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NR4A1 agonist 1

CAT: 0804-HY-175725Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-175725Size:1 Each
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Description
NR4A1 agonist 1 is a NR4A1 agonist with a Ki value of 2.96 μM. NR4A1 agonist 1 exhibits lipid-lowering activity in 3T3-L1 adipocytes, with an EC50 of 0.13 μM, significantly decreasing triglyceride (TG) accumulation and lipid droplet accumulation. NR4A1 agonist 1 can be used for the study of obesity[1].
CAS Number
1825366-87-7
UNSPSC
12352005
Target
Nuclear Hormone Receptor 4A/NR4A
Related Pathways
Vitamin D Related/Nuclear Receptor
Field of Research
Metabolic Disease
Smiles
CN(CCCNC1=NC(C2=C(C3=CC=CC=C3N2)C=O)=NC4=C1C=CC=C4)C
Molecular Formula
C22H23N5O
Molecular Weight
373.45
References & Citations
[1]Hu YT, et al. Identification of Indoquinazoline Derivatives as Novel NR4A1 Agonists by Suppressing Adipocyte Lipogenesis for Treatment of Obesity. J Med Chem. 2025 Aug 28;68 (16) :17364-17377.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

2-[4-[3-(dimethylamino)propylamino]quinazolin-2-yl]-1H-indole-3-carbaldehyde
CAS Number1825366-87-7
PubChem CID127034975
IUPAC Name2-[4-[3-(dimethylamino)propylamino]quinazolin-2-yl]-1H-indole-3-carbaldehyde
Molecular FormulaC22H23N5O
Molecular Weight373.5
XLogP3.5
Topological Polar Surface Area73.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count28
Formal Charge0
Complexity515
SMILES
CN(C)CCCNC1=NC(=NC2=CC=CC=C21)C3=C(C4=CC=CC=C4N3)C=O
InChI
InChI=1S/C22H23N5O/c1-27(2)13-7-12-23-21-16-9-4-6-11-19(16)25-22(26-21)20-17(14-28)15-8-3-5-10-18(15)24-20/h3-6,8-11,14,24H,7,12-13H2,1-2H3,(H,23,25,26)
InChIKey
MWZDVQGSUVHSHA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-[4-[3-(dimethylamino)propylamino]quinazolin-2-yl]-1H-indole-3-carbaldehyde
CAS: 1825366-87-7
CID: 127034975
Formula: C22H23N5O
MW: 373.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight373.5
XLogP33.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass373.19026037
Monoisotopic Mass373.19026037
Topological Polar Surface Area73.9 Ų
Heavy Atom Count28
Formal Charge0
Complexity515
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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