| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 25mg |
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CCR2 antagonist 4 (Teijin compound 1) is a novel and potent CCR2 antagonist (IC50 = 180 nM for CCR2b) with anti-inflammatory and immunomodulatory effects.
| ln Vitro |
Teijin compound 1 binding in CCR2 is largely facilitated by Ile263 and Thr292 in CCR2. A highly conserved residue found in several CC chemokine receptors, Glu291 in TM7 plays a major role in the binding of protonated CCR2 antagonist 4 and CCL2. CCR2 antagonist 4 also interacts strongly with His121 on TM3 and Ile263 on TM6 [2]. Vp-TSL specifically targets the aortic plaque endothelium VCAM-1 and CCR2 antagonist 4 in ApoE-deficient animals, thereby inhibiting the adherence and infiltration of mouse monocyte/macrophage line (RAW 264.7) into the aorta [3].
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| References |
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| Molecular Formula |
C21H22CL2F3N3O2
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|---|---|
| Molecular Weight |
476.3195
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| Exact Mass |
439.127
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| CAS # |
226226-39-7
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| Related CAS # |
CCR2 antagonist 4 hydrochloride;1313730-14-1
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| PubChem CID |
44453327
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| Appearance |
White to off-white solid powder
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| LogP |
5.634
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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 |
6
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| Heavy Atom Count |
30
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| Complexity |
597
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| Defined Atom Stereocenter Count |
1
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| SMILES |
C1CN(C[C@@H]1NC(=O)CNC(=O)C2=CC(=CC=C2)C(F)(F)F)CC3=CC=C(C=C3)Cl
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| InChi Key |
BAOQJSULMWXFRK-GOSISDBHSA-N
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| InChi Code |
InChI=1S/C21H21ClF3N3O2/c22-17-6-4-14(5-7-17)12-28-9-8-18(13-28)27-19(29)11-26-20(30)15-2-1-3-16(10-15)21(23,24)25/h1-7,10,18H,8-9,11-13H2,(H,26,30)(H,27,29)/t18-/m1/s1
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| Chemical Name |
N-[2-[[(3R)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
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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 : ≥ 50 mg/mL (~113.67 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.68 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 25.0 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: ≥ 2.5 mg/mL (5.68 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 25.0 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: ≥ 2.5 mg/mL (5.68 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 | 2.0994 mL | 10.4971 mL | 20.9943 mL | |
| 5 mM | 0.4199 mL | 2.0994 mL | 4.1989 mL | |
| 10 mM | 0.2099 mL | 1.0497 mL | 2.0994 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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