| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg |
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| 100mg | |||
| Other Sizes |
| Targets |
SHP389 targets SHP2, an allosteric inhibitor with an IC50 of 36 nM for both SHP2 and p-ERK. It shows impressive hERG selectivity (IC50 > 30 µM).
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|---|---|
| ln Vitro |
In vitro, SHP389 potently inhibits SHP2 with an IC50 of 36 nM. It also inhibits p-ERK with an IC50 of 36 nM. Its activity has been characterized in biochemical and cellular assays.
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| ln Vivo |
In vivo, SHP389 controls MAPK signaling [1].
In vivo, SHP389 modulates MAPK signaling. It has been used to study the role of SHP2 in oncogenesis and other signaling pathways. It improved SHP2 biochemical and cellular potency with increasing lipophilicity. |
| Enzyme Assay |
In vitro enzyme assays for SHP389 involve measuring the inhibition of purified SHP2 phosphatase activity. The enzyme is incubated with a fluorogenic or chromogenic substrate (e.g., DiFMUP) in the presence of varying concentrations of the compound. The release of the fluorescent product is measured to determine the IC50.
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| Cell Assay |
In vitro cellular assays for SHP389 are performed in cell lines to assess its effect on downstream signaling. Cells are treated with the compound, and the phosphorylation status of ERK (p-ERK) is measured by Western blot or ELISA as a readout of SHP2 inhibition. The compound's effect on cell proliferation is also assessed in cancer cell lines.
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| Animal Protocol |
In vivo animal studies for SHP389 are conducted in mouse models of cancer or other diseases where SHP2 plays a role. Tumor-bearing mice are treated with the compound orally or intraperitoneally, and tumor growth is measured. The compound's effect on MAPK signaling in tumor tissue is assessed by measuring p-ERK levels.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for SHP389 are not detailed in publicly available sources. As a tool compound for in vivo studies, its PK properties would be characterized in preclinical species. It is designed to have adequate oral bioavailability and tissue distribution.
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| Toxicity/Toxicokinetics |
Toxicological data for SHP389 are not widely published. As a research compound, its safety profile is evaluated in the context of specific experiments. Its hERG selectivity suggests a low risk of cardiac toxicity. No significant toxicity has been reported.
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| Additional Infomation |
SHP389 is a research compound and allosteric SHP2 inhibitor. It is used as a tool to study the role of SHP2 in the MAPK pathway and its involvement in oncogenesis. It is not an approved drug. It is also known as SHP-389.
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| Molecular Formula |
C23H29CLN8O2
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|---|---|
| Molecular Weight |
484.981762647629
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| Exact Mass |
484.21
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| CAS # |
2235394-90-6
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| Related CAS # |
2235394-90-6;2055938-05-9;
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| PubChem CID |
124147932
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| Appearance |
White to off-white solid powder
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| LogP |
1.4
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
7
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
34
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| Complexity |
832
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| Defined Atom Stereocenter Count |
2
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| SMILES |
C1(N2CCC3(CO[C@@H](C)[C@H]3N)CC2)N(C)C(=O)C2=C(C3C=CN=C(NC4CC4)C=3Cl)NN=C2N=1
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| InChi Key |
URUPFUYPXLMTMT-KPZWWZAWSA-N
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| InChi Code |
InChI=1S/C23H29ClN8O2/c1-12-18(25)23(11-34-12)6-9-32(10-7-23)22-28-19-15(21(33)31(22)2)17(29-30-19)14-5-8-26-20(16(14)24)27-13-3-4-13/h5,8,12-13,18H,3-4,6-7,9-11,25H2,1-2H3,(H,26,27)(H,29,30)/t12-,18+/m0/s1
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| Chemical Name |
6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-[3-chloro-2-(cyclopropylamino)pyridin-4-yl]-5-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-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 |
| 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 (~206.19 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 5 mg/mL (10.31 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 50.0 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: ≥ 5 mg/mL (10.31 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 50.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.0619 mL | 10.3097 mL | 20.6194 mL | |
| 5 mM | 0.4124 mL | 2.0619 mL | 4.1239 mL | |
| 10 mM | 0.2062 mL | 1.0310 mL | 2.0619 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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