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CPI-169 racemate

CAT: 0013-GTR19168061-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19168061-01Size:1 mg
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Description
CPI-169 is a highly potent and selective inhibitor of EZH2, demonstrating IC50 values of 0.24 nM for wild-type, 0.51 nM for the Y641N mutant, and 6.1 nM for EZH1. This compound is a valuable chemical probe for epigenetic research, enabling the study of histone methylation roles in cancer biology and other diseases in both cellular and animal models.
CAS Number
1450655-76-1
Product Name Alternative
CPI 169, CPI 169 racemate, CPI169, CPI-169, CPI169 racemate, CPI-169 racemate, EZH1, EZH2 WT, EZH2 Y641N, Epigenetic Reader Domain, EpigeneticReaderDomain, Histone Methyltransferase, HistoneMethyltransferase
Field of Research
Epigenetics & Chromatin
Purity
99.14% (May vary between batches)
Solubility
Ethanol:93 mg/mL (175.92 mM) ; H2O:< 1 mg/mL (insoluble or slightly soluble) ; DMSO:93 mg/mL (175.92 mM)
Smiles
CCS (=O) (=O) N1CCC (CC1) C (C) n1c (C) c (C (=O) NCc2c (OC) cc (C) [nH]c2=O) c2ccccc12
Molecular Formula
C27H36N4O5S
Molecular Weight
528.66
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(R)-1-(1-(1-(ethylsulfonyl)piperidin-4-yl)ethyl)-N-((4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-2-methyl-1H-indole-3-carboxamide

1-[1-(1-ethylsulfonyl-4-piperidinyl)ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-3-indolecarboxamide is an indolecarboxamide.

CAS Number1450655-76-1
PubChem CID78357814
IUPAC Name1-[1-(1-ethylsulfonylpiperidin-4-yl)ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide
Molecular FormulaC27H36N4O5S
Molecular Weight528.7
XLogP2.8
Topological Polar Surface Area118
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count37
Formal Charge0
Complexity1040
SMILES
CCS(=O)(=O)N1CCC(CC1)C(C)N2C(=C(C3=CC=CC=C32)C(=O)NCC4=C(C=C(NC4=O)C)OC)C
InChI
InChI=1S/C27H36N4O5S/c1-6-37(34,35)30-13-11-20(12-14-30)18(3)31-19(4)25(21-9-7-8-10-23(21)31)27(33)28-16-22-24(36-5)15-17(2)29-26(22)32/h7-10,15,18,20H,6,11-14,16H2,1-5H3,(H,28,33)(H,29,32)
InChIKey
LHGUZCKPFXXVPV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (R)-1-(1-(1-(ethylsulfonyl)piperidin-4-yl)ethyl)-N-((4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-2-methyl-1H-indole-3-carboxamide
CAS: 1450655-76-1
CID: 78357814
Formula: C27H36N4O5S
MW: 528.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight528.7
XLogP32.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass528.24064144
Monoisotopic Mass528.24064144
Topological Polar Surface Area118 Ų
Heavy Atom Count37
Formal Charge0
Complexity1040
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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