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| 25mg |
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Purity: ≥98%
IPA-3 (IPA3; IPA 3) is a novel, potent, selective and non-ATP competitive PAK1 (p21-activated protein kinase 1) inhibitor with potential antitumor activity. It inhibits the growth of liver cancer cells by suppressing PAK1 and NF-κB activation and has IC50 of 2.5 μM, and shows no inhibition to group II PAKs (PAKs 4-6).
| ln Vitro |
Part of the mechanism by which IPA-3 suppresses Pak1 activation is covalent attachment to Pak1's regulatory domain. Pak1 is covalently bound by IPA-3 in a temperature- and time-dependent manner. Binding of the Pak1 activator Cdc42 is inhibited by IPA-3. Direct binding of IPA-3 occurs with the Pak1 autoregulatory domain. In cells, IPA-3 reversibly prevents PMA-induced membrane ruffling[1]. Human primary Schwann and schwannoma cells exhibit reduced cell spreading in response to IPA-3 (2 μM, 5 μM, or 20 μM). In a dose-dependent manner, IPA-3 therapy dramatically lowers adherent Schwann and schwannoma cell counts[2]. IPA-3 is an allosteric inhibitor of p21-activated kinase 1 (Pak1) that is non-ATP-competitive. The IPA-3 control chemical is PIR3.5. On Thr423, IPA-3 inhibits the autophosphorylation of Pak1 induced by Cdc42. Additionally, sphingosine-dependent Pak1 autophosphorylation is inhibited by IPA-3. IPA-3 does not specifically target Pak1's exposed cysteine residues. The disulfide bond in IPA-3 is essential for the inhibition of Pak1, and Pak1 inhibition by IPA-3 is eliminated in vitro when the reducing agent dithiothreitol (DTT) is reduced. IPA-3 prevents different activators from activating Pak1, but it has no effect on Pak1 that has already been activated. In mouse embryonic fibroblasts, IPA-3 suppresses the activation of Pak in response to PDGF[3].
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| ln Vivo |
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| Animal Protocol |
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| References |
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| Additional Infomation |
IPA-3 is an organic disulfide obtained by oxidative dimerisation of 1-sulfanylnaphthalen-2-ol. It has a role as an EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor. It is an organic disulfide and a member of naphthols.
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| Molecular Formula |
C20H14O2S2
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| Molecular Weight |
350.45
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| Exact Mass |
350.043
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| CAS # |
42521-82-4
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| Related CAS # |
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| PubChem CID |
521106
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| Appearance |
Light yellow to yellow solid powder
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| Density |
1.5±0.1 g/cm3
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| Boiling Point |
543.7±35.0 °C at 760 mmHg
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| Melting Point |
172℃
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| Flash Point |
263.4±24.7 °C
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| Vapour Pressure |
0.0±1.5 mmHg at 25°C
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| Index of Refraction |
1.836
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| LogP |
4.96
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
24
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| Complexity |
380
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
RFAXLXKIAKIUDT-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C20H14O2S2/c21-17-11-9-13-5-1-3-7-15(13)19(17)23-24-20-16-8-4-2-6-14(16)10-12-18(20)22/h1-12,21-22H
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| Chemical Name |
1,1-disulfanediylbis(naphthalen-2-ol)
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| Synonyms |
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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 |
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| 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) |
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| Solubility (In Vivo) |
Solubility in Formulation 1: 2.5 mg/mL (7.13 mM) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution; with sonication.
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: 2.5 mg/mL (7.13 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. 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 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. 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. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (7.13 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.8535 mL | 14.2674 mL | 28.5347 mL | |
| 5 mM | 0.5707 mL | 2.8535 mL | 5.7069 mL | |
| 10 mM | 0.2853 mL | 1.4267 mL | 2.8535 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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