| Size | Price | Stock | Qty |
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| 5mg |
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| Other Sizes |
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| ln Vitro |
BI-4142 has IC50 values of 10 nM, 18 nM, 270 nM, and 2400 nM, respectively, indicating that it inhibits HEK HER2YVMA, Ba/F3 HER2YVMA, HEK EGFRWT, and Ba/F3 EGFRWT [1]. The anti-proliferative activity of BI-4142 (1 nM-5 μM, 72 hours or 96 hours) against tumor cells has been reported [1]. In the CaCo-2 experiment, BI-4142 shows high permeability and no propensity for PgP-mediated efflux [1]. BI-4142 suppresses downstream signaling and HER2-dependent cell lines [1].
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| ln Vivo |
BI-4142 (0-100 mg/kg; oral; twice daily for 40 days) suppresses oncogenic signaling and tumor development [1]. Tumor growth inhibition was 113%, 126%, 153%, and 166% at 3, 10, 30, and 100 mg/kg, respectively. Animal Models: NMRI-Foxn1nu mice, PC-9 HER2YVMA xenograft model [1]. Dosage: 3, 10, 30, and 100 mg/kg. Administration: Oral twice daily for 40 days. Results: At dose -caused tumor regression in a dependent manner.
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| Cell Assay |
Cell Proliferation Assay[1]
Cell Types: NCI-H2170 HER2WT, NCI-H2170 HER2YVMA, A431 EGFRWT, Ba/F3 HER2YVMA, Ba/F3 HER2YVMA, S783C, Ba/F3 EGFRWT and Ba/F3 EGFRC775S Cell Tested Concentrations: 1 nM-5 μM Incubation Duration: 72 hrs (hours) or 96 hrs (hours) Experimental Results: Anti-proliferative effect on NCI-H2170 HER2WT, NCI-H2170 HER2YVMA, NCI-H2170 HER2YVMA with IC50 values of 16 nM, 82 nM, >5 µM, 4 nM, 24 nM , 718 nM and 43 nM are A431 EGFRWT, Ba/F3 HER2YVMA, Ba/F3 HER2YVMA, S783C, Ba/F3 EGFRWT and Ba/F3 EGFRC775S respectively. |
| Animal Protocol |
Animal/Disease Models: BomTac: NMRI Foxn1nu (nude) mice [1]
Doses: 1 mg/kg or 10 mg/kg and 100 mg/kg Route of Administration: IV 1 mg/kg, PO 10 mg/kg and 100 mg/kg (pharmacokinetic/PK/PKs Scientific analysis) Experimental Results: BI-4142[1] In vivo mouse PK data Compound dose iv/po (mg/kg) tmax (h) Cmax (nM) AUD (h·nM) Plasma CL (mL/min/kg) % F iv, 1mg/kg n/an/a 3,280 9.69 n/a BI-4142 po (po (oral gavage)) 10 mg/kg 0.83 8,600 23,200 n/a 71 po (po (oral gavage)) 100 mg/kg 0.67 36,400 196,000 n/a 60 |
| References |
| Molecular Formula |
C28H27N9O2
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|---|---|
| Molecular Weight |
521.573084115982
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| Exact Mass |
521.228
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| CAS # |
2682003-36-5
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| PubChem CID |
156821183
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| Appearance |
Light yellow to yellow solid powder
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| LogP |
3.5
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
9
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| Rotatable Bond Count |
6
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| Heavy Atom Count |
39
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| Complexity |
855
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C(N1CCN(C2=NC=C3N=CN=C(NC4=CC=C(OC5=CC=C6N(C)C=NC6=C5)C(C)=C4)C3=N2)CC1)(=O)C=C
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| InChi Key |
JKBYBPNRTMHEGS-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C28H27N9O2/c1-4-25(38)36-9-11-37(12-10-36)28-29-15-22-26(34-28)27(31-16-30-22)33-19-5-8-24(18(2)13-19)39-20-6-7-23-21(14-20)32-17-35(23)3/h4-8,13-17H,1,9-12H2,2-3H3,(H,30,31,33)
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| Chemical Name |
1-[4-[4-[3-methyl-4-(1-methylbenzimidazol-5-yl)oxyanilino]pyrimido[5,4-d]pyrimidin-6-yl]piperazin-1-yl]prop-2-en-1-one
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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 : ~100 mg/mL (~191.73 mM)
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| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.9173 mL | 9.5864 mL | 19.1729 mL | |
| 5 mM | 0.3835 mL | 1.9173 mL | 3.8346 mL | |
| 10 mM | 0.1917 mL | 0.9586 mL | 1.9173 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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