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Nurr1 agonist 7

CAT: 1410-M37301-01Size: 1 EachDry Ice: NoHazardous: No
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Description
Nurr1 agonist 7 (compound 110) is an agonist targeting the Nurr1 receptor, exhibiting an EC50 of 0.12 μM .
CAS Number
228707-95-7
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
284.35
Molecular Formula
C18H20O3
Notes
Research use only, not for human use.
Receptor
Others

Chemical Information

Nurr1 agonist 7
CAS Number228707-95-7
PubChem CID18544100
IUPAC Name3-[(4-tert-butylphenyl)methoxy]benzoic acid
Molecular FormulaC18H20O3
Molecular Weight284.3
XLogP4.6
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count21
Formal Charge0
Complexity337
SMILES
CC(C)(C)C1=CC=C(C=C1)COC2=CC=CC(=C2)C(=O)O
InChI
InChI=1S/C18H20O3/c1-18(2,3)15-9-7-13(8-10-15)12-21-16-6-4-5-14(11-16)17(19)20/h4-11H,12H2,1-3H3,(H,19,20)
InChIKey
MJXOQKCMOQCDCH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Nurr1 agonist 7
CAS: 228707-95-7
CID: 18544100
Formula: C18H20O3
MW: 284.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight284.3
XLogP34.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass284.14124450
Monoisotopic Mass284.14124450
Topological Polar Surface Area46.5 Ų
Heavy Atom Count21
Formal Charge0
Complexity337
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

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