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IP7e

CAT: 0804-HY-110274-02Size: 10 mM - 1 mLDry Ice: NoHazardous: No
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CAT#:0804-HY-110274-02Size:10 mM - 1 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
IP7e is a potent, brain-penetrant and orally active Nurr1 activator with an EC50 value of 3.9 nM[1].
CAS Number
500164-74-9
UNSPSC
12352005
Hazard Statement
H315, H319, H335
Target
Nuclear Hormone Receptor 4A/NR4A
Type
Reference compound
Related Pathways
Vitamin D Related/Nuclear Receptor
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/ip7e.html
Purity
99.65
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C1C2=C(C=C(C3=CC=C(COCCOC)C=C3)N1C)ON=C2C4=CC=CC=C4
Molecular Formula
C23H22N2O4
Molecular Weight
390.43
Precautions
H315, H319, H335
References & Citations
[1]Samuel Hintermann, et al. 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]Francesca Montarolo, et al. 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.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
Nurr1/NR4A2

Chemical Information

6-{4-[(2-methoxyethoxy)methyl]phenyl}-5-methyl-3-phenyl-4H,5H-[1,2]oxazolo[4,5-c]pyridin-4-one
CAS Number500164-74-9
PubChem CID9908426
IUPAC Name6-[4-(2-methoxyethoxymethyl)phenyl]-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one
Molecular FormulaC23H22N2O4
Molecular Weight390.4
XLogP2.8
Topological Polar Surface Area64.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count29
Formal Charge0
Complexity581
SMILES
CN1C(=CC2=C(C1=O)C(=NO2)C3=CC=CC=C3)C4=CC=C(C=C4)COCCOC
InChI
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
InChIKey
YCAACZFPADQMAR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-{4-[(2-methoxyethoxy)methyl]phenyl}-5-methyl-3-phenyl-4H,5H-[1,2]oxazolo[4,5-c]pyridin-4-one
CAS: 500164-74-9
CID: 9908426
Formula: C23H22N2O4
MW: 390.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight390.4
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass390.15795719
Monoisotopic Mass390.15795719
Topological Polar Surface Area64.8 Ų
Heavy Atom Count29
Formal Charge0
Complexity581
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T27620-01IP7e
5699/50IP7e 50 mg
5699/10IP7e 10 mg

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