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IP7e

Alias: IP-7e; IP 7e; IP7e
Cat No.:V22632 Purity: ≥98%
IP7e is a potent, BBB (blood-brain barrier) permeable/penetrable, orally bioactive Nurr1 activator with EC50 of 3.9 nM.
IP7e
IP7e Chemical Structure CAS No.: 500164-74-9
Product category: New1
This product is for research use only, not for human use. We do not sell to patients.
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Product Description
IP7e is a potent, BBB (blood-brain barrier) permeable/penetrable, orally bioactive Nurr1 activator with EC50 of 3.9 nM.
Biological Activity I Assay Protocols (From Reference)
ln Vivo
Prophylactic treatment with IP7e (isoxazolopyridone 7e; 10 mg/kg; oral gavage; twice daily) lowers the incidence and incidence of experimental autoimmune encephalomyelitis (EAE) in a mouse model of MS. severity. IP7e alleviates inflammation and neurodegeneration in the spinal cord of EAE mice through NF-kB pathway-dependent processes [2].
Animal Protocol
Animal/Disease Models: Experimental autoimmune encephalomyelitis (EAE) female C57BL/6J mice (6-8 weeks old) [2].
Doses: 10 mg/kg
Route of Administration: po (oral gavage); twice (two times) daily; prophylactic (before disease onset) 7 to 23 dpi, therapeutic (after disease onset) 21 to 36 dpi
Experimental Results: Prophylactic The drug delayed the onset of EAE, diminished the incidence and severity of EAE, and diminished neuroinflammation and histopathological changes. Spinal cord of treated EAE mice. In contrast, the course of EAE is not affected by treatment administration.
References

[1]. Identification of a series of highly potent activators of the Nurr1 signaling pathway. Bioorg Med Chem Lett. 2007 Jan 1;17(1):193-6.

[2]. Effects of isoxazolo-pyridinone 7e, a potent activator of the Nurr1 signaling pathway, on experimental autoimmune encephalomyelitis in mice. PLoS One. 2014 Sep 29;9(9):e108791.

These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C23H22N2O4
Molecular Weight
390.43
Exact Mass
390.157
CAS #
500164-74-9
PubChem CID
9908426
Appearance
White to off-white solid powder
Density
1.2±0.1 g/cm3
Boiling Point
611.8±55.0 °C at 760 mmHg
Flash Point
323.8±31.5 °C
Vapour Pressure
0.0±1.8 mmHg at 25°C
Index of Refraction
1.593
LogP
2.61
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
7
Heavy Atom Count
29
Complexity
581
Defined Atom Stereocenter Count
0
InChi Key
YCAACZFPADQMAR-UHFFFAOYSA-N
InChi Code
InChI=1S/C23H22N2O4/c1-25-19(17-10-8-16(9-11-17)15-28-13-12-27-2)14-20-21(23(25)26)22(24-29-20)18-6-4-3-5-7-18/h3-11,14H,12-13,15H2,1-2H3
Chemical Name
6-[4-(2-methoxyethoxymethyl)phenyl]-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one
Synonyms
IP-7e; IP 7e; IP7e
HS Tariff Code
2934.99.9001
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)
Solubility Data
Solubility (In Vitro)
DMSO : ~100 mg/mL (~256.13 mM)
Solubility (In Vivo)
Solubility in Formulation 1: ≥ 2.5 mg/mL (6.40 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in 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 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.

Solubility in Formulation 2: ≥ 2.5 mg/mL (6.40 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 25.0 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 2.5613 mL 12.8064 mL 25.6128 mL
5 mM 0.5123 mL 2.5613 mL 5.1226 mL
10 mM 0.2561 mL 1.2806 mL 2.5613 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.

Calculator

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An example of molarity calculation using the molarity calculator is shown below:
What is the mass of compound required to make a 10 mM stock solution in 5 ml of DMSO given that the molecular weight of the compound is 350.26 g/mol?
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  • The answer of 17.513 mg appears in the Mass box. In a similar way, you may calculate the volume and concentration.

Dilution Calculator allows you to calculate how to dilute a stock solution of known concentrations. For example, you may Enter C1, C2 & V2 to calculate V1, as detailed below:

What volume of a given 10 mM stock solution is required to make 25 ml of a 25 μM solution?
Using the equation C1V1 = C2V2, where C1=10 mM, C2=25 μM, V2=25 ml and V1 is the unknown:
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  • The answer of 62.5 μL (0.1 ml) appears in the Volume (Start) box
g/mol

Molecular Weight Calculator allows you to calculate the molar mass and elemental composition of a compound, as detailed below:

Note: Chemical formula is case sensitive: C12H18N3O4  c12h18n3o4
Instructions to calculate molar mass (molecular weight) of a chemical compound:
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Definitions of molecular mass, molecular weight, molar mass and molar weight:
  • Molecular mass (or molecular weight) is the mass of one molecule of a substance and is expressed in the unified atomic mass units (u). (1 u is equal to 1/12 the mass of one atom of carbon-12)
  • Molar mass (molar weight) is the mass of one mole of a substance and is expressed in g/mol.
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In vivo Formulation Calculator (Clear solution)
Step 1: Enter information below (Recommended: An additional animal to make allowance for loss during the experiment)
Step 2: Enter in vivo formulation (This is only a calculator, not the exact formulation for a specific product. Please contact us first if there is no in vivo formulation in the solubility section.)
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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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