| Size | Price | Stock | Qty |
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| 10mg |
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| 50mg |
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| 100mg |
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| 500mg | |||
| Other Sizes |
Purity: ≥98%
| Targets |
SPI-112 is a cell-impermeable inhibitor of Src homology region 2 domain-containing phosphatase 2 (SHP-2), a protein tyrosine phosphatase involved in multiple signaling pathways. It selectively inhibits SHP-2 over SHP-1 and PTP1B. The compound binds to SHP-2 by surface plasmon resonance (SPR) and displays competitive inhibitor kinetics. Its mechanism of action involves blocking the phosphatase activity of SHP-2, thereby modulating downstream signaling pathways.
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| ln Vitro |
SPI-112 is not cell permeable because it lacks measurable cellular action and has triphasic -NO2 or negatively charged -COOH groups [1]. With a kinetic KD of 1.30 μM, SPI-112 demonstrated 1:1 stoichiometric binding kinetics to SHP2 in surface plasmon concentration (SPR) binding experiments. The competitive inhibition model (Ki = 0.8 μM) best fits the enzyme kinetic data obtained with SPI-112, suggesting that SPI-112 reacts with the SHP2 catalytic site [1].
In vitro, SPI-112 is a cell-impermeable inhibitor of SHP-2 with an IC50 of 1 μM in cell-free assays. It selectively inhibits SHP-2 over SHP-1 (IC50 = 18.3 μM) and PTP1B (IC50 = 14.5 μM). SPI-112 bound to SHP-2 by surface plasmon resonance (SPR) and displayed competitive inhibitor kinetics. The SPI-112 methyl ester analog can inhibit cellular SHP-2 PTP activity. |
| ln Vivo |
In vivo studies of SPI-112 are limited, as the compound is cell-impermeable and primarily used in cell-free assays. The SPI-112 methyl ester analog, which is cell-permeable, can inhibit cellular SHP-2 PTP activity. However, detailed in vivo efficacy data for specific disease models are not widely available. SPI-112 is primarily used as a research tool for studying SHP-2 biology in cell-free systems.
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| Enzyme Assay |
In vitro enzyme assays for SPI-112 typically involve measuring the inhibition of SHP-2 phosphatase activity using a suitable substrate. The compound inhibits SHP-2 with an IC50 of 1 μM in cell-free assays. Surface plasmon resonance (SPR) can be used to measure the binding of SPI-112 to SHP-2, which displays competitive inhibitor kinetics. Its selectivity over SHP-1 and PTP1B is assessed using similar enzymatic assays.
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| Cell Assay |
In vitro cellular assays for SPI-112 are limited because the compound is cell-impermeable. However, the SPI-112 methyl ester analog, which is cell-permeable, can inhibit cellular SHP-2 PTP activity. Cellular assays typically involve treating cells with the methyl ester analog and measuring SHP-2 activity or downstream signaling pathway modulation. These cell-based studies demonstrate the compound's functional inhibition of SHP-2 in a cellular context.
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| Animal Protocol |
In vivo animal models for SPI-112 are limited because the compound is cell-impermeable. The SPI-112 methyl ester analog may be used in animal studies to evaluate the effects of SHP-2 inhibition on disease progression. However, detailed animal protocol information is not widely available. SPI-112 is primarily used as a research tool for studying SHP-2 biology in cell-free systems.
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| ADME/Pharmacokinetics |
SPI-112 has a molecular formula of C22H17FN4O5S and a molecular weight of 468.46. It is soluble in DMF (1 mg/mL), DMSO (2 mg/mL), and DMSO:PBS (pH 7.2) (1:4) (0.20 mg/mL). The compound is typically stored at room temperature for shipping. Its cell-impermeable nature makes it suitable for cell-free assays, while the methyl ester analog is used for cellular studies.
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| Toxicity/Toxicokinetics |
SPI-112 is a SHP-2 inhibitor with a well-characterized mechanism of action. As with any enzyme inhibitor, potential toxicity may include off-target effects on other phosphatases and disruption of normal cellular signaling. The compound's safety profile should be evaluated in preclinical toxicology studies. SPI-112 is for research use only and is not approved for human therapeutic use.
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| References | |
| Additional Infomation |
SPI-112 (CAS# 1051387-90-6) is a cell-impermeable inhibitor of Src homology region 2 domain-containing phosphatase 2 (SHP-2) with an IC50 of 1 μM in cell-free assays. It selectively inhibits SHP-2 over SHP-1 and PTP1B. SPI-112 bound to SHP-2 by surface plasmon resonance (SPR) and displayed competitive inhibitor kinetics. The SPI-112 methyl ester analog can inhibit cellular SHP-2 PTP activity. The compound is for research use only and not for human therapeutic use.
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| Molecular Formula |
C22H17FN4O5S
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| Molecular Weight |
468.457587003708
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| Exact Mass |
468.09
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| CAS # |
1051387-90-6
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| Related CAS # |
1051387-90-6;
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| PubChem CID |
135924028
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| Appearance |
Light yellow to brown solid powder
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| LogP |
3.9
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| Hydrogen Bond Donor Count |
4
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| Hydrogen Bond Acceptor Count |
9
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| Rotatable Bond Count |
7
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| Heavy Atom Count |
33
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| Complexity |
814
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| Defined Atom Stereocenter Count |
0
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| SMILES |
S(C1C=CC2=C(C(=C(N2)O)/N=N/C2C=CC=C(C(=O)O)C=2)C=1)(NCC1C=CC(=CC=1)F)(=O)=O
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| InChi Key |
ABVSYWGFUNXYAC-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C22H17FN4O5S/c23-15-6-4-13(5-7-15)12-24-33(31,32)17-8-9-19-18(11-17)20(21(28)25-19)27-26-16-3-1-2-14(10-16)22(29)30/h1-11,24,26H,12H2,(H,29,30)(H,25,27,28)
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| Chemical Name |
(Z)-3-(2-(5-(N-(4-Fluorobenzyl)sulfamoyl)-2-oxoindolin-3-ylidene)hydrazinyl)benzoic acid
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| Synonyms |
SPI-112 SPI112 SPI 112.
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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 : ~50 mg/mL (~106.73 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 | 2.1347 mL | 10.6733 mL | 21.3465 mL | |
| 5 mM | 0.4269 mL | 2.1347 mL | 4.2693 mL | |
| 10 mM | 0.2135 mL | 1.0673 mL | 2.1347 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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