| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
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| 10mg |
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| 50mg |
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| 100mg |
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| Other Sizes |
| Targets |
ErbB1 22 nM (IC50) ErbB2 38 nM (IC50) ErbB4 21 nM (IC50)
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|---|---|
| ln Vitro |
Human cancer cell lines (N87; BT474; SKBR3; A431; HN5) overexpressing the ErbB2 receptor show strong growth inhibition in vitro when treated with JNJ-28871063, with IC50 values ranging from 60 to 168 nM. When it came to preventing the growth of primary fibroblast cells (HeLa, A375, HCT116, HT29, and MRC5) that did not overexpress ErbB, 28871063, had the least amount of effect (IC50>10 μM)[1]. ErbB2 phosphorylation in SKBR3 cells is decreased at the basal level by JNJ-28871063 hydrochloride (3 μM; 16 hours) [1]. The hydrochloride JNJ28871063 belongs to the aminopyrimidine oxime structural class[1].
|
| ln Vivo |
For 30 days, JNJ28871063 hydrochloride (100 mg/kg/day; oral; TGI=71%) significantly inhibits tumor growth[1]. In an A431 human tumor xenograft model, JNJ28871063 hydrochloride significantly inhibits tumor development at 100 mg/kg (TGI=66.8%][1].
|
| Cell Assay |
Western Blot Analysis[1]
Cell Types: BT474 cells Tested Concentrations: 3 μM Incubation Duration: 16 hrs (hours) Experimental Results: diminished the basal level of ErbB2 phosphorylation. |
| Animal Protocol |
Animal/Disease Models: Nude mice bearing N87 tumor xenografts[1]
Doses: 100 mg/kg Route of Administration: Oral; daily for 30 days Experimental Results: demonstrated significant inhibition of tumor growth (TGI= 71%). |
| References |
| Molecular Formula |
C24H28CL2N6O3
|
|---|---|
| Molecular Weight |
519.42
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| Exact Mass |
518.16
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| CAS # |
944342-90-9
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| PubChem CID |
17747413
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| Appearance |
Light yellow to yellow solid
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| LogP |
5.111
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| Hydrogen Bond Donor Count |
3
|
| Hydrogen Bond Acceptor Count |
9
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| Rotatable Bond Count |
10
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| Heavy Atom Count |
35
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| Complexity |
605
|
| Defined Atom Stereocenter Count |
0
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| SMILES |
N(C1C=CC(OCC2C=CC=CC=2)=C(Cl)C=1)C1=NC=NC(N)=C1/C=N/OCCN1CCOCC1.Cl
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| InChi Key |
ZXKZRKQMKNRZNN-GZPZNDDGSA-N
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| InChi Code |
InChI=1S/C24H27ClN6O3.ClH/c25-21-14-19(6-7-22(21)33-16-18-4-2-1-3-5-18)30-24-20(23(26)27-17-28-24)15-29-34-13-10-31-8-11-32-12-9-31;/h1-7,14-15,17H,8-13,16H2,(H3,26,27,28,30);1H/b29-15+;
|
| Chemical Name |
4-N-(3-chloro-4-phenylmethoxyphenyl)-5-[(E)-2-morpholin-4-ylethoxyiminomethyl]pyrimidine-4,6-diamine;hydrochloride
|
| 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, avoid exposure to moisture. |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
|
| Solubility (In Vitro) |
DMSO: ~100 mg/mL (~192.5 mM; with ultrasonication)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (4.81 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween-80 + 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 DMSO stock solution (25.0 mg/mL) to 400 μL of PEG300 and mix well; then add 50 μL of Tween-80 and mix well; finally add 450 μL of physiological saline and 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 (4.81 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 DMSO stock solution (25.0 mg/mL) to 900 μL of 20% SBE-β-CD saline and mix well. 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 3: ≥ 2.5 mg/mL (4.81 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 DMSO stock solution (25.0 mg/mL) to 900 μL of corn oil and mix well. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.9252 mL | 9.6261 mL | 19.2522 mL | |
| 5 mM | 0.3850 mL | 1.9252 mL | 3.8504 mL | |
| 10 mM | 0.1925 mL | 0.9626 mL | 1.9252 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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