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XP-524

CAT: 0931-T63902-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T63902-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2344825-52-9
Target
Others, Ras, Epigenetic Reader Domain, Kras
Related Pathways
Chromatin/Epigenetic, Others, MAPK
Bioactivity
XP-524 is a potent inhibitor of BET and EP300. XP-524 has significant tumouricidal effects in vivo, preventing KRAS-induced tumour transformation in vivo and prolonging survival in two aggressive PDAC transgenic mouse models. XP-524 also enhances the expression of its own peptide and recruitment of tumour cells to cytotoxic T lymphocytes. XP-524 has shown potential for research in pancreatic ductal adenocarcinoma (PDAC) .
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
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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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Alternative Products

CatalogName
MBS5806567XP-524
A24435-10XP-524 10mg
A24435-5XP-524 5mg
A24435-50XP-524 50mg
A24435-1XP-524 1mg
HY-157993-01SAG-524
MBS3844155-01BAY-524
A19702-50BAY-524 50mg
A19702-10BAY-524 10mg
A19702-1BAY-524 1mg

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