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Nrf2 activator 17

CAT: 0804-HY-169315Size: 1 EachDry Ice: NoHazardous: No
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Description
Nrf2 activator 17 (compound 10) is an Nrf2 activator that inhibits the interaction between Keap1 and Nrf2 with an IC50 of EC50 of [1].
CAS Number
3059044-55-9
UNSPSC
12352005
Target
Keap1-Nrf2
Type
Reference compound
Related Pathways
NF-κB
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/nrf2-activator-17.html
Smiles
CC1=C2C=CC3=C1N=NN3CCCCOC4CCN(C(N5CCC6=CC=C(C2CC(O)=O)C=C6C5)=O)CC4
Molecular Formula
C29H35N5O4
Molecular Weight
517.62
References & Citations
[1]Yeyu Cao, et al. Novel compounds and uses thereof. WO2024211244A2. 2024-10-10.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

2-(32-Methyl-20-oxo-15-oxa-8,9,10,19,21-pentazahexacyclo[19.5.3.216,19.13,7.06,10.024,28]dotriaconta-1(27),3(32),4,6,8,24(28),25-heptaen-2-yl)acetic acid
CAS Number3059044-55-9
PubChem CID172356422
IUPAC Name2-(32-methyl-20-oxo-15-oxa-8,9,10,19,21-pentazahexacyclo[19.5.3.216,19.13,7.06,10.024,28]dotriaconta-1(27),3(32),4,6,8,24(28),25-heptaen-2-yl)acetic acid
Molecular FormulaC29H35N5O4
Molecular Weight517.6
XLogP2.9
Topological Polar Surface Area101
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count38
Formal Charge0
Complexity851
SMILES
CC1=C2C=CC3=C1N=NN3CCCCOC4CCN(CC4)C(=O)N5CCC6=C(C5)C=C(C2CC(=O)O)C=C6
InChI
InChI=1S/C29H35N5O4/c1-19-24-6-7-26-28(19)30-31-34(26)11-2-3-15-38-23-9-13-32(14-10-23)29(37)33-12-8-20-4-5-21(16-22(20)18-33)25(24)17-27(35)36/h4-7,16,23,25H,2-3,8-15,17-18H2,1H3,(H,35,36)
InChIKey
AAYWEQQUTSRNSG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(32-Methyl-20-oxo-15-oxa-8,9,10,19,21-pentazahexacyclo[19.5.3.216,19.13,7.06,10.024,28]dotriaconta-1(27),3(32),4,6,8,24(28),25-heptaen-2-yl)acetic acid
CAS: 3059044-55-9
CID: 172356422
Formula: C29H35N5O4
MW: 517.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight517.6
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass517.26890461
Monoisotopic Mass517.26890461
Topological Polar Surface Area101 Ų
Heavy Atom Count38
Formal Charge0
Complexity851
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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