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XP-524

CAT: 0013-GTR19184708-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19184708-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
XP-524 is a dual BET/EP300 inhibitor with potent antitumor activity. It suppresses KRAS-driven tumorigenesis and extends survival in aggressive PDAC mouse models, while also enhancing immunogenicity by promoting cytotoxic T lymphocyte recruitment. This compound is a valuable research tool for studying pancreatic ductal adenocarcinoma.
CAS Number
2344825-52-9
Field of Research
Epigenetics & Chromatin, Signal Transduction
Smiles
C (C) (N1C=2C (=C (NS (CC) (=O) =O) C=C (C2) C=3C4=C (N (C) C3) C (=O) NC=C4) C=C1) (C5=CC=CC=N5) C6=CC=CC=N6
Molecular Formula
C30H28N6O3S
Molecular Weight
552.65
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-{1-[1,1-di(pyridin-2-yl)ethyl]-6-(1-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-3-yl)-1H-indol-4-yl}ethanesulfonamide
CAS Number2344825-52-9
PubChem CID146036007
IUPAC NameN-[1-(1,1-dipyridin-2-ylethyl)-6-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]ethanesulfonamide
Molecular FormulaC30H28N6O3S
Molecular Weight552.6
XLogP2.9
Topological Polar Surface Area119
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count40
Formal Charge0
Complexity1040
SMILES
CCS(=O)(=O)NC1=C2C=CN(C2=CC(=C1)C3=CN(C4=C3C=CNC4=O)C)C(C)(C5=CC=CC=N5)C6=CC=CC=N6
InChI
InChI=1S/C30H28N6O3S/c1-4-40(38,39)34-24-17-20(23-19-35(3)28-21(23)11-15-33-29(28)37)18-25-22(24)12-16-36(25)30(2,26-9-5-7-13-31-26)27-10-6-8-14-32-27/h5-19,34H,4H2,1-3H3,(H,33,37)
InChIKey
LMLIBNUOIWAJFC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-{1-[1,1-di(pyridin-2-yl)ethyl]-6-(1-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-3-yl)-1H-indol-4-yl}ethanesulfonamide
CAS: 2344825-52-9
CID: 146036007
Formula: C30H28N6O3S
MW: 552.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight552.6
XLogP32.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass552.19435995
Monoisotopic Mass552.19435995
Topological Polar Surface Area119 Ų
Heavy Atom Count40
Formal Charge0
Complexity1040
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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