calcium mobilization (IC50 = 2.5 μM). Also a full inverse agonist at US28, a HCMV-encoded chemokine receptor. |
BX 513 hydrochloride Dilution Calculator
BX 513 hydrochloride Molarity Calculator
| 1 mg | 5 mg | 10 mg | 20 mg | 25 mg | |
| 1 mM | 2.077 mL | 10.3851 mL | 20.7702 mL | 41.5403 mL | 51.9254 mL |
| 5 mM | 0.4154 mL | 2.077 mL | 4.154 mL | 8.3081 mL | 10.3851 mL |
| 10 mM | 0.2077 mL | 1.0385 mL | 2.077 mL | 4.154 mL | 5.1925 mL |
| 50 mM | 0.0415 mL | 0.2077 mL | 0.4154 mL | 0.8308 mL | 1.0385 mL |
| 100 mM | 0.0208 mL | 0.1039 mL | 0.2077 mL | 0.4154 mL | 0.5193 mL |
| * Note: If you are in the process of experiment, it's necessary to make the dilution ratios of the samples. The dilution data above is only for reference. Normally, it's can get a better solubility within lower of Concentrations. | |||||
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Ligands for the CCR1 receptor (MIP-1α and RANTES) have been implicated in plenty of chronic inflammatory diseases, most notably multiple sclerosis and rheumatoid arthritis. BX 513 is a novel non-peptide CCR1 receptor antagonists.
In vitro: BX 513 has been shown to have at least 200-fold selectivity for CCR1 inhibition over other human 7-TM receptors, including other chemokine receptors. In addition, data obtained from in-vitro functional assays demonstrated the functional antagonism of BX 513 and structurally related analogues against the CCR1 receptor in a dose-dependent manner [1]. BX 513 also showed concentration-dependent inhibition of MIP-1α-induced extracellular acidification and Ca2+ mobilization demonstrating functional antagonism. When given alone, the compound did not elicit any responses, suggesting the absence of intrinsic agonist activity. BX 513 inhibited MIP-1α- and RANTES-induced migration in peripheral blood cells in a dose-responsive manner. Selectivity testing against a panel of 7 transmembrane domain receptors indicated that BX 513 is inactive on a number of receptors at concentrations up to 10 μM [2].
In vivo: Currently, there is no animal in-vivo data available.
Clinical trial: Up to now, BX 513 is still in the preclinical development stage.
Reference:
[1] Ng HP, May K, Bauman JG, Ghannam A, Islam I, Liang M, Horuk R, Hesselgesser J, Snider RM, Perez HD, Morrissey MM. Discovery of novel non-peptide CCR1 receptor antagonists. J Med Chem. 1999 Nov 4;42(22):4680-94.
[2] Hesselgesser J, Ng HP, Liang M, Zheng W, May K, Bauman JG, Monahan S, Islam I, Wei GP, Ghannam A, Taub DD, Rosser M, Snider RM, Morrissey MM,Perez HD, Horuk R. Identification and characterization of small molecule functional antagonists of the CCR1 chemokine receptor. J Biol Chem. 1998 Jun 19;273(25):15687-92.
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