| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg |
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| 50mg |
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| 100mg |
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| Other Sizes |
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| Targets |
IC50: 70 nM (SHP2)[1]
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|---|---|
| ln Vitro |
SHP099's X-ray co-crystal with SHP2 demonstrates a novel interaction between the basic amine and the carbonyl of the Phe113 backbone. SHP099 exhibits a 1.4 μM IC50 in the KYSE-520 model, which inhibits cell proliferation. In Caco-2 cells, SHP099 exhibits great permeability and solubility with no discernible efflux[1]. Through an allosteric mechanism, SHP099 inhibits SHP2 activity by concurrently binding to the interface of the N-terminal SH2, C-terminal SH2, and protein tyrosine phosphatase domains. SHP099 prevents receptor-tyrosine-kinase-driven human cancer cells from proliferating by suppressing RAS-ERK signaling[2].
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| ln Vivo |
The xenografts exhibit dose-dependent exposure and modification of the pharmacodynamic marker p-ERK following single doses of 30 and 100 mg/kg. An oral dosage of 10 mg/kg or 30 mg/kg per day inhibits tumor growth by 19% and 61%, respectively. 100 mg/kg is the threshold for tumor stasis [1].
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| References |
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| Molecular Formula |
C16H20CL3N5
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|---|---|
| Molecular Weight |
388.7225
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| Exact Mass |
387.078
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| CAS # |
2200214-93-1
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| Related CAS # |
SHP099;1801747-42-1;SHP099 hydrochloride;1801747-11-4
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| PubChem CID |
121241170
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| Appearance |
Yellow to orange solid powder
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
24
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| Complexity |
402
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| Defined Atom Stereocenter Count |
0
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| SMILES |
ClC1C(=C([H])C([H])=C([H])C=1C1C(N([H])[H])=NC(=C([H])N=1)N1C([H])([H])C([H])([H])C(C([H])([H])[H])(C([H])([H])C1([H])[H])N([H])[H])Cl.Cl[H]
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| InChi Key |
KHQHYRFUYAXWOQ-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C16H19Cl2N5.ClH/c1-16(20)5-7-23(8-6-16)12-9-21-14(15(19)22-12)10-3-2-4-11(17)13(10)18;/h2-4,9H,5-8,20H2,1H3,(H2,19,22);1H
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| Chemical Name |
6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)pyrazin-2-amine;hydrochloride
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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: 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)
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| Solubility (In Vitro) |
DMSO: 4.1 mg/mL (10.55 mM)
H2O: ≥ 2.5 mg/mL (6.43 mM) |
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (6.43 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 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: 20 mg/mL (51.45 mM) in 50% PEG300 50% Saline (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.5725 mL | 12.8627 mL | 25.7255 mL | |
| 5 mM | 0.5145 mL | 2.5725 mL | 5.1451 mL | |
| 10 mM | 0.2573 mL | 1.2863 mL | 2.5725 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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