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PRL-295

CAT: 0013-GTR19242426-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19242426-02Size:50 mg
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Description
PRL-295 is a potent small molecule inhibitor of the Keap1-Nrf2 interaction, exhibiting an IC50 of 73 nM. It is a valuable research tool for studying the NRF2 signaling pathway in oxidative stress and disease models, applicable in both cellular and biochemical assays.
CAS Number
2377770-85-7
Field of Research
Immunology & Inflammation
Smiles
O=C (O) CN (C1=NC=C (C=2C=CC=CC21) N (CC (F) (F) F) S (=O) (=O) C3=CC=C (OC) C=C3) S (=O) (=O) C4=CC=C (OC) C=C4
Molecular Formula
C27H24F3N3O8S2
Molecular Weight
639.62
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-[(4-methoxyphenyl)sulfonyl]-N-(4-{[(4-methoxyphenyl)sulfonyl](2,2,2-trifluoroethyl)amino}isoquinolin-1-yl)glycine
CAS Number2377770-85-7
PubChem CID139570943
IUPAC Name2-[(4-methoxyphenyl)sulfonyl-[4-[(4-methoxyphenyl)sulfonyl-(2,2,2-trifluoroethyl)amino]isoquinolin-1-yl]amino]acetic acid
Molecular FormulaC27H24F3N3O8S2
Molecular Weight639.6
XLogP4.5
Topological Polar Surface Area160
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count14
Rotatable Bond Count11
Heavy Atom Count43
Formal Charge0
Complexity1150
SMILES
COC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)O)C2=NC=C(C3=CC=CC=C32)N(CC(F)(F)F)S(=O)(=O)C4=CC=C(C=C4)OC
InChI
InChI=1S/C27H24F3N3O8S2/c1-40-18-7-11-20(12-8-18)42(36,37)32(16-25(34)35)26-23-6-4-3-5-22(23)24(15-31-26)33(17-27(28,29)30)43(38,39)21-13-9-19(41-2)10-14-21/h3-15H,16-17H2,1-2H3,(H,34,35)
InChIKey
UVJKKKIWFDQRIO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[(4-methoxyphenyl)sulfonyl]-N-(4-{[(4-methoxyphenyl)sulfonyl](2,2,2-trifluoroethyl)amino}isoquinolin-1-yl)glycine
CAS: 2377770-85-7
CID: 139570943
Formula: C27H24F3N3O8S2
MW: 639.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight639.6
XLogP34.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count14
Rotatable Bond Count11
Exact Mass639.09569157
Monoisotopic Mass639.09569157
Topological Polar Surface Area160 Ų
Heavy Atom Count43
Formal Charge0
Complexity1150
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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